Cc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2cc1C ZINC000001330468 ID Annotated Anodyne CS(=O)(=O)NCc1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(F)cc1 ZINC000001341315 ID Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000001380890 ID Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C ZINC000001380896 ID Annotated Anodyne Cn1c(=O)c2c(nc(OC[C@H]3COC(C)(C)O3)n2Cc2ccccc2Cl)n(C)c1=O ZINC000010003385 ID Annotated Anodyne Cn1c(=O)c2c(nc(OC[C@@H]3COC(C)(C)O3)n2Cc2ccccc2Cl)n(C)c1=O ZINC000010003386 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H]3[C@H](CC[C@H]2C1=O)/C(=N/NC(=O)OCc1ccccc1)C[C@@H](O)[C@H]3O ZINC000100024040 ID Annotated Reactive CN(C)C(=O)[C@@H]([C@@H]1CC[C@@H](c2ccc3ncnn3c2)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1 ZINC000100035156 ID Annotated Anodyne in-vivo COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccnc1)N(C)[C@@H]2c1cccnc1 ZINC000100056103 ID Annotated Anodyne CC1=N/C(=N\Nc2cc([N+](=O)[O-])ccc2Cl)C(COP(=O)(O)O)=C(C=O)C1=O ZINC000100058506 ID Annotated Reactive in-vitro N[C@@H](CC(=O)c1cccc2c1NC1=C(CC(=O)c3nc(C(=O)O)cc(O)c31)O2)C(=O)O ZINC000100066032 ID Annotated Anodyne in-vitro N[C@H](CC(=O)c1cccc2c1NC1=C(CC(=O)c3nc(C(=O)O)cc(O)c31)O2)C(=O)O ZINC000100066035 ID Annotated Anodyne in-vitro CN(C)C(=O)[C@@H]([C@@H]1CC[C@H](c2cccc3ncnn23)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1 ZINC000100071166 ID Annotated Anodyne CN(C)C(=O)[C@@H]([C@@H]1CC[C@@H](c2cccc3ncnn23)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1 ZINC000100071167 ID Annotated Anodyne CN(C)C(=O)[C@@H]([C@@H]1CC[C@H](c2ccc3ncnn3c2)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1 ZINC000100071168 ID Annotated Anodyne N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3)cn2)[C@H]2CNC[C@H]21 ZINC000100082898 ID Annotated Mild NC[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@H]2CNC[C@H]21 ZINC000100082993 ID Annotated Anodyne N[C@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2CNC[C@@H]21 ZINC000100083001 ID Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccc([C@]4(C#N)[C@H]5CNC[C@H]54)nc3)c(F)c2)C(=O)O1 ZINC000100083005 ID Annotated Mild C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H]2C(=O)N[C@@](C)(O1)c1nc3ccccc3c(=O)n12 ZINC000100087472 ID Annotated Anodyne in-vitro C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1C(=O)c1ccncc1 ZINC000100099494 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(C(=O)c3cccnc3)[C@@H]21 ZINC000100099718 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)c2cccnc2)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100099842 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1C(=O)c1ccncc1 ZINC000100100090 ID Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)CN5CCOCC5)C[C@@H]3N4)cc2)cc1 ZINC000100101355 ID Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)CN5CCOCC5)C[C@@H]3N4)cc2)cc1 ZINC000100101392 ID Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)CN5CCOCC5)C[C@@H]3N4)cc2)c1 ZINC000100108423 ID Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)CN5CCOCC5)C[C@@H]3N4)cc2)c1 ZINC000100108428 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC2CCOCC2)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100139714 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(CC3CCOCC3)[C@@H]21 ZINC000100139717 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1CC1CCOCC1 ZINC000100140136 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1CC1CCOCC1 ZINC000100140139 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1C(=O)c1ccc(F)cc1 ZINC000100140446 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1C(=O)c1ccc(F)cc1 ZINC000100140449 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC(F)(F)F)[C@@H]2N1C(=O)CC ZINC000100141369 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC(F)(F)F)[C@H]2N1C(=O)CC ZINC000100141372 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCOC)[C@H]2N1Cc1ccccc1 ZINC000100141752 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCOC)[C@@H]2N1Cc1ccccc1 ZINC000100141753 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)Nc2nccs2)[C@@H]1CO ZINC000100142189 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3nccs3)N(C(=O)CC)[C@@H]21 ZINC000100142191 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(C(=O)C3CCOCC3)[C@@H]21 ZINC000100142288 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)C2CCOCC2)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100142290 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCOC)[C@@H]2N1Cc1nccs1 ZINC000100142874 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCOC)[C@H]2N1Cc1nccs1 ZINC000100142875 ID Annotated Anodyne COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 ZINC000100150573 ID Annotated Clean COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 ZINC000100150576 ID Annotated Clean CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](C(=O)O)OC(=O)[C@@H]5O[C@]543)[C@@]2(C)[C@@H](O)C[C@H]1O ZINC000100235372 ID Annotated Anodyne in-vitro CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@@H](CC[C@@]4(C)[C@H](C(=O)O)OC(=O)[C@@H]5O[C@]543)[C@@]2(C)[C@@H](O)C[C@H]1O ZINC000100235376 ID Annotated Anodyne in-vitro CC1(C)[C@H](O)C[C@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C(=O)O)OC(=O)[C@@H]3O[C@]321 ZINC000100235379 ID Annotated Anodyne in-vitro CC1(C)[C@H](O)C[C@H](O)[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C(=O)O)OC(=O)[C@@H]5O[C@]54[C@]3(C)C(=O)C[C@H]12 ZINC000100235383 ID Annotated Anodyne in-vitro COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000100280045 ID Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000100280050 ID Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000100280054 ID Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000100280058 ID Annotated Anodyne Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)s1 ZINC000100280801 ID Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)s1 ZINC000100280807 ID Annotated Anodyne CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=c4ccccc4=CC3=O)N2CC)s1 ZINC000100446160 ID Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000100449673 ID Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000100449677 ID Annotated Mild C/C(NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)=C1/C=CC=CC1=O ZINC000100494377 ID Annotated Reactive O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000100506724 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000100506727 ID Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000100506729 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000100506736 ID Annotated Anodyne C=C1C[C@@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@H]6[C@@]2(O)[C@H](OC(C)=O)[C@H]1[C@@H](O)[C@@H]73 ZINC000100660224 ID Annotated Mild C=C1C[C@@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@@H]6[C@@]2(O)[C@H](OC(C)=O)[C@H]1[C@@H](O)[C@@H]73 ZINC000100660227 ID Annotated Mild O=C1[C@H]2[C@H]([C@@H]3CC[C@@H]2[C@H]2C[C@@H]23)S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000100668026 ID Annotated Anodyne O=C1[C@@H]2[C@H]([C@@H]3CC[C@@H]2[C@H]2C[C@@H]23)S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000100668030 ID Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H]([C@H]4C[C@H]34)[C@@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000100668035 ID Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@H]([C@H]4C[C@@H]43)[C@@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000100668038 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2nc3c(=O)n(CC4CC4)c(=O)n(CC4CC4)c3[nH]2)cc1 ZINC000100740307 ID Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000100776828 ID Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC=C4[C@@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000100776831 ID Annotated Anodyne in-man endogenous CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000100776834 ID Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000100776835 ID Annotated Anodyne in-man endogenous C/C=C(/C=C(C)/C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000100777041 ID Annotated Mild in-man endogenous C/C=C(/C=C(C)/C=C(C)\C=C\C=C(/C)C(=O)[C@@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000100777042 ID Annotated Mild in-man endogenous CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O ZINC000100786431 ID Annotated Anodyne Cc1ccnc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@H](C)C(=O)[C@H](C)C3=O)cc2)n1 ZINC000100790044 ID Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@@H](C)C(=O)[C@H](C)C3=O)cc2)n1 ZINC000100790049 ID Annotated Mild Cc1nnc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@H](C)C(=O)[C@H](C)C3=O)cc2)s1 ZINC000100790071 ID Annotated Mild Cc1nnc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@@H](C)C(=O)[C@H](C)C3=O)cc2)s1 ZINC000100790075 ID Annotated Mild CCCCOC(=O)N[C@@H](CNC(=O)CC1=NO[C@H](c2ccc(C(=N)N)cc2)C1)C(=O)OC ZINC000100794708 ID Annotated Anodyne CCCCOC(=O)N[C@@H](CNC(=O)CC1=NO[C@@H](c2ccc(C(=N)N)cc2)C1)C(=O)OC ZINC000100794711 ID Annotated Anodyne COc1ccc(C(=O)CC(=O)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)cc1 ZINC000100805008 ID Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C4CSc5ccccc5N=C4C3=O)N1C[C@@H]1N[C@@H]12 ZINC000100805563 ID Annotated Mild C=C1[C@H]2C[C@@H]3[C@@H]4N5C[C@]6(C)[C@@H](O)[C@H](OC(=O)c7ccccc7)C[C@@]47[C@@H]6[C@@H]5C[C@@]3([C@@H]1O)[C@@]7(O)C2 ZINC000100897238 ID Annotated Mild in-vitro C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)[C@@H](O)[C@H](OC(=O)c7ccccc7)C[C@@]47[C@@H]6[C@@H]5C[C@@]3([C@@H]1O)[C@@]7(O)C2 ZINC000100897240 ID Annotated Mild in-vitro C=C(C)C(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@]12CO2 ZINC000100947965 ID Annotated Mild C=C(C)C(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@]12CO2 ZINC000100947968 ID Annotated Mild C=C(C)C(=O)O[C@H]1[C@@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@@](C)([C@@H]1OC(=O)CCl)[C@]21CO1 ZINC000100949597 ID Annotated Reactive C=C(C)C(=O)O[C@@H]1[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]3(CO3)[C@H]1O[C@@H]1C=C(C)CC[C@@]12CO ZINC000100949601 ID Annotated Reactive CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4ccc(Cl)cc4)C3=O)N1C[C@H]1N[C@H]12 ZINC000100961526 ID Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4ccc(Cl)cc4)C3=O)N1C[C@H]1N[C@H]12 ZINC000100961529 ID Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4cccc(Cl)c4)C3=O)N1C[C@H]1N[C@H]12 ZINC000100970142 ID Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4cccc(Cl)c4)C3=O)N1C[C@H]1N[C@H]12 ZINC000100970148 ID Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](N3CCOCC3)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000100999175 ID Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](N3CCOCC3)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000100999177 ID Annotated Anodyne COc1c(N2C[C@H]3[C@H](N)[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000101020735 ID Annotated Anodyne N[C@H]1[C@@H]2CN(c3c(F)cc(N4C[C@H](CNC(=O)C(Cl)Cl)OC4=O)cc3F)C[C@H]12 ZINC000101023660 ID Annotated Reactive O=c1c(I)cc(I)c2n1C[C@H]1CNC[C@H]2C1 ZINC000101031767 ID Annotated Anodyne O=c1c(I)cc(I)c2n1C[C@@H]1CNC[C@@H]2C1 ZINC000101031770 ID Annotated Anodyne COCCOc1cc2ncnc(/N=C3/C=C(O)C(NC[C@H](C)O)=CC3=O)c2cc1OC ZINC000101032343 ID Annotated Mild COCCOc1cc2ncnc(/N=C3/C=C(O)C(NC[C@@H](C)O)=CC3=O)c2cc1OC ZINC000101032344 ID Annotated Mild N#CCC(=O)NC[C@H]1CN(c2cc(F)c([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101036337 ID Annotated Mild O=C(O)C(=O)/C=C(\O)c1cn(Cc2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O ZINC000101036716 ID Annotated Mild C[S@](=O)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101037077 ID Annotated Anodyne C[S@@](=O)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101037080 ID Annotated Anodyne CC(F)(F)C(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101039164 ID Annotated Anodyne CS(=O)(=O)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077497 ID Annotated Anodyne C[C@@]12O[C@](C)(C[C@@H]1O)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12 ZINC000101136731 ID Annotated Mild C[C@@]12C[C@H](O)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12 ZINC000101136734 ID Annotated Mild COC(=O)[C@@H](C)N[P@@](=O)(OCC#CCn1cnc2c1NC=N[C@@H]2N)Oc1ccccc1 ZINC000101271451 ID Annotated Mild O=C1NC(=O)C(/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(O)cc2)C(=O)N1 ZINC000101279578 ID Annotated Mild CNC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000101288497 ID Annotated Anodyne CNC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000101288503 ID Annotated Anodyne N#Cc1cc2c(cc1N)[n+]([O-])c1ccc(/C=N/NC(=O)NCCc3ccccc3)cc1[n+]2[O-] ZINC000101316026 ID Annotated Reactive CC1=C[C@H]2O[C@H]3C(=O)[C@@H](OC(=O)CCl)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000101327744 ID Annotated Anodyne CC1=C[C@@H]2O[C@H]3C(=O)[C@@H](OC(=O)CCl)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000101327746 ID Annotated Anodyne CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000101334774 ID Annotated Reactive CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000101334778 ID Annotated Reactive CC1=C[C@H]2O[C@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000101337664 ID Annotated Reactive CC1=C[C@H]2O[C@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000101337670 ID Annotated Reactive CC(=O)OC[C@]12C[C@H](Br)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000101345398 ID Annotated Unstable CC(=O)OC[C@]12C[C@H](Br)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000101345401 ID Annotated Unstable CN1CCN(c2c(F)cc3c(=O)c(S(=O)(=O)O)c4scc5n4c3c2OC5)CC1 ZINC000101363782 ID Annotated Anodyne O=C(NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)c(F)c2)C(=O)O1)C(F)F ZINC000101379613 ID Annotated Anodyne O=C(NC[C@H]1CN(c2cc(F)c([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1)C1CC1 ZINC000101418478 ID Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@H]3[C@@H]([C@H]1[C@@]1(CO1)[C@H]2O)[C@@]12[C@@H](OC(C)=O)CC[C@@]4(C)CN(C)[C@H]1[C@@H]3C[C@@H]24 ZINC000101454026 ID Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@H]3[C@@H]([C@H]1[C@@]1(CO1)[C@H]2O)[C@@]12[C@@H](OC(C)=O)CC[C@@]4(C)CN(C)[C@@H]1[C@@H]3C[C@@H]24 ZINC000101454029 ID Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(N=C4C=CC(=N)C=C4)c(C)c(O)c3N1C[C@H]1N[C@@H]12 ZINC000101481964 ID Annotated Mild CCCNC(=O)c1ccc(C/N=c2/c(N3CCC(C(=O)OCC)CC3)c(O)c2=O)cc1 ZINC000101482436 ID Annotated Anodyne C[C@@]12O[C@](C)(C[C@H]1O)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12 ZINC000101488231 ID Annotated Mild C[C@@]12C[C@@H](O)[C@](C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12 ZINC000101488233 ID Annotated Mild O=C(/C=C(\O)P(=O)(O)O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O ZINC000101491802 ID Annotated Mild O=c1nc2n(c(O)c1[C@@H](c1ccc(F)cc1)c1c(O)nc3n(c1=O)CCS3)CCS2 ZINC000101491954 ID Annotated Anodyne Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O ZINC000101500490 ID Annotated Anodyne C=C(C)[C@H]1Cc2oc(cc2C=O)[C@H](O)[C@@](C)(O)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H](OC(C)=O)C1 ZINC000101571537 ID Annotated Mild C[C@@H](N[P@@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1)C(=O)OCCc1ccccc1 ZINC000101573989 ID Annotated Anodyne CO[C@@H]1C(=O)C[C@]23C[C@H](CC(C)=O)N(C)[C@@]24C[C@@H](O[C@]14OC)c1cc2c(cc13)OCO2 ZINC000101586300 ID Annotated Anodyne COC[C@@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c1ccc(NC=C2C(=O)C=CC2=O)cc1 ZINC000101634539 ID Annotated Mild COC[C@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c1ccc(NC=C2C(=O)C=CC2=O)cc1 ZINC000101640350 ID Annotated Mild Cc1cc(C)c2c(c1)N([C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)/C2=C1\Nc2ccccc2C1=O ZINC000101655676 ID Annotated Mild COc1ncc(-c2cc3c(C)nc(N)nc3n([C@@H]3CC[C@@H](OCC(N)=O)CC3)c2=O)cn1 ZINC000101675222 ID Annotated Anodyne COc1ncc(-c2cc3c(C)nc(N)nc3n([C@@H]3CC[C@H](OCC(N)=O)CC3)c2=O)cn1 ZINC000101675246 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O ZINC000101679458 ID Annotated Anodyne C=C(C)[C@H]1Cc2oc(cc2C=O)[C@@H](O)[C@@](C)(O)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H](OC(C)=O)C1 ZINC000101690844 ID Annotated Mild O=C(NCc1ccc(F)cc1)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1 ZINC000101713178 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C\c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000101739080 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000101739083 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C\c2ccc(O)cc2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101740218 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101740220 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C\c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000101740225 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000101740227 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C\c2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000101746395 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000101746398 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C\c2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101746401 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101746405 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C\c2ccc(F)cc2F)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101748811 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(F)cc2F)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000101748816 ID Annotated Anodyne COc1ccc(CNC(=O)C2CCC(C/N=c3/c(N4CCOCC4)c(O)c3=O)CC2)cc1 ZINC000101830763 ID Annotated Anodyne Cc1cs/c(=N\C=c2/s/c(=C\c3sc4ccc(F)cc4[n+]3C)n(C)c2=O)n1C ZINC000101845650 ID Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1CN(S(=O)(=O)C1CC1)C2 ZINC000101864344 ID Annotated Anodyne CCS(=O)(=O)N1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101872482 ID Annotated Anodyne Cc1c2c(nc3[nH]c(=S)n(-c4ccc(S(=O)(=O)NC(=N)N)cc4)c(=N)c13)CCCC2 ZINC000101880454 ID Annotated Anodyne COc1ccccc1CNC(=O)C1CCC(C/N=c2/c(N3CCOCC3)c(O)c2=O)CC1 ZINC000101900713 ID Annotated Anodyne Cc1ccc(CNC(=O)C2CCC(C/N=c3/c(N4CCOCC4)c(O)c3=O)CC2)cc1 ZINC000101926215 ID Annotated Anodyne Cc1ccc(C(c2c(O)n3c(nc2=O)SCC3)c2c(O)n3c(nc2=O)SCC3)cc1 ZINC000101950724 ID Annotated Anodyne Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)[C@H]2CC(=O)N1CCc2ccccc2C1 ZINC000101961003 ID Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000101972149 ID Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000101972152 ID Annotated Mild O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000102026710 ID Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccccc2)[C@H]31 ZINC000102026720 ID Annotated Anodyne COC(=O)[C@H](C)NC1=C(Cl)C(=O)C(N[C@@H](CCSC)C(=O)OC)=C(Cl)C1=O ZINC000102047763 ID Annotated Mild C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+]([O-])c(C(=O)Nc1ccccc1)c(C)[n+]2[O-] ZINC000102050050 ID Annotated Mild COC(=O)C(=O)NC1=C(C#N)[C@@H]2[C@H](N3CCCC3)CCCCN2C(=O)N1c1ccccc1 ZINC000102072403 ID Annotated Reactive COC(=O)C(=O)NC1=C(C#N)[C@H]2[C@H](N3CCCC3)CCCCN2C(=O)N1c1ccccc1 ZINC000102072410 ID Annotated Reactive COC(=O)C(=O)NC1=C(C#N)[C@@H]2[C@@H](N3CCCC3)CCCCN2C(=O)N1c1ccccc1 ZINC000102072417 ID Annotated Reactive COC(=O)C(=O)NC1=C(C#N)[C@H]2[C@@H](N3CCCC3)CCCCN2C(=O)N1c1ccccc1 ZINC000102072419 ID Annotated Reactive O=C(NCCCN1CCOCC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000102127631 ID Annotated Anodyne Cc1cn(C)/c(=N/C=c2\s/c(=C\c3sc4ccc(F)cc4[n+]3C)n(C)c2=O)s1 ZINC000102142998 ID Annotated Anodyne C=C(C)C(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@]12CO2 ZINC000102180251 ID Annotated Anodyne C=C(C)C(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@]12CO2 ZINC000102180257 ID Annotated Anodyne COc1ccccc1/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@]1(OC)[C@H]2COC(N)=O ZINC000102224250 ID Annotated Mild COc1ccccc1/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@@]1(OC)[C@H]2COC(N)=O ZINC000102224253 ID Annotated Mild COc1ccc(CNC(=O)C2CCC(C/N=c3\c(N4CCOCC4)c(O)c3=O)CC2)cc1 ZINC000102236624 ID Annotated Anodyne COc1ccc(OC)c(NC2=CC(=O)c3c(c(C)nc4c3c(=O)n(C)c(=O)n4C)C2=O)c1 ZINC000102258924 ID Annotated Mild Cc1nc2c(c3c1C(=O)C(NC14CC5CC(CC(C5)C1)C4)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000102265296 ID Annotated Mild O=c1nc2n(c(O)c1[C@@H](c1ccc(O)cc1)c1c(O)nc3n(c1=O)CCS3)CCS2 ZINC000102490426 ID Annotated Anodyne O=c1nc2n(c(O)c1[C@H](c1ccc(O)cc1)c1c(O)nc3n(c1=O)CCS3)CCS2 ZINC000102490430 ID Annotated Anodyne CC1(C)CC(=O)C/C(=N\NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000102650653 ID Annotated Reactive COc1ccccc1CNC(=O)C1CCC(C/N=c2\c(N3CCOCC3)c(O)c2=O)CC1 ZINC000102653421 ID Annotated Anodyne CC1=C(Sc2cccc(I)c2)[C@H](COCCO)C(=O)NC1=O ZINC000102816274 ID Annotated Anodyne CC1=C(Sc2cccc(I)c2)[C@@H](COCCO)C(=O)NC1=O ZINC000102816276 ID Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](C2)(C[C@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]23C)[C@@H]1OC(C)=O ZINC000102825275 ID Annotated Mild CC[C@@H](c1ccccc1)n1c(=O)n2n(c1=O)[C@H]1[C@H](O)[C@H]3O[C@@H]3/C(=N/OCC(C)C)[C@@H]1CC2 ZINC000102832446 ID Annotated Mild O=c1n(-c2ccccc2)c(=O)n2n1CC[C@H]1/C(=N\OCc3ccccc3)[C@H]3O[C@@H]3[C@@H](O)[C@@H]12 ZINC000102839367 ID Annotated Mild CCN1C(=O)[C@H]2CC[C@@H]3/C(=N\NC(=O)OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102841054 ID Annotated Reactive CCOC(=O)N1CCC(/N=c2/c(O)c(O)/c2=N/CCCN(C)Cc2ccccc2)CC1 ZINC000102874734 ID Annotated Anodyne aggregator CC(=O)NCC[C@H](NC(=O)CC[C@]1(C)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@]4(C)C2)[C@H]31)C(=O)O ZINC000102891655 ID Annotated Mild CC(=O)NCC[C@H](NC(=O)CC[C@]1(C)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@]4(C)C2)[C@@H]31)C(=O)O ZINC000102891659 ID Annotated Mild CC(=O)NCC[C@H](NC(=O)CC[C@]1(C)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@]4(C)C2)[C@H]31)C(=O)O ZINC000102891661 ID Annotated Mild CC(=O)NCC[C@H](NC(=O)CC[C@]1(C)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@]4(C)C2)[C@@H]31)C(=O)O ZINC000102891663 ID Annotated Mild COc1ccc(/C=c2/s/c(=C3\C(=O)Nc4cc(F)ccc43)n(CCN(C)C)c2=O)cc1 ZINC000102903213 ID Annotated Anodyne COc1ccc(/C=c2\s/c(=C3\C(=O)Nc4cc(F)ccc43)n(CCN(C)C)c2=O)cc1 ZINC000102903215 ID Annotated Anodyne CN(C)C(=O)C(F)(F)[C@@H](c1ccc(Br)cc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000102915778 ID Annotated Anodyne COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000102918259 ID Annotated Anodyne COC(=O)[C@]1(CCC(=O)N(C)c2ccccc2)NN[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000102922420 ID Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]1[C@@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@@H]3[C@@H]5[C@H]1O)C(=O)[C@@H]42 ZINC000102923541 ID Annotated Anodyne COC(=O)[C@]12O[C@@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)[C@@H](CC(=O)OC(C)(C)C)C2=O ZINC000102933202 ID Annotated Anodyne CN(C)C(=O)C(F)(F)[C@@H](c1ccccc1Br)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000102947473 ID Annotated Anodyne CC(C)N(C(=O)C12[C@@H]3[C@@H]4C5(C(=O)O)[C@H]([C@@H]1C35I)C42C(=O)O)C(C)C ZINC000102955012 ID Annotated Anodyne CC(C)N(C(=O)C12[C@@H]3[C@@H]4C5(C(=O)O)[C@H]([C@H]1C35I)C42C(=O)O)C(C)C ZINC000102955013 ID Annotated Anodyne CC(C)N(C(=O)C12[C@@H]3[C@@H]4C5(C(=O)O)[C@@H]([C@@H]1C35I)C42C(=O)O)C(C)C ZINC000102955015 ID Annotated Anodyne CC(C)N(C(=O)C12[C@@H]3[C@@H]4C5(C(=O)O)[C@@H]([C@H]1C35I)C42C(=O)O)C(C)C ZINC000102955016 ID Annotated Anodyne CO[C@H]1CC(=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@]23C(C(=O)c2ccccc2)=C(C)N[C@@]13O ZINC000102970701 ID Annotated Mild CO[C@H]1CC(=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@]23C(C(=O)c2ccccc2)=C(C)N[C@@]13O ZINC000102970703 ID Annotated Mild CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccccc3)c2)[nH]c1=O ZINC000102971546 ID Annotated Anodyne Cn1c(N)[n+](C(=O)OCc2ccccc2)c(=O)c2c1ncn2C(=O)OCc1ccccc1 ZINC000102978502 ID Annotated Clean C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C(P(=O)(O)O)P(=O)(O)O ZINC000102982088 ID Annotated Mild O=c1oc2cc3ncnc(N[C@@H]4CC[C@@H](O)CC4)c3cc2n1CCCN1CCOCC1 ZINC000102990934 ID Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(C(=O)c3ccccc3)cc2)[nH]c1=O ZINC000102992766 ID Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc([C@H](O)c3ccccc3)c2)[nH]c1=O ZINC000102992773 ID Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc([C@@H](O)c3ccccc3)c2)[nH]c1=O ZINC000102992778 ID Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc3c(c2)C(=O)c2ccccc2-3)[nH]c1=O ZINC000102992783 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5C(=C[C@@H](O[C@@H]13)[C@H]24)[C@H](O)[C@@H]6OC ZINC000102994420 ID Annotated Anodyne CSC1=Nc2c(c(C)c(C)n2CCCC(=O)NCCc2cnc[nH]2)C2=NC(=O)CN12 ZINC000103006732 ID Annotated Anodyne O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ncccn2)CC1 ZINC000103009815 ID Annotated Anodyne C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)C=C(NCCc1ccc(O)cc1)C3=O ZINC000103025290 ID Annotated Mild O=C(O)CNC(=O)c1cc([125I])cc([125I])c1 ZINC000103033921 ID Annotated Anodyne O=C(O)CNC(=O)c1cc([131I])cc([131I])c1 ZINC000103036762 ID Annotated Anodyne CC(=O)OC[C@H]1C[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)C[C@H]1COC(C)=O ZINC000103099811 ID Annotated Anodyne CC(=O)OC[C@H]1C[C@H](n2cc(C)c(=O)n(C(=O)c3ccccc3)c2=O)C[C@H]1COC(C)=O ZINC000103101004 ID Annotated Anodyne CCOC(=O)[C@H]1C[C@H](n2cc(C)c(=O)n(C(=O)c3ccccc3)c2=O)C[C@H]1C(=O)OCC ZINC000103101386 ID Annotated Anodyne CCOC(=O)[C@H]1C[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)C[C@H]1C(=O)OCC ZINC000103103055 ID Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]5C[C@H]6[C@H](OC(C)=O)[C@H]5[C@@](O)(C[C@H]6OC)[C@H](C[C@@H]32)[C@@H]14 ZINC000103109962 ID Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN(CC(=O)N(C)OC)[C@H]1CC2(OC)OC ZINC000103132708 ID Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@]3(O)O[C@@H]2OCCCC ZINC000103139253 ID Annotated Mild C=C1[C@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@@H]2CCC(C)(C)[C@H]4[C@H](O)O[C@H](OC)[C@@]324)[C@@H]1OC(C)=O ZINC000103139267 ID Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000103139269 ID Annotated Mild COC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(C)C ZINC000103146420 ID Annotated Anodyne COc1cccc2c1C(=O)C(NCCOC(=O)[C@H](CCSC)NC(C)=O)=C(C)C2=O ZINC000103173284 ID Annotated Mild O=C(N[C@H](C(=O)O)c1ccc(CN2C=NNN2)s1)[C@H](CS)CCc1ccccc1 ZINC000103186449 ID Annotated Mild O=C(N[C@H](C(=O)O)c1ccc(CN2C=NNN2)s1)[C@@H](CS)CCc1ccccc1 ZINC000103186451 ID Annotated Mild O=C(O)[C@H](NC(=O)[C@H](CS)CCc1ccccc1)c1ccc(CN2C=NNN2)s1 ZINC000103186452 ID Annotated Mild O=C(N[C@@H](C(=O)O)c1ccc(CN2C=NNN2)s1)[C@@H](CS)CCc1ccccc1 ZINC000103186454 ID Annotated Mild O=[N+]([O-])c1cnc(N2CCN(Cn3nc(-c4ccncc4)oc3=S)CC2)n1CCO ZINC000103188987 ID Annotated Bother COc1nc(NC(=O)NS(=O)(=O)Cc2sccc2COCCF)nc(OC)n1 ZINC000103192941 ID Annotated Anodyne COc1cccc(C(F)(F)F)c1S(=O)(=O)Nc1nc2c(OC)cnc(OC)n2n1 ZINC000103194086 ID Annotated Anodyne CSc1cc(SC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1 ZINC000103196910 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N(N=O)[C@H](c2ccco2)[C@H](C(=O)OCC)S1(=O)=O ZINC000103210892 ID Annotated Anodyne CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000103213828 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CC(C)(C)O)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3OC ZINC000103216906 ID Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2[C@@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 ZINC000103219877 ID Annotated Reactive COc1ccc([C@@H]2SCC(=O)N2[C@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 ZINC000103219882 ID Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2ccc[nH]2)N(N=O)[C@H](c2ccc[nH]2)[C@H](C(=O)OCC)S1(=O)=O ZINC000103221200 ID Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3C(=O)[C@H](O)[C@@H]12 ZINC000103226631 ID Annotated Anodyne COC(=O)[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3C(=O)C[C@H]21 ZINC000103226638 ID Annotated Anodyne O=C(O)CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)NCCS(=O)(=O)O ZINC000103229801 ID Annotated Reactive N#C/N=C(\NCc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H](C2)O3)cc1)Nc1ccncc1 ZINC000103230449 ID Annotated Mild N#C/N=C(\NCc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)O3)cc1)Nc1ccncc1 ZINC000103230452 ID Annotated Mild N#C/N=C(\NCc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H](C2)O3)cc1)Nc1ccncc1 ZINC000103230455 ID Annotated Mild Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(Br)cc3)c2C)c(N)n1 ZINC000103231825 ID Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccccc3Br)c2C)c(N)n1 ZINC000103231856 ID Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c(N)n1 ZINC000103231857 ID Annotated Reactive Cn1c(N)c([C@@H](c2ccc(C#N)cc2)c2c(O)c3cc(F)ccc3oc2=O)c(=O)n(C)c1=O ZINC000103237032 ID Annotated Mild Cn1c(N)c([C@H](c2ccc(C#N)cc2)c2c(O)c3cc(F)ccc3oc2=O)c(=O)n(C)c1=O ZINC000103237033 ID Annotated Mild Cc1cc(O)c([C@@H](c2ccc(C(F)(F)F)cc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)o1 ZINC000103237758 ID Annotated Anodyne Cc1cc(O)c([C@H](c2ccc(C(F)(F)F)cc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)o1 ZINC000103237760 ID Annotated Anodyne Cc1ccc2oc(=O)c([C@@H](c3ccc(C#N)cc3)c3c(N)n(C)c(=O)n(C)c3=O)c(O)c2c1 ZINC000103237769 ID Annotated Mild Cc1ccc2oc(=O)c([C@H](c3ccc(C#N)cc3)c3c(N)n(C)c(=O)n(C)c3=O)c(O)c2c1 ZINC000103237771 ID Annotated Mild CC1=CC2=C(Cc3c(O)c(C)c4c(c3O)C(=O)O[C@H](C)C4)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000103237813 ID Annotated Mild CC1=CC2=C(Cc3c(O)c(C)c4c(c3O)C(=O)O[C@@H](C)C4)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000103237815 ID Annotated Mild CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCC(=O)N2)c1 ZINC000103239963 ID Annotated Anodyne COc1cc2c3c(n(C[C@H](O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000103239996 ID Annotated Clean COc1cc2c3c(n(C[C@@H](O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000103239998 ID Annotated Clean CCOC[C@@H]1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240347 ID Annotated Anodyne CCOC[C@H]1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240350 ID Annotated Anodyne N#CCNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1C(=O)N1CCOCC1 ZINC000103242383 ID Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@H](NC(=O)c3cccnc3)C[C@@H]2C(=O)NO)cc1OC ZINC000103249790 ID Annotated Bother COc1ccc(/C=C/C(=O)N2C[C@H](NC(=O)c3cccnc3)C[C@H]2C(=O)NO)cc1OC ZINC000103249794 ID Annotated Bother COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)CCO)c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000103250724 ID Annotated Bother C=CC(=O)Nc1ccnc(Sc2c(OC)nc(N3CC[N+](C)([O-])CC3)nc2OC)n1 ZINC000103254894 ID Annotated Bother NCCCn1cc(-c2ccc3ccc4ccc(-c5cn(CCCN)nn5)nc4c3n2)nn1 ZINC000103257642 ID Annotated Bother COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1 ZINC000103261983 ID Annotated Anodyne COC(=O)[C@H](O)CS[C@H]1CCC[C@H](C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1 ZINC000103273735 ID Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@@H](C)C(=O)OCCO)CN1C ZINC000103273879 ID Annotated Anodyne CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1 ZINC000103279135 ID Annotated Anodyne CCOP(=O)(CCCCn1cc(Cn2ccc(NC(C)=O)nc2=O)nn1)OCC ZINC000103281643 ID Annotated Anodyne COc1ccc(-c2cnn3c(=O)[nH]c(SCc4[nH]c(=O)[nH]c(=O)c4Cl)nc23)cc1 ZINC000103288820 ID Annotated Anodyne CCOc1ccc(-c2cnn3c(=O)[nH]c(SCc4[nH]c(=O)[nH]c(=O)c4Cl)nc23)cc1 ZINC000103288822 ID Annotated Anodyne COc1ccc(-c2cc3nc(SCc4[nH]c(=O)[nH]c(=O)c4Cl)[nH]c(=O)n3n2)cc1 ZINC000103288838 ID Annotated Anodyne CCOc1ccc(-c2cc3nc(SCc4[nH]c(=O)[nH]c(=O)c4Cl)[nH]c(=O)n3n2)cc1 ZINC000103288841 ID Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@H]2OC(C)(C)O[C@]31OC[C@]42C(=O)C(C=O)=CC(C)(C)[C@H]2[C@@H]1O ZINC000103292730 ID Annotated Reactive COc1ccc(CN2C(=O)N[C@H]3[C@@H]4NC(=O)c5ccc(Br)n5[C@@H]4C[C@]32O)cc1 ZINC000103301513 ID Annotated Anodyne CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103429488 ID Annotated Mild CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(COC)C(C(=O)O)=C3C1 ZINC000103524673 ID Annotated Anodyne in-vitro biogenic CNC[C@@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@H]3CCC[C@@H]4[C@@](O)(C=O)C(C(=O)O)=C(C1)[C@]432 ZINC000103524700 ID Annotated Mild in-vitro biogenic CCOC[C@]1(O)C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@@]31CN(C(=N)NC)C=C[C@@H]1CNC ZINC000103524725 ID Annotated Anodyne in-vitro biogenic CN/C1=N/CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@](O)(COC)C(C(=O)O)=C3C[C@@H]2[C@]42CC=CN1C2 ZINC000103524829 ID Annotated Mild in-vitro biogenic CNCCNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(COC)C(C(=O)O)=C3C1 ZINC000103524871 ID Annotated Anodyne in-vitro biogenic Cc1ccsc1CCNC(=O)C1CCC(C/N=c2/c(N3CCOCC3)c(O)c2=O)CC1 ZINC000103533670 ID Annotated Anodyne CCN1CCN(C(=O)C2CCC(C/N=c3/c(N4CCC(C)CC4)c(O)c3=O)CC2)CC1 ZINC000103533697 ID Annotated Anodyne CN(C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000103772993 ID Annotated Anodyne CN(C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000103772998 ID Annotated Anodyne O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000103773005 ID Annotated Anodyne O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000103773010 ID Annotated Anodyne C[C@]1(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C2CC2)CCS(=O)(=O)C1 ZINC000103773724 ID Annotated Anodyne C[C@@]1(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C2CC2)CCS(=O)(=O)C1 ZINC000103773731 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H]3[C@H](CC[C@H]2C1=O)/C(=N\NC(=O)OCc1ccccc1)C[C@@H](O)[C@H]3O ZINC000103854652 ID Annotated Reactive C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@@](C)(O)[C@@H]1OC(=O)C(=C)C ZINC000103885302 ID Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)[C@@H](OC(C)=O)/C(C(=O)OC)=C/CC[C@]1(C)O[C@H]21 ZINC000103885773 ID Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)[C@H](OC(C)=O)/C(C(=O)OC)=C/CC[C@]1(C)O[C@H]21 ZINC000103885777 ID Annotated Mild CC[C@@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000103941912 ID Annotated Clean COC1(OC)C(N2CCOCC2)=C(Cl)C(=O)/C1=C(/C=C/N1CCOCC1)C(C)=O ZINC000103949469 ID Annotated Mild COCCN1C(SCC(=O)N(C(C)C)C(C)C)=NN/C1=C1\C=c2ccccc2=CC1=O ZINC000103990145 ID Annotated Mild O=C1C([N+](=O)[O-])=CC(Br)=C/C1=C\NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 ZINC000104004006 ID Annotated Mild Cc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCCN4CCOCC4)=CC3=N2)cc1 ZINC000104010455 ID Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCCN4CCOCC4)=CC3=N2)cc1 ZINC000104010461 ID Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCCN4CCOCC4)=CC3=N2)cc1 ZINC000104010467 ID Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCCN4CCOCC4)=CC3=N2)cc1 ZINC000104010472 ID Annotated Anodyne CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104024270 ID Annotated Anodyne CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104024275 ID Annotated Anodyne Nc1nonc1C(=O)NCCN/C=C1\C=C(Cc2ccccc2)C=C(Br)C1=O ZINC000104029737 ID Annotated Mild O=C(NCCN1CCOCC1)C1=CC2=N[C@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000104030471 ID Annotated Anodyne O=C(NCCN1CCOCC1)C1=CC2=N[C@@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000104030475 ID Annotated Anodyne O=C(NCCN1CCOCC1)C1=CC2=N[C@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000104030481 ID Annotated Anodyne O=C(NCCN1CCOCC1)C1=CC2=N[C@@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000104030486 ID Annotated Anodyne O=C(NCCN1CCOCC1)C1=CNN2C1=N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000104032925 ID Annotated Anodyne O=C(NCCN1CCOCC1)C1=CNN2C1=N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000104032929 ID Annotated Anodyne O=C(NCCN1CCOCC1)C1=CNN2C1=N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000104032933 ID Annotated Anodyne O=C(NCCN1CCOCC1)C1=CNN2C1=N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000104032940 ID Annotated Anodyne CCN(C(=O)CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000104078082 ID Annotated Anodyne CCN(C(=O)CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)[C@H]1CCS(=O)(=O)C1 ZINC000104078087 ID Annotated Anodyne O=c1nc2n(c(O)c1C(c1ccc(F)cc1)c1c(O)n3c(nc1=O)SCC3)CCS2 ZINC000104108981 ID Annotated Anodyne O=c1nc2n(c(O)c1C(c1ccc(O)cc1)c1c(O)n3c(nc1=O)SCC3)CCS2 ZINC000104124599 ID Annotated Anodyne O=c1nc2n(c(O)c1C(c1ccccc1)c1c(O)n3c(nc1=O)SCC3)CCS2 ZINC000104145860 ID Annotated Anodyne CCC/N=C1/N(CC)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C(=O)OC)N12 ZINC000104188740 ID Annotated Mild CCC/N=C1/N(C)C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N12 ZINC000104188760 ID Annotated Mild CCC/N=C1/N(CC)C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12 ZINC000104188768 ID Annotated Mild CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@](O)([C@@H]4O)[C@@H](O)[C@]56O)[C@]3(C)CC[C@]2(C)C=C1 ZINC000104359975 ID Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@](O)([C@@H]4O)[C@@H](O)[C@]56O)[C@]3(C)CC[C@]2(C)C=C1 ZINC000104359979 ID Annotated Anodyne in-man C/C=C(/C=C(C)/C=C(C)\C=C\C=C(/C)C(=O)[C@@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000104360885 ID Annotated Mild in-man C/C=C(/C=C(C)/C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000104360889 ID Annotated Mild in-man endogenous C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000104405768 ID Annotated Mild CC(C)N1C(=O)[C@H]2[C@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000104410632 ID Annotated Anodyne COCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000105236933 ID Annotated Anodyne O=C1/C=C/[C@]23CC[C@H](O)C[C@H]2Oc2ccc(cc23)/C=C/C(=O)NCCCNCCCCN1 ZINC000105325409 ID Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1c(N)c(C#N)c(C)c(C#N)c1=S ZINC000105530914 ID Annotated Mild CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(C)=O ZINC000108277223 ID Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)[C@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000108702013 ID Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)[C@@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000108702017 ID Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)[C@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000108702020 ID Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)[C@@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000108702024 ID Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 ZINC000110684453 ID Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 ZINC000110684456 ID Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 ZINC000110684462 ID Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 ZINC000110684466 ID Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccccc2F)cc1 ZINC000110686634 ID Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccccc2F)cc1 ZINC000110686637 ID Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCNCC3)[C@@H]2c2ccccc2F)cc1 ZINC000110686640 ID Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCNCC3)[C@@H]2c2ccccc2F)cc1 ZINC000110686643 ID Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)c1cccs1 ZINC000110760242 ID Annotated Bother O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1cccs1 ZINC000110760246 ID Annotated Bother C/C=C(\C=C(C)\C=C(C)\C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000111385367 ID Annotated Mild Cc1nc(-n2cnn(Cc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cn(C)cn1 ZINC000113380106 ID Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCN(S(C)(=O)=O)CC3)n2)cc1 ZINC000113413993 ID Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCN(S(C)(=O)=O)CC3)n2)cc1 ZINC000113413996 ID Annotated Mild COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cn(C)cn5)C4)c3C2)cc1C ZINC000113567956 ID Annotated Anodyne COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)c5cn(C)cn5)C4)c3C2)cc1C ZINC000113568053 ID Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cncn5C)C4)c3C2)cc1C ZINC000113568215 ID Annotated Anodyne N#Cc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cnc1N ZINC000113568842 ID Annotated Mild COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cn1 ZINC000113569473 ID Annotated Anodyne COc1ccc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cn1 ZINC000113570412 ID Annotated Anodyne Cc1cc(CNC(=O)c2sc(-n3cnn(Cc4ccc(F)cc4)c3=O)nc2C)[nH]n1 ZINC000113633464 ID Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccnn3C)n[nH]c2C1(C)C ZINC000114183997 ID Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cnn5c4CNCC5)c3)ncnc12 ZINC000114349567 ID Annotated Anodyne COc1cc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1C#CC1CC1 ZINC000114954847 ID Annotated Anodyne CSCC(=O)NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000011524786 ID Annotated Anodyne COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCn4ccc(=O)[nH]c4=O)C3)C2)c1 ZINC000011661420 ID Annotated Anodyne COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CCn4ccc(=O)[nH]c4=O)C3)C2)c1 ZINC000011661421 ID Annotated Anodyne CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCc1ccc(=O)[nH]n1 ZINC000011661571 ID Annotated Anodyne CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCc1ccc(=O)[nH]n1 ZINC000011661572 ID Annotated Anodyne CCCCOC(=O)N[C@@H](CNC(=O)C[C@@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)OC ZINC000011682499 ID Annotated Anodyne CC#CCn1c(N2CCCNCC2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 ZINC000011687778 ID Annotated Mild CC[C@H]1C(=O)NCCN1C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O ZINC000011968130 ID Annotated Anodyne CC[C@@H]1C(=O)NCCN1C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O ZINC000011968140 ID Annotated Anodyne CC[C@H]1C(=O)NCCN1C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O ZINC000011968146 ID Annotated Anodyne CC[C@@H]1C(=O)NCCN1C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O ZINC000011968152 ID Annotated Anodyne COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(N2CCCC2)c2cc(OC)c(OC)cc2n1 ZINC000011978791 ID Annotated Anodyne COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(N2CCCC2)c2cc(OC)c(OC)cc2n1 ZINC000011978800 ID Annotated Anodyne COC(=O)N[C@@H](C)CNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115139837 ID Annotated Anodyne COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC[C@H](C)NS(C)(=O)=O)n2)cc1OC ZINC000115622057 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCO[C@@H](CO)C3)c2c1=O ZINC000115622059 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCO[C@H](CO)C3)c2c1=O ZINC000115622061 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(OC[C@H]4CCCN4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115622110 ID Annotated Anodyne C[C@@H](CNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12)NS(C)(=O)=O ZINC000115622260 ID Annotated Anodyne COCCNc1nc(-c2ccc(NCCN3CCOCC3)nc2)cc2ncn(C)c(=O)c12 ZINC000115622276 ID Annotated Anodyne CC(C)Nc1nc(-c2ccc(N3CCN(C(=O)CO)CC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115622333 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(OCCc4c[nH]nn4)n3)cc2)CC1 ZINC000115622664 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@@H]3CCS(=O)(=O)C3)c2c1=O ZINC000115622674 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@H]3CCS(=O)(=O)C3)c2c1=O ZINC000115622675 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@@H](N(C)C)C4)n3)cc2)CC1 ZINC000115622856 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](N(C)C)C4)n3)cc2)CC1 ZINC000115622858 ID Annotated Anodyne CC(C)Nc1nc(-c2ccc3c(c2)S(=O)(=O)CC(=O)N3C)cc2ncn(C)c(=O)c12 ZINC000115623048 ID Annotated Anodyne C[C@@H](CO)Nc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O ZINC000115623056 ID Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(N3CC[C@H](CO)C3)n2)cc1S(C)(=O)=O ZINC000115624096 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(NCCO)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O ZINC000115624152 ID Annotated Anodyne COCC(=O)N[C@@H](C)CNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115624154 ID Annotated Anodyne CCNc1nc(-c2ccc(N[C@@H](C)CO)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115624201 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CCC[C@@H](CO)C4)n3)cc2)CC1 ZINC000115624259 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCN(CCO)CC3)c2c1=O ZINC000115624325 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCS(C)(=O)=O)c2c1=O ZINC000115624331 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CCC[C@@H](O)C4)n3)cc2)CC1 ZINC000115624465 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CCC[C@H](O)C4)n3)cc2)CC1 ZINC000115624467 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)cc2)CC1 ZINC000115624509 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CCO)C4)n3)cc2)CC1 ZINC000115624582 ID Annotated Anodyne COCC(=O)N[C@@H](C)CNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12 ZINC000115624624 ID Annotated Anodyne C[C@H](O)CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O ZINC000115624662 ID Annotated Anodyne COCCNc1nc(-c2ccc(S(=O)(=O)CCN(C)C)cc2)cc2ncn(C)c(=O)c12 ZINC000115624787 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)c(F)c3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624808 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CCC[C@H](CO)C4)n3)cc2)CC1 ZINC000115625042 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC[C@H]3CNC(=O)O3)c2c1=O ZINC000115625102 ID Annotated Anodyne CN1CCS(=O)(=O)c2cc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)ccc21 ZINC000115625108 ID Annotated Anodyne CCN1CCN(C(=O)Cn2cc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cn2)CC1 ZINC000115625134 ID Annotated Anodyne CC(C)Nc1nc(-c2ccc(NCCO)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115625291 ID Annotated Anodyne CCNc1nc(-c2ccc(NC[C@@H](C)O)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115625298 ID Annotated Anodyne COCCNc1nc(-c2ccc3c(c2)S(=O)(=O)CCN3C)cc2ncn(C)c(=O)c12 ZINC000115625322 ID Annotated Anodyne CN(C)CCS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000115625324 ID Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1S(C)(=O)=O ZINC000115625327 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(OC[C@@H]4CCCN4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115625350 ID Annotated Anodyne C[C@H](CO)Nc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O ZINC000115625360 ID Annotated Anodyne C[C@@H](O)CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O ZINC000115625511 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@@H](CO)C4)n3)cc2)CC1 ZINC000115625617 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3c[nH]nn3)c2c1=O ZINC000115626031 ID Annotated Anodyne COCC(=O)NCCNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12 ZINC000115626176 ID Annotated Anodyne CC(C)Nc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12 ZINC000115626185 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC5(COC5)C4)n3)cc2)CC1 ZINC000115626218 ID Annotated Anodyne CCNc1nc(-c2ccc(NC[C@H](C)O)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115626255 ID Annotated Anodyne COCC(=O)NCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12 ZINC000115626351 ID Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCc4c[nH]nn4)n3)cc2)CC1 ZINC000115626492 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@@](F)(CO)C3)c2c1=O ZINC000115626652 ID Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@](F)(CO)C3)c2c1=O ZINC000115626653 ID Annotated Anodyne CCNc1nc(-c2ccc(N[C@H](C)CO)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115626688 ID Annotated Anodyne CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)cc2)CC1 ZINC000115626831 ID Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 ZINC000115627115 ID Annotated Anodyne CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)c(S(N)(=O)=O)c2)c(O)cc1O ZINC000115807233 ID Annotated Anodyne COc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(-n2ccnn2)cc1OC ZINC000116826821 ID Annotated Anodyne COc1cc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(-n2ccnn2)cc1OC ZINC000116826822 ID Annotated Anodyne COc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c(-n2ccnn2)cc1OC ZINC000116826824 ID Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CN(c4cc(N(C)C)nc(C)n4)C[C@@H]3C2)c(-n2nccn2)c1 ZINC000116828408 ID Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4cc(N(C)C)nc(C)n4)C[C@@H]3C2)c(-n2nccn2)c1 ZINC000116828410 ID Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CN(c4cc(N(C)C)nc(C)n4)C[C@H]3C2)c(-n2nccn2)c1 ZINC000116828412 ID Annotated Anodyne CC(=O)N1CCN(c2ccc(C)cc2)C(=O)[C@@H]1[C@@H](O)C(=O)Nc1ccc2c(N)nccc2c1 ZINC000117615428 ID Annotated Anodyne CC(=O)N1CCN(c2ccc(C)cc2)C(=O)[C@H]1[C@@H](O)C(=O)Nc1ccc2c(N)nccc2c1 ZINC000117615432 ID Annotated Anodyne CC(=O)N1CCN(c2ccc(C)cc2)C(=O)[C@@H]1[C@H](O)C(=O)Nc1ccc2c(N)nccc2c1 ZINC000117615436 ID Annotated Anodyne CC(=O)N1CCN(c2ccc(C)cc2)C(=O)[C@H]1[C@H](O)C(=O)Nc1ccc2c(N)nccc2c1 ZINC000117615439 ID Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)C(=O)N1CC(O)C1 ZINC000118389425 ID Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1C[C@@H](O)[C@H](O)C1 ZINC000118395385 ID Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 ZINC000012039971 ID Annotated Anodyne COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 ZINC000012039974 ID Annotated Anodyne COc1ccc(OC)c(C(=O)N2CCc3c(cnc(C)c3CNS(=O)(=O)N(C)C)C2)c1 ZINC000012049254 ID Annotated Anodyne O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCCn1nc(-c2ccccc2)ccc1=O ZINC000012074050 ID Annotated Anodyne O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCn1nc(-c2ccccc2)ccc1=O ZINC000012074054 ID Annotated Anodyne CO[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 ZINC000012100392 ID Annotated Anodyne CO[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 ZINC000012100393 ID Annotated Anodyne CO[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 ZINC000012100394 ID Annotated Anodyne CO[C@H]1CCCN(C(=O)[C@H]2CCCN2c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 ZINC000012100395 ID Annotated Anodyne Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(Br)cc3)=C2)cnn1C ZINC000012155100 ID Annotated Anodyne Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccc(Br)cc2)=C1 ZINC000012155221 ID Annotated Anodyne Cc1nc(N2CCC[C@@H](C(=O)N3CCC[C@H]3CO)C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000012198812 ID Annotated Anodyne Cc1nc(N2CCC[C@H](C(=O)N3CCC[C@H]3CO)C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000012198817 ID Annotated Anodyne COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cn3ccccc3n2)c1OC ZINC000012301301 ID Annotated Anodyne COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cn3ccccc3n2)c1OC ZINC000012301304 ID Annotated Anodyne Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C(C)(C)C(=O)N3CCNCC3)ccc21 ZINC000012355243 ID Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(N)nc3c2c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1 ZINC000012405549 ID Annotated Anodyne COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)CSc3nncn3C)C1)CC2 ZINC000012432115 ID Annotated Anodyne COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)CSc3nncn3C)C1)CC2 ZINC000012432116 ID Annotated Anodyne COCCN1C[C@@H](C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1=O ZINC000012439873 ID Annotated Anodyne COCCN1C[C@H](C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1=O ZINC000012439874 ID Annotated Anodyne COC(=O)[C@@H](NCc1cccc(CN([C@H](C(=O)OC)C(C)C)S(C)(=O)=O)c1)C(C)C ZINC000012471199 ID Annotated Anodyne COCCNC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)NCCOC ZINC000012477214 ID Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@@](C)=O ZINC000012479487 ID Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@](C)=O ZINC000012479495 ID Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000012479562 ID Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000012479567 ID Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000012480094 ID Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000012480390 ID Annotated Anodyne CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2ccncc2)c(=O)n1CCCN1CCOCC1 ZINC000012622746 ID Annotated Mild C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000012642025 ID Annotated Mild C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 ZINC000012642032 ID Annotated Mild CC(C)N1C(=O)[C@H]2[C@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC(C)(C)C ZINC000012642357 ID Annotated Anodyne COC(=O)c1cc2c(cc1Cl)SC(NCCCN1CCOCC1)=NS2(=O)=O ZINC000012658819 ID Annotated Anodyne aggregator COc1ccc(Br)cc1CN(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000012677609 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000012688559 ID Annotated Anodyne C/C(=N\OCC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 ZINC000012854313 ID Annotated Mild C/C(=N\OCC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 ZINC000012854322 ID Annotated Mild O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1ccc(-n2cnnn2)cc1 ZINC000012881535 ID Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@]34O ZINC000013099316 ID Annotated Bother COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@]34O ZINC000013099318 ID Annotated Bother CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C(/N)N1CCN(c2ccc(OC)cc2)CC1 ZINC000013110787 ID Annotated Reactive CC[C@@H](C)N(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000013117696 ID Annotated Anodyne CC[C@@H](C)N(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000013117698 ID Annotated Anodyne Cc1c(NC(=S)NN/C=C2\C=CC([N+](=O)[O-])=CC2=O)c(=O)n(-c2ccccc2)n1C ZINC000013119170 ID Annotated Mild O=C(CCC(=O)Nc1ccc(Br)cc1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000013119183 ID Annotated Reactive O=C1C=C/C(=C/NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)C=C1[N+](=O)[O-] ZINC000013119238 ID Annotated Mild CCOc1ccc(-c2c(C(=O)NNC=C3C=CC(=O)C=C3)nnn2-c2nonc2N)cc1 ZINC000013120153 ID Annotated Reactive CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC=C2C=C(OC)C(=O)C(OC)=C2)c1 ZINC000013121686 ID Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)CSc2nnc(-c3ccccc3)n2C)C1=O ZINC000013122108 ID Annotated Reactive COC1=CC(Br)=C/C(=C\NNC(=O)[C@H](C)n2cc([N+](=O)[O-])c(OC)n2)C1=O ZINC000013122173 ID Annotated Reactive COC1=CC(Br)=C/C(=C\NNC(=O)[C@@H](C)n2cc([N+](=O)[O-])c(OC)n2)C1=O ZINC000013122174 ID Annotated Reactive COc1ccccc1N(CC(=O)NN/C=C1\C(=O)C=Cc2ccccc21)S(C)(=O)=O ZINC000013122350 ID Annotated Reactive COC1=CC(=CNNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C=C(OC)C1=O ZINC000013123032 ID Annotated Mild COC1=CC(=CNNC(=O)c2ccc(CSc3nncn3C)cc2)C=C(OC)C1=O ZINC000013123148 ID Annotated Reactive C/C(NNC(=O)CCCC(=O)O)=C1\C(=O)N=c2ccc(Cl)cc2=C1c1ccccc1 ZINC000013123360 ID Annotated Reactive O=C(CCN1CCOCC1)NN/C=C1\C=C(Br)C=C(Br)C1=O ZINC000013124343 ID Annotated Reactive Cc1c(NC(=S)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)c(=O)n(-c2ccccc2)n1C ZINC000013125343 ID Annotated Mild Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c[nH]cn4)C3)CC2)c1 ZINC000013131533 ID Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4c[nH]cn4)C3)CC2)c1 ZINC000013131535 ID Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)n1 ZINC000013131947 ID Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)n1 ZINC000013131949 ID Annotated Anodyne Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c(=O)n(-c2ccccc2)n1C ZINC000013132084 ID Annotated Anodyne Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c(=O)n(-c2ccccc2)n1C ZINC000013132086 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000013139431 ID Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000013139432 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000013139434 ID Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000013139435 ID Annotated Anodyne COc1cccc(/C=c2\s/c(=C(\C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1 ZINC000013140255 ID Annotated Mild COc1cccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1 ZINC000013140256 ID Annotated Mild N/C(=N\N=C/c1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O ZINC000013140573 ID Annotated Mild Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)sc2n1 ZINC000013147256 ID Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)sc2n1 ZINC000013147258 ID Annotated Anodyne Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)C[C@H]2C)c1 ZINC000013147532 ID Annotated Anodyne C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=NCCS(=O)(=O)[C@@H]1C3=O ZINC000013308354 ID Annotated Clean C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=C(NCCS1(=O)=O)C3=O ZINC000013308362 ID Annotated Mild C=C1NC(=O)[C@@H](CCCc2ccc(OC)cc2)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C)NC1=O ZINC000013312225 ID Annotated Anodyne COC(=O)[C@H]1c2cc3c(c(O)c2CC[C@@]1(O)CC(C)=O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000013367629 ID Annotated Clean C/C=C/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000013373837 ID Annotated Anodyne C/C=C/C=C/C=C/C(=O)N[C@@H]1CCCNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000013373838 ID Annotated Anodyne C[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013412843 ID Annotated Clean in-man C[C@@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013412846 ID Annotated Clean in-man C[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013412849 ID Annotated Clean in-man C[C@@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013412852 ID Annotated Clean in-man O=C(O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2)c1cccnc1 ZINC000013436045 ID Annotated Anodyne O=C(O)CC(=O)N1CCCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440586 ID Annotated Anodyne O=C(O)CCC(=O)N1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440588 ID Annotated Anodyne COC(OC)[C@@]1(C)Oc2ccc(N)cc2[C@H](/N=C(\NC#N)NCc2ccccc2)[C@H]1O ZINC000013470321 ID Annotated Mild COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@@H](/N=C(\NC#N)NCc2ccccc2)[C@@H]1O ZINC000013470322 ID Annotated Mild COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@H](N/C(=N\C#N)NCc2ccccc2)[C@H]1O ZINC000013470323 ID Annotated Mild O=C(O)CN/N=c1\n(Cc2ccc(C(F)(F)F)cc2)c2ccccc2n1C(=O)C(=O)O ZINC000013470522 ID Annotated Anodyne O=C(O)C[C@@H](NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000013472623 ID Annotated Bother O=C(O)C[C@H](NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000013472624 ID Annotated Bother COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CCN3CCOCC3)C2=O)cc1 ZINC000013473143 ID Annotated Anodyne NC(=O)CNC(=O)[C@@H]1C[C@]2(CC(c3ccc(Cl)cc3)=NO2)CN1C(=O)c1ccccc1 ZINC000013478200 ID Annotated Anodyne Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)c2cccs2)c(N)c1=O ZINC000013489220 ID Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)Cn1c(C2CC2)ccc(NCc2ccc3c(n2)NCCC3)c1=O ZINC000013489943 ID Annotated Mild O=C(O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C[C@@H]2[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccccc3)[C@H]12 ZINC000013496395 ID Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000013496397 ID Annotated Anodyne O=c1c(I)cc(I)c2n1C[C@@H]1CNC[C@H]2C1 ZINC000013519632 ID Annotated Anodyne Cc1cc(C)cc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000013521464 ID Annotated Anodyne CCOC1=C/C(=C/NNC(=O)C(=O)NCCCOC(C)C)C=C(Br)C1=O ZINC000013546963 ID Annotated Reactive CC(C)(C)NC(=O)[C@@H](C1CC1)N1C(=O)[C@H](CS)NC(=O)[C@@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000013556880 ID Annotated Mild CC(C)(C)NC(=O)[C@H](C1CC1)N1C(=O)[C@H](CS)NC(=O)[C@@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000013556882 ID Annotated Mild Cc1c(O)cc(O)c2c1C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSC2 ZINC000013559778 ID Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2C2CCS(=O)(=O)CC2)cc1 ZINC000013560512 ID Annotated Anodyne O=C(CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000013585757 ID Annotated Clean CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NS(N)(=O)=O ZINC000013588824 ID Annotated Mild CC(C)(C)[C@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NS(N)(=O)=O ZINC000013588825 ID Annotated Mild Cc1nn(-c2ccc(S(N)(=O)=O)c(CO)c2)c2c1c(=O)[nH]c1ccc([N+](=O)[O-])cc12 ZINC000013588971 ID Annotated Bother N#CCc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000013607995 ID Annotated Mild O=c1nc2n(c(O)c1[C@H](c1ccc(F)cc1)c1c(O)nc3n(c1=O)CCS3)CCS2 ZINC000013635505 ID Annotated Anodyne O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2CCc1ccc(Br)cc1 ZINC000013651448 ID Annotated Anodyne O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2CCc1ccc(Br)cc1 ZINC000013651449 ID Annotated Anodyne CN(C)CCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NCCN(C)C ZINC000013660847 ID Annotated Anodyne COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)cc(OC)c1OC ZINC000013662225 ID Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)cn1 ZINC000013673243 ID Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)nc1 ZINC000013673245 ID Annotated Anodyne C[C@@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)(O)O ZINC000013683311 ID Annotated Anodyne in-vitro CCOC(=O)/C(O)=C/C(=O)c1ccc2[nH]cc(C(=O)/C=C(\O)C(=O)OCC)c(=O)c2c1 ZINC000013683925 ID Annotated Mild CCN1C(=O)[C@H]2CC[C@@H]3/C(=N/NC(=O)OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000013704407 ID Annotated Reactive CC(C)(C)C1CS(=O)(=O)C(C2=CC(=[N+]=[N-])C=C(Br)C2=O)S(=O)(=O)C1 ZINC000013733490 ID Annotated Mild COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3c(n1)CCCC3)C2=O ZINC000013744361 ID Annotated Anodyne C[C@@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C/C=C/C=C/CO)OP(=O)(O)O ZINC000013761329 ID Annotated Anodyne in-man C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C/C=C/C=C/CO)OP(=O)(O)O ZINC000013761331 ID Annotated Anodyne in-man C[C@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C/C=C/C=C/CO)OP(=O)(O)O ZINC000013761332 ID Annotated Anodyne in-man CCCCOC(=O)N[C@@H](CN(C)C(=O)C[C@@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O ZINC000013763400 ID Annotated Anodyne CCCCOC(=O)N[C@@H](CN(C)C(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O ZINC000013763402 ID Annotated Anodyne CCCCOC(=O)N[C@@H](CNC(=O)C[C@@H]1CC(CCC2CCNCC2)=NO1)C(=O)O ZINC000013763426 ID Annotated Anodyne CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(CCC2CCNCC2)=NO1)C(=O)O ZINC000013763429 ID Annotated Anodyne CCCCOC(=O)N[C@@H](CNC(=O)C[C@@H]1CC(CCCC2CCNCC2)=NO1)C(=O)O ZINC000013763449 ID Annotated Anodyne CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(CCCC2CCNCC2)=NO1)C(=O)O ZINC000013763452 ID Annotated Anodyne CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/CCCN(C)Cc2ccccc2)CC1 ZINC000013776887 ID Annotated Anodyne COc1cc2c(cc1OC)[C@]13CC[N+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@]34O ZINC000013786317 ID Annotated Bother C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(CCO)c1=O ZINC000013804952 ID Annotated Mild C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(CCCO)c1=O ZINC000013804955 ID Annotated Mild O=c1[nH]/c(=C\c2nccs2)c(=O)[nH]/c1=C\c1ccc(OCCCc2cccnc2)cc1 ZINC000013817064 ID Annotated Anodyne O=c1[nH]/c(=C\c2ccc(OCCCc3cccnc3)cn2)c(=O)[nH]/c1=C\c1ccccc1 ZINC000013817068 ID Annotated Anodyne C=CC1=C2C=C(C3CC3)N(C(CO)CO)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817870 ID Annotated Mild C=CC1=C2C=C(C3CC3)N(C(CO)CO)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817873 ID Annotated Mild CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(C)(C)CO)cn2)CC1 ZINC000013818452 ID Annotated Anodyne CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(C)(C)CO)cn2)CC1 ZINC000013818464 ID Annotated Anodyne COCCNC(=O)c1ccc(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)nc1 ZINC000013818475 ID Annotated Anodyne C=C(CO)[C@H]1C[C@H](O)[C@@]23O[C@@H]2[C@@H](C[C@]2(C)O[C@H]2c2cc(C)c(o2)[C@@H]1OC(C)=O)OC3=O ZINC000013822130 ID Annotated Mild C=C(CO)[C@H]1C[C@H](OC(C)=O)[C@@]23O[C@@H]2[C@@H](C[C@]2(C)O[C@H]2c2cc(C)c(o2)[C@@H]1O)OC3=O ZINC000013822132 ID Annotated Mild C=C(CO)[C@H]1C[C@H](O)[C@@]23O[C@@H]2[C@@H](C[C@]2(C)O[C@H]2c2cc(C)c(o2)[C@@H]1OC(C)=O)O[C@@H]3O ZINC000013822138 ID Annotated Mild C=C(CO)[C@H]1C[C@H](O)[C@@]23O[C@@H]2[C@@H](C[C@]2(C)O[C@H]2c2cc(C)c(o2)[C@@H]1OC(C)=O)O[C@H]3O ZINC000013822140 ID Annotated Mild CCC1(CC)C(=O)C2=C3[C@@H](CC(C(=O)OC)=C[C@@H](C(=O)OC)[C@H]31)[C@H]1C(=O)NC(=O)[C@H]1[C@H]2C ZINC000013829300 ID Annotated Mild CCC1(CC)C(=O)C2=C3[C@@H](CC(C(=O)OC)=C[C@@H](C(=O)OC)[C@@H]31)[C@H]1C(=O)NC(=O)[C@H]1[C@H]2C ZINC000013829302 ID Annotated Mild CC[C@@]1(OC(=O)CN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4 ZINC000013832887 ID Annotated Anodyne CC[C@]1(OC(=O)CN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4 ZINC000013832888 ID Annotated Anodyne O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(OC(F)F)cc1 ZINC000013860407 ID Annotated Anodyne O=C(O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC3=NCCN3)c2)C1)c1cccnc1 ZINC000013918826 ID Annotated Anodyne O=C(O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC3=NCCN3)c2)C1)c1cccnc1 ZINC000013918827 ID Annotated Anodyne C[C@]12C[C@H](O)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12 ZINC000013982469 ID Annotated Mild CC(=O)O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](/C=C/[C@H]1CC=CC(=O)O1)OC(C)=O ZINC000135706015 ID Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@H]1C ZINC000135759408 ID Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N ZINC000136151293 ID Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3csc(CN4CCCC4)n3)[C@@H]21 ZINC000136189821 ID Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1=S)CCC2 ZINC000137235789 ID Annotated Anodyne C[C@@H]1/C=C\CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C/CC(=O)OC[C@H]2O[C@H]1C=C[C@@H]2O ZINC000137282315 ID Annotated Anodyne CC(=O)O[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@@]1(O)COC(=O)c1ccccc1 ZINC000137390335 ID Annotated Anodyne COc1ccc2c(c1OC)N1C(=O)C[C@@H]3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@@H]5[C@@H]3[C@H]14 ZINC000137437493 ID Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]1[C@@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@@H]3[C@@H]5[C@H]1O)[C@@H](OC)[C@@H]42 ZINC000137869016 ID Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@H]([C@@H]2C(=N)ON=C2N)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000137981136 ID Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]([C@@H]2C(=N)ON=C2N)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000137981254 ID Annotated Anodyne C=C1CC[C@@H](OC(C)=O)[C@@]2(C)C=CC(=O)[C@H](C)[C@@H]2[C@@H](O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl ZINC000138636344 ID Annotated Reactive C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CC[C@@](C)(COC(C)=O)[C@H]1CO ZINC000138796319 ID Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)C(=O)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(C(=O)OC)C=CC(=O)[C@]12C ZINC000139059135 ID Annotated Mild CO[C@]12CCN(Cc3cc(O)c(O)c(Br)c3Br)[C@H]1NC(=O)N2 ZINC000139148049 ID Annotated Clean COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3Cl)C2)nc(C)c1F ZINC000139359194 ID Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(Cl)ccc3F)C2)nc(C)c1F ZINC000139359326 ID Annotated Anodyne Cc1c(O)cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@H]2O)c2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000139374222 ID Annotated Mild Cc1c(O)cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)c2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000139374339 ID Annotated Mild Cc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)sc1Cl ZINC000139639750 ID Annotated Anodyne Cc1cc(Cl)c(O)c2c(=O)c3cc(Cl)n([C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@@H]4O)c3oc12 ZINC000139771578 ID Annotated Anodyne CC[C@H]1O[C@@H]2CC(=O)O[C@@H]2c2cc3c(c(O)c21)C(=O)C([C@H]1C[C@@H](O)C(=O)[C@@H](C)O1)=CC3=O ZINC000139773139 ID Annotated Mild NC(N)=Nc1ccc(Cl)c(N2C[C@@H](C(=O)N[C@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000139792765 ID Annotated Mild O=C1c2c(O)cc(O)cc2O[C@@]2(c3ccc(O)c(O)c3)O[C@]12c1c(O)cc(O)cc1O ZINC000139962679 ID Annotated Clean C=C(C)C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]3[C@@]23OC(=O)C(COC(C)=O)=C13 ZINC000140188735 ID Annotated Mild C[C@@H]1O[C@H](C)CN2c3c(cc4c(C5CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000140293670 ID Annotated Anodyne CCOc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F ZINC000140654359 ID Annotated Anodyne in-vitro CC1=CC(=O)C2=C(COC(=O)CC(C)C)C[C@H](OS(=O)(=O)O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000140894963 ID Annotated Mild COc1cc2c(cc1OC)[C@@]13CCN(C)C[C@@]45O[C@@H]4CO[C@H]4CC(=O)N2[C@H]1[C@H]4[C@H]5CC3=O ZINC000141022525 ID Annotated Anodyne C/C=C/C=C/C=C/C(=O)N[C@H]1CCCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000141036190 ID Annotated Anodyne C/C=C\C=C\C=C\C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000141059599 ID Annotated Anodyne Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000141071379 ID Annotated Anodyne COCc1noc2c(Cl)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31 ZINC000141676662 ID Annotated Anodyne COCCS(=O)(=O)Nc1cc(C#Cc2c(C)ncnc2N2CCOCC2)cnc1C ZINC000142128462 ID Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)N1CCCC1 ZINC000142141825 ID Annotated Mild CCCNc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31 ZINC000142394444 ID Annotated Anodyne C[C@H]1CN2c3c(cc4c(C(F)F)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1 ZINC000142429077 ID Annotated Anodyne CSc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31 ZINC000142538675 ID Annotated Anodyne CC(=O)OC[C@@]12[C@@H](O)C[C@](C)(O)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@]1(O)CCC[C@]21CO1 ZINC000142587386 ID Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CCN(c4ccc(C#N)nc4)CC3)nc2)c1)C(=O)CN ZINC000142839965 ID Annotated Mild C[C@@H]1O[C@H](C)CN2c3c(cc4c(C(F)F)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000142850158 ID Annotated Anodyne CCc1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)no1 ZINC000142891141 ID Annotated Anodyne CCc1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)no1 ZINC000142891327 ID Annotated Anodyne COCCOCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142897946 ID Annotated Anodyne Cc1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)no1 ZINC000142912231 ID Annotated Anodyne Cc1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)no1 ZINC000142912470 ID Annotated Anodyne CN1c2ccc(-c3cnc(N)c(F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O ZINC000142918134 ID Annotated Anodyne CCOCCOCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142923558 ID Annotated Anodyne CC1(COCc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)COC1 ZINC000142935158 ID Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#C[C@H](O)c3cccnc3)ccc1-2 ZINC000143007642 ID Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#C[C@@H](O)c3cccnc3)ccc1-2 ZINC000143007813 ID Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#C[C@H](O)c3cccnc3)ccc1-2 ZINC000143007959 ID Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#C[C@@H](O)c3cccnc3)ccc1-2 ZINC000143008173 ID Annotated Anodyne O=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3cc(O)cc(F)c3)c2n1 ZINC000143030464 ID Annotated Anodyne CN(C)c1cc(C(=O)O)nc2c(-c3ccc(F)c(CO)c3)nc(N3CCOCC3)nc12 ZINC000143065420 ID Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(COC3CCOCC3)ccc1-2 ZINC000143070149 ID Annotated Anodyne CS(=O)(=O)c1cc(C(=O)O)nc2c(-c3cc(O)cc(F)c3)nc(N3CCOCC3)nc12 ZINC000143074305 ID Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CC3(O)CCOCC3)ccc1-2 ZINC000143125431 ID Annotated Anodyne N#Cc1nccc(N2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@H]2C(=O)O)n1 ZINC000143172735 ID Annotated Mild C[C@@H](O)[C@@H]1CCN(c2nc(-c3ccc(N4CCN(C)CC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000143252578 ID Annotated Anodyne C[C@H](O)[C@@H]1CCN(c2nc(-c3ccc(N4CCN(C)CC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000143252779 ID Annotated Anodyne C[C@@H](O)[C@H]1CCN(c2nc(-c3ccc(N4CCN(C)CC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000143252985 ID Annotated Anodyne C[C@H](O)[C@H]1CCN(c2nc(-c3ccc(N4CCN(C)CC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000143253187 ID Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C)(C)C=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]2C[C@H]3OC(=O)C(C)=C3[C@H](O)[C@]12O ZINC000143267698 ID Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(O)[C@@H](O)C3=C(C)C(=O)O[C@@H]3C[C@H]2[C@]2(C)[C@H](OC(C)=O)C=CC(C)(C)[C@@H]12 ZINC000143268335 ID Annotated Anodyne CO[C@H]1CC[C@@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(C[C@@H]2COCCO2)C3=O)C[C@@H]1C ZINC000143442487 ID Annotated Anodyne CO[C@H]1CC[C@@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(C[C@H]2COCCO2)C3=O)C[C@@H]1C ZINC000143442681 ID Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NCCCO)n2)cc1 ZINC000143527103 ID Annotated Anodyne CN1c2ccc(-c3cnc(N)c(F)c3N3CCC4(CC3)CNC(=O)O4)cc2CS1(=O)=O ZINC000143676849 ID Annotated Anodyne O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000143678344 ID Annotated Anodyne N#Cc1nccc(N2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@H]2C(N)=O)n1 ZINC000143697634 ID Annotated Mild Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2cccnc2)c1 ZINC000143836491 ID Annotated Mild CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)CC)c1 ZINC000143847756 ID Annotated Mild CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)C2CC2)c1 ZINC000143847960 ID Annotated Mild NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)NC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000143855975 ID Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)NCCc2ccccc2)c2ccccc21 ZINC000143897277 ID Annotated Anodyne COCCn1nc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C ZINC000144076605 ID Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1CC1CC1 ZINC000144096004 ID Annotated Anodyne C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N(CCCO)CCC(=O)O ZINC000144312004 ID Annotated Anodyne C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N(CCCO)CC(=O)O ZINC000144364025 ID Annotated Anodyne CN1C(=N)N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(F)cn3)c2F)CS1(=O)=O ZINC000144646233 ID Annotated Anodyne CN1CCS(=O)(=O)c2cc(-c3cc4ncn(C)c(=O)c4c(NCCCO)n3)ccc21 ZINC000144808828 ID Annotated Anodyne CC[C@@]1(O)CC(=O)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000014585141 ID Annotated Clean in-vivo CC[C@]1(O)CC(=O)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000014585143 ID Annotated Clean in-vivo CC[C@@]1(O)CC(=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000014585145 ID Annotated Clean in-vivo CC[C@]1(O)CC(=O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000014585147 ID Annotated Clean in-vivo COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C\CO)cc2OC)cc(OC)c1O ZINC000014616753 ID Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O ZINC000014680896 ID Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O ZINC000014680898 ID Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O ZINC000014680899 ID Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O ZINC000014680901 ID Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@@]23O)c(O)c1 ZINC000014680903 ID Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@@]23O)c(O)c1 ZINC000014680905 ID Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@@]23O)c(O)c1 ZINC000014680907 ID Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@@]23O)c(O)c1 ZINC000014680909 ID Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000014680926 ID Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000014680928 ID Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000014680929 ID Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000014680931 ID Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(C=O)[C@@]12O ZINC000014680933 ID Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(C=O)[C@@]12O ZINC000014680935 ID Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(C=O)[C@@]12O ZINC000014680937 ID Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(C=O)[C@@]12O ZINC000014680939 ID Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)OCC2=C[C@]3(O)CC(C)(C)[C@H](O)[C@@H]3[C@@]3(C)C[C@@H](O)[C@@]23O)c(O)c1 ZINC000014680953 ID Annotated Anodyne CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O ZINC000014686634 ID Annotated Clean COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1OC(CO)CO ZINC000014689366 ID Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1OC(CO)CO ZINC000014689368 ID Annotated Anodyne CC(=O)OC/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](OC(=O)c1c(C)cc(O)cc1O)C2 ZINC000014723058 ID Annotated Mild C=C[C@]1(C)C[C@H](O)[C@@H]2[C@@](O)(C1=O)[C@@H](OC(C)=O)C[C@@H]1C(C)(C)C(=O)C(OC(C)=O)=C[C@]12C ZINC000014759317 ID Annotated Mild CN1C(=O)[C@@](O)(Cc2cccc(O)c2)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000014765748 ID Annotated Bother CN1C(=O)[C@@](O)(Cc2cccc(O)c2)N(C)C(=O)[C@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000014765750 ID Annotated Bother CN1C(=O)[C@](O)(Cc2ccccc2O)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000014765791 ID Annotated Bother CN1C(=O)[C@@](O)(Cc2ccccc2O)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000014765794 ID Annotated Bother CN1C(=O)[C@](O)(Cc2ccc(O)cc2)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000014765798 ID Annotated Bother O=C(O)c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)c2c1 ZINC000014765834 ID Annotated Clean in-man O=C(O)c1cc(O)c(=O)c2c(O)c(O)cc([C@@H]3Oc4cc(O)cc(O)c4C[C@H]3O)c2c1 ZINC000014765835 ID Annotated Clean in-man O=C(O)c1cc(O)c(=O)c2c(O)c(O)cc([C@@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)c2c1 ZINC000014765837 ID Annotated Clean in-man C[C@@H]1CCC(=O)C[C@@H](S[C@@H]2CC(=O)CC[C@@H](C)OC(=O)C[C@@H]2O)[C@@H](O)CC(=O)O1 ZINC000014766210 ID Annotated Anodyne CC1(C)OC(/C(=C/COc2ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc2)CO)=CC1=O ZINC000014769731 ID Annotated Mild CC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1O ZINC000014824158 ID Annotated Anodyne CC(=O)O[C@H]1[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C2=C(C(=O)[C@@]3(C[C@@H]3C)[C@@H](OC(C)=O)C2=O)[C@H]1O ZINC000014858792 ID Annotated Mild O=C1N(CCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCO ZINC000014907466 ID Annotated Anodyne CCCCNS(=O)(=O)c1ccc(-n2nc(C(=O)NC)c3c2-c2cn[nH]c2CC3)cc1 ZINC000014945843 ID Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H](NS(C)(=O)=O)[C@@H](C)O)c21 ZINC000014947115 ID Annotated Mild NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)O)CCCCC3)cc12 ZINC000014960800 ID Annotated Mild CCOC(=O)C1(NS(=O)(=O)c2ccc3c(Cl)cnc(N=C(N)N)c3c2)CCCC1 ZINC000014960843 ID Annotated Mild Cn1nnnc1SCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000014978987 ID Annotated Anodyne Cn1nnnc1SCCNC(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000014978990 ID Annotated Anodyne C[C@@H](CNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NC[C@@H](C)N(C)C)CC1)N(C)C ZINC000145491010 ID Annotated Mild C[C@H](CNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NC[C@@H](C)N(C)C)CC1)N(C)C ZINC000145491204 ID Annotated Mild C[C@@H](CNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NC[C@H](C)N(C)C)CC1)N(C)C ZINC000145491395 ID Annotated Mild C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N(CCCO)CC(=O)O ZINC000145965757 ID Annotated Anodyne C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N(CCCO)CC(=O)O ZINC000145965928 ID Annotated Anodyne C/C(=C\c1nc(C(=O)Oc2ccc(C(=N)N)cc2)cs1)C(=O)N(CCCO)CC(=O)O ZINC000145971448 ID Annotated Anodyne N=C(N)c1ccc(OC(=O)c2ccc(CCC(=O)NCP(=O)(O)O)s2)c(F)c1 ZINC000145984157 ID Annotated Anodyne CC(=O)O[C@H]1C[C@H](C)O[C@@]2(O[C@@H](CC(=O)O)CC3=C2C(=O)c2c(O)cccc2C3=O)[C@H]1O ZINC000146192686 ID Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(Oc3nc(-c4ccncn4)cc(=O)n3C)CC2)cc1 ZINC000146499297 ID Annotated Anodyne Cn1c(O[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc(-c2ccncn2)cc1=O ZINC000146517776 ID Annotated Anodyne Cn1c(O[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc(-c2ccncn2)cc1=O ZINC000146517975 ID Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@@H]([C@@H](O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](O)[C@]3(/C=C(/C)[C@H]1O)O4)C2(C)C ZINC000146828143 ID Annotated Anodyne CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(OC[C@H](O)C(C)(C)O)cc2)(SC)C(=O)N1C ZINC000147370257 ID Annotated Anodyne NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](N5CCOCC5)CC4)c3c21 ZINC000147374004 ID Annotated Anodyne COC(=O)c1nc(N)nc2c1-c1c([nH]c(Br)c1Br)C(=O)NC2 ZINC000147499734 ID Annotated Anodyne CC[C@@H]1O[C@H](CC)CN2c3c(cc4c(C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000147544332 ID Annotated Anodyne Cc1nc(N2CCn3c(nc4cc(CO)c(S(C)(=O)=O)cc43)[C@H]2C(C)C)ncc1CO ZINC000147762543 ID Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](O)C(=O)O2)C[C@]2(Oc3cc4c(c(O)c3C[C@@H]2C)C(=O)O[C@@H]4[C@H](C)O)O1 ZINC000147835048 ID Annotated Anodyne Cc1nnc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@H](C)C(=O)[C@@H](C)C3=O)cc2)s1 ZINC000148390083 ID Annotated Mild Cc1nnc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@@H](C)C(=O)[C@@H](C)C3=O)cc2)s1 ZINC000148390320 ID Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@H](C)C(=O)[C@@H](C)C3=O)cc2)n1 ZINC000148390989 ID Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@@H](C)C(=O)[C@@H](C)C3=O)cc2)n1 ZINC000148391253 ID Annotated Mild Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O ZINC000148514696 ID Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3C[C@@H](O)CO3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148572196 ID Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@H](O)CO3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148572403 ID Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@@H](O)CO3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148647420 ID Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@H](O)CO3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148647632 ID Annotated Mild CN(C)C(=O)Cn1c(=O)c(C(=O)NC2CC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21 ZINC000148701255 ID Annotated Anodyne Cc1ncnc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c1C#Cc1ccc(N)nc1 ZINC000148832582 ID Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)nc2)c1C#Cc1ccc(N)nc1 ZINC000148867610 ID Annotated Mild O=C1CN=C(n2cnc(CO)c2)C=C2c3cccc(I)c3CCN12 ZINC000149064968 ID Annotated Anodyne O=C1CN=C(n2cnc(C3(O)COC3)c2)C=C2c3cccc(-c4ccc(F)nc4)c3CCN12 ZINC000149139688 ID Annotated Anodyne Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O ZINC000149169855 ID Annotated Anodyne CCc1ncnc(N2CCC(C)(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000149171234 ID Annotated Mild Cc1ncnc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149208145 ID Annotated Mild Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4C4=NN(C)CN4)C[C@H]3C2)ncc1Cl ZINC000149378946 ID Annotated Anodyne Cc1ncnc(N2CCC(CC(=O)N(C)CCN(C)C)CC2)c1C#Cc1ccc(N)nc1 ZINC000149416837 ID Annotated Mild CCc1ncnc(N2CCc3c(ncnc3N3CCOCC3)C2)c1C#Cc1ccc(N)nc1 ZINC000149477160 ID Annotated Mild C=CCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1O ZINC000149794922 ID Annotated Reactive CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O ZINC000149929535 ID Annotated Anodyne CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC2CC2)c1=O ZINC000149956738 ID Annotated Anodyne NC(=S)N/N=C/c1ncccc1NC(=O)OCc1ccc(OP(=O)(O)O)cc1 ZINC000001546561 ID Annotated Mild COc1ccc(S(=O)(=O)Oc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCN ZINC000001550215 ID Annotated Anodyne COc1cc2c(cc1OC(=O)C[C@H](C)O)[C@@H]1[C@H]3C(=C[C@H](OC(C)=O)[C@@H]1OC2=O)CCN3C ZINC000001622331 ID Annotated Anodyne CN(C)C(=O)Oc1c(-c2ccccc2)c(=O)n2c3ccccc3n3c(=O)n(C)c(=O)c1c23 ZINC000001622359 ID Annotated Bother CCOC(=O)[C@H](CC#Cc1ccc(C#CC[C@H](NC(C)=O)C(=O)OCC)cc1)NC(C)=O ZINC000001639223 ID Annotated Mild CCOC(=O)[C@@H](CC#Cc1ccc(C#CC[C@@H](NC(C)=O)C(=O)OCC)cc1)NC(C)=O ZINC000001639224 ID Annotated Mild N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 ZINC000001645882 ID Annotated Reactive CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1c(N)c(C#N)c(C)c(C#N)c1=S ZINC000001647140 ID Annotated Mild C=CCn1c(=O)c(Br)nn(CCOCP(=O)(OCC)OCC)c1=O ZINC000001647356 ID Annotated Mild O=C(c1cccc2ccccc12)C1(Br)S(=O)(=O)OCCOS1(=O)=O ZINC000001647414 ID Annotated Mild C[C@@H](CCc1ccccc1)NC[C@@H](O)n1c(/N=N/N(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000001649536 ID Annotated Clean CN(C)c1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 ZINC000001650969 ID Annotated Mild COC(=O)CN(C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1NC(C)=O)C(=O)OCc1ccccc1 ZINC000001653601 ID Annotated Anodyne COC(=O)CN(C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1NC(C)=O)C(=O)OCc1ccccc1 ZINC000001653602 ID Annotated Anodyne COC(=O)CN(C[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1NC(C)=O)C(=O)OCc1ccccc1 ZINC000001653603 ID Annotated Anodyne COC(=O)CN(C[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1NC(C)=O)C(=O)OCc1ccccc1 ZINC000001653604 ID Annotated Anodyne CN(C)C(=O)C(F)(F)[C@H](c1ccc(Br)cc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000001654933 ID Annotated Anodyne CN(C)C(=O)C(F)(F)[C@H](c1ccccc1Br)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000001654936 ID Annotated Anodyne CN1CCN(c2ccc3nc(C4=C(O)C(=O)c5c(nc(CCl)n5C)C4=O)[nH]c3n2)CC1 ZINC000001656733 ID Annotated Reactive OC[C@@H](O)COCn1cc(Cn2ncc3c(SCc4ccccc4)ncnc32)nn1 ZINC000001656913 ID Annotated Anodyne OC[C@@H](O)COCn1nncc1Cn1ncc2c(SCc3ccccc3)ncnc21 ZINC000001656914 ID Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@]1(O)C(=O)OC[C@]1(O)C2 ZINC000001681749 ID Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)c1cccs1 ZINC000001818662 ID Annotated Bother O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1cccs1 ZINC000001818663 ID Annotated Bother O=C(Nc1ccccc1)c1cc2c(cc1Cl)SC(NNCCO)=NS2(=O)=O ZINC000001859568 ID Annotated Anodyne CCSC1=C[C@@]2(O)N(CCc3ccc(OC)c(OC)c3)C(=O)C[C@]2(C(=O)OC)CC1=O ZINC000001863626 ID Annotated Mild CCSC1=C[C@@]2(O)N(CCc3ccc(OC)c(OC)c3)C(=O)C[C@@]2(C(=O)OC)CC1=O ZINC000001863627 ID Annotated Mild CCSC1=C[C@]2(O)N(CCc3ccc(OC)c(OC)c3)C(=O)C[C@]2(C(=O)OC)CC1=O ZINC000001863628 ID Annotated Mild CCSC1=C[C@]2(O)N(CCc3ccc(OC)c(OC)c3)C(=O)C[C@@]2(C(=O)OC)CC1=O ZINC000001863630 ID Annotated Mild Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)s1 ZINC000001903237 ID Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)s1 ZINC000001903244 ID Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)CC1 ZINC000015064701 ID Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)CC1 ZINC000015064702 ID Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)CC1 ZINC000015067747 ID Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)CC1 ZINC000015067749 ID Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000015195925 ID Annotated Mild C/C=C/C=C/C1=C2C3=CC(=O)[C@](C)(OC(=O)C[C@@H](C)O)C(=O)C3=CN3CC[C@H](O)[C@H](O1)[C@@H]23 ZINC000015216625 ID Annotated Mild in-vitro C/C=C(/C=C(C)/C=C(C)\C=C\C=C(/C)C(=O)[C@@]12O[C@@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000015248651 ID Annotated Mild in-man endogenous C/C=C(/C=C(C)/C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000015248655 ID Annotated Mild in-man endogenous COc1cc(O)c2c(=O)c3cc4c(c(OC)c3n(C)c2c1OC)O[C@H](C(C)(C)O)[C@H]4O ZINC000015261887 ID Annotated Bother CC(=O)Nc1ccc(N2C(=O)[C@@H]3C4CCC(NC(=O)OCC(=O)O)(CC4)[C@@H]3C2=O)cc1 ZINC000015274073 ID Annotated Anodyne in-vivo Cn1c(C2CCOCC2)nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O ZINC000150134552 ID Annotated Anodyne CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O ZINC000150147725 ID Annotated Anodyne CCCNC(=O)Cn1c(=O)c(C(=O)NC)c(O)c2ncc(Cc3ccc(F)cc3)cc21 ZINC000150197804 ID Annotated Anodyne COC(=O)C1=C[C@]23CCN[C@@](C(=O)OC)([C@@H]2CC1)N(C(=O)OC)c1c3ccc2c1OCO2 ZINC000154580631 ID Annotated Anodyne C[C@H]1CC(O)=C(c2cc(C(=O)OC[C@@H](O)CO)c3c(n2)[nH]c2cc(O)ccc23)C(=O)O1 ZINC000154583597 ID Annotated Anodyne COC1=C/C(=C(\C)NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)C=CC1=O ZINC000015880027 ID Annotated Reactive CC(NNC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)=C1C=CC(=O)C=C1 ZINC000015880050 ID Annotated Reactive CC(NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)=C1C=CC(=O)C=C1 ZINC000015880085 ID Annotated Reactive C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)C1 ZINC000015895307 ID Annotated Anodyne CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000015924590 ID Annotated Anodyne CCOC1=C/C(=C/c2c(N)n3nc(CC(=O)N4CCCC4)sc3nc2=O)C=CC1=O ZINC000015934688 ID Annotated Mild C/C(=N/OCC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 ZINC000015934697 ID Annotated Mild C/C(=N/OCC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 ZINC000015934698 ID Annotated Mild O=C1N=C(O)/C(=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)C(=O)N1 ZINC000015935005 ID Annotated Clean Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)NCc1ccc(F)cc1 ZINC000015935127 ID Annotated Anodyne O=C(CNC(=O)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1)OCc1ccccc1 ZINC000015935427 ID Annotated Anodyne Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1CN1CCCCCC1 ZINC000015935630 ID Annotated Reactive C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)c1ccccc1O ZINC000015936058 ID Annotated Reactive COCCNC(=O)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCCOC ZINC000015936616 ID Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000015937088 ID Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000015937501 ID Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000015937503 ID Annotated Bother CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)CN(CCOC)C(=O)[C@@]21C ZINC000015941117 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)CN(CC3CC3)C(=O)[C@@]21C ZINC000015941123 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N1C(=O)CN(CC3CC3)C(=O)[C@@]21C ZINC000015941137 ID Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](/C=C/c1ccccc1)N1C(=O)CN(Cc3ccccc3)C(=O)[C@@]21C ZINC000015941189 ID Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](/C=C/c1ccccc1)N1C(=O)CN(Cc3ccccn3)C(=O)[C@@]21C ZINC000015941193 ID Annotated Anodyne CCOC1=C/C(=C/c2c(N)n3nc(CC(=O)N4CCCCC4)sc3nc2=O)C=CC1=O ZINC000015952062 ID Annotated Mild COC1=C/C(=C/c2c(N)n3nc(CC(=O)N4CCCCC4)sc3nc2=O)C=CC1=O ZINC000015952067 ID Annotated Mild C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000015952266 ID Annotated Anodyne O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1 ZINC000015974046 ID Annotated Reactive CCCCN1CC(=O)N2[C@H](c3ccc(OC)cc3)[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]2(C)C1=O ZINC000015974651 ID Annotated Anodyne CN(Cc1c(C(=O)N/N=C\c2ccccc2F)nnn1-c1nonc1N)c1ccccc1 ZINC000015978628 ID Annotated Reactive COc1ccccc1/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1 ZINC000015978708 ID Annotated Reactive Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2F)c1CN1CCc2ccccc21 ZINC000015979221 ID Annotated Reactive CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](OC(C)=O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000157023076 ID Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(OC(C)=O)C[C@@H]2OC(C)=O)OC1=O ZINC000157023714 ID Annotated Anodyne CN(C(=O)COC(=O)/C=C/c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016684497 ID Annotated Anodyne CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nn2)CC1 ZINC000016689910 ID Annotated Anodyne COCCOc1cc2c(C)c(CCC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O ZINC000165581106 ID Annotated Anodyne CN(C)c1cccc(C(=O)Nc2cccc(CNc3ncnc4c3=CCCC=4C(N)=O)c2)c1 ZINC000167005225 ID Annotated Anodyne CN(CCO)c1cc(C(=O)O)nc2c(-c3ccc(F)cc3O)nc(N3CCOCC3)nc12 ZINC000167026929 ID Annotated Anodyne O=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3cccc(F)c3O)c2n1 ZINC000167778873 ID Annotated Anodyne C=CCN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000168075476 ID Annotated Mild CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000168075929 ID Annotated Anodyne CN1CCN(c2ccc(S(=O)(=O)[C@H]3CCN(c4nccc(C#N)n4)C3)c(Cl)c2)CC1 ZINC000168362908 ID Annotated Mild N#Cc1cncc(Oc2ccc(S(=O)(=O)[C@@H]3CCN(c4cncc(C#N)n4)C3)cc2)n1 ZINC000168519338 ID Annotated Mild N#Cc1cncc(Oc2ccc(S(=O)(=O)[C@H]3CCN(c4cncc(C#N)n4)C3)cc2)n1 ZINC000168519446 ID Annotated Mild CN1CCN(c2ccc(S(=O)(=O)[C@H]3CCN(c4cncc(C#N)n4)C3)c(Cl)c2)CC1 ZINC000168521285 ID Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291745 ID Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(O)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291746 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291747 ID Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291749 ID Annotated Anodyne Cc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1ccccc1)COC/C=C\CCNC2=O ZINC000169292408 ID Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)C2=C3[C@](O)([C@@H](OC(C)=O)[C@@]4(C[C@@H]4C)C2=O)[C@@H]2CC(=O)C(C)(C)[C@@H]1[C@@]32C ZINC000169293892 ID Annotated Mild CC(=O)O[C@H]1[C@@]2(C[C@@H]2C)C(=O)C2=C3[C@@]1(O)[C@@H]1CC(=O)C(C)(C)[C@@H]([C@@H](OC(C)=O)[C@H]2O)[C@@]31C ZINC000169293893 ID Annotated Mild CC(=O)O[C@H]1[C@@H]2C(C)(C)C(=O)C[C@H]3[C@]4(O)C(=C(C(=O)[C@]5(C[C@@H]5C)[C@@H]4OC(C)=O)[C@H]1O)[C@]23C ZINC000169293894 ID Annotated Mild CC(=O)O[C@H]1[C@@]2(C[C@@H]2C)C(=O)C2=C3[C@@]1(O)[C@@H]1CC(=O)C(C)(C)[C@@H]([C@@H](OC(C)=O)[C@@H]2O)[C@@]31C ZINC000169293895 ID Annotated Mild O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000169294458 ID Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000169294459 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000169294460 ID Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000169294461 ID Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169294728 ID Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169294730 ID Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169294920 ID Annotated Mild C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169294922 ID Annotated Mild O=C1[C@H]2[C@@H]3CC[C@H]([C@H]4C[C@H]43)[C@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000169295514 ID Annotated Anodyne O=C1[C@@H]2[C@@H]3CC[C@H]([C@H]4C[C@H]43)[C@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000169295516 ID Annotated Anodyne O=C1[C@@H]2[C@H]([C@@H]3CC[C@@H]2[C@@H]2C[C@H]32)S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000169295518 ID Annotated Anodyne O=C1[C@H]2[C@H]([C@@H]3CC[C@@H]2[C@@H]2C[C@H]32)S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000169295519 ID Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169298757 ID Annotated Mild C=CCN1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169298758 ID Annotated Mild C=CCN1C(=O)[C@@H]2[C@H](C(=O)NCc3ccccc3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169298759 ID Annotated Mild C=CCN1C(=O)[C@H]2[C@H](C(=O)NCc3ccccc3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169298760 ID Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(\C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 ZINC000169300740 ID Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 ZINC000169300742 ID Annotated Mild COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000169301080 ID Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000169301082 ID Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000169301084 ID Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cc(Cl)cnc3OC[C@@H]1O2 ZINC000169303884 ID Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H]3CCCN3C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000169304270 ID Annotated Mild CCOC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169304427 ID Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc(O)cc2)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169304428 ID Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169304430 ID Annotated Anodyne CC[C@@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000169304921 ID Annotated Anodyne CC[C@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000169304922 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N(N=O)[C@H](c2ccco2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306011 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N(N=O)[C@@H](c2ccco2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306012 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N(N=O)[C@@H](c2ccco2)[C@H](C(=O)OCC)S1(=O)=O ZINC000169306013 ID Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2[C@@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 ZINC000169306784 ID Annotated Reactive COc1ccc([C@@H]2SCC(=O)N2[C@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 ZINC000169306787 ID Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2ccc[nH]2)N(N=O)[C@H](c2ccc[nH]2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306974 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc[nH]2)N(N=O)[C@@H](c2ccc[nH]2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306975 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc[nH]2)N(N=O)[C@@H](c2ccc[nH]2)[C@H](C(=O)OCC)S1(=O)=O ZINC000169306976 ID Annotated Anodyne CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)n[nH]c2-c2ccccc2S1(=O)=O ZINC000169308554 ID Annotated Anodyne O=C(NC1CC1)c1cccnc1N1CCN(C(=O)Nc2cnc3ccccn3c2=O)CC1 ZINC000169313109 ID Annotated Anodyne CCOC(=O)C(=O)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(NC(=O)C(=O)OCC)c1Cl ZINC000169316047 ID Annotated Bother CCOC(=O)C(=O)Nc1cc(C(=O)OC)c(Cl)c(NC(=O)C(=O)OCC)c1Cl ZINC000169316050 ID Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3csc(CN4CCCC4)n3)[C@H]12 ZINC000169316456 ID Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000169318323 ID Annotated Mild O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000169318324 ID Annotated Mild O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000169318326 ID Annotated Mild Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCN1CCN(C(=O)C(C)C)CC1 ZINC000169320270 ID Annotated Mild CCCNCCNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NCCNCCC)CC1 ZINC000169323862 ID Annotated Mild CC(C)NCCNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NCCNC(C)C)CC1 ZINC000169323867 ID Annotated Mild Cc1ccc2c(c1)[C@]1(C)CCC3(OCCO3)[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323940 ID Annotated Anodyne CC(=O)c1cc(C)cc2c1O[C@H]1[C@@H](NC(=O)CCN3CCN(C)CC3)C(=O)CC[C@@]21C ZINC000169323959 ID Annotated Anodyne Cc1cc([N+](=O)[O-])c2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323961 ID Annotated Bother C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(S(=O)(=O)N/N=C/c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000169325179 ID Annotated Mild CN(CC(=O)Nc1ccccc1Cl)C[C@@H](O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000169329586 ID Annotated Anodyne CN(CC(=O)Nc1ccccc1Cl)C[C@H](O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000169329590 ID Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169330421 ID Annotated Anodyne CCC[C@]1(C(=O)OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169330423 ID Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169330424 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@](C)(CC(=O)OC[C@H]2O[C@@H](N3C=C(C)CNC3=O)C[C@@H]2O)C1 ZINC000169331133 ID Annotated Anodyne CC(=O)O[C@H]1[C@@H]2Oc3nc(=N)ccn3[C@@H]2O[C@@H]1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000169331723 ID Annotated Anodyne O=[N+]([O-])c1ccc(-n2nnnc2S(=O)(=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331784 ID Annotated Bother C=C(C)C(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000169331882 ID Annotated Mild C=C(C)C(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000169331884 ID Annotated Mild O=C(CCl)NCCCN1C(=O)C[C@@](CCCNC(=O)CCl)(c2ccccc2)C1=O ZINC000169332922 ID Annotated Reactive O=C(CCl)NCCCN1C(=O)C[C@](CCCNC(=O)CCl)(c2ccccc2)C1=O ZINC000169332924 ID Annotated Reactive C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000169333478 ID Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](CC(=O)O)O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000169333917 ID Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](CC(=O)O)O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000169333919 ID Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](CC(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000169333923 ID Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](CC(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000169333925 ID Annotated Mild COC(=O)C1=C(C(=O)OC)[C@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](CO)NC3=N1 ZINC000169334601 ID Annotated Anodyne CCOC(=O)CCC(=O)Nc1cccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336547 ID Annotated Reactive CC[C@@H](C(=O)NO)[C@@H](CO)Cc1c[n+](CC(=O)c2ccc(Br)cc2)cn1C ZINC000169339288 ID Annotated Mild CC[C@H](C(=O)NO)[C@@H](CO)Cc1c[n+](CC(=O)c2ccc(Br)cc2)cn1C ZINC000169339289 ID Annotated Mild CC[C@@H](C(=O)NO)[C@H](CO)Cc1c[n+](CC(=O)c2ccc(Br)cc2)cn1C ZINC000169339290 ID Annotated Mild CC[C@H](C(=O)NO)[C@H](CO)Cc1c[n+](CC(=O)c2ccc(Br)cc2)cn1C ZINC000169339291 ID Annotated Mild CCC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169340080 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169340082 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169340084 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169340086 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NNc2nc(N3C[C@@H](O)C[C@H]3C(=O)O)nc3ccccc23)cc1 ZINC000169340117 ID Annotated Anodyne O=C(NC1CCCCC1)NS(=O)(=O)N1CCC(CCNC(=O)C(F)(F)F)CC1 ZINC000169340742 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)c(N)n2)cc1 ZINC000169342179 ID Annotated Anodyne O=c1oc2c3c(cc(OCCN4CCOCC4)c2c2c1CCCC2)O[C@H]([N+](=O)[O-])[C@H]3O ZINC000169343003 ID Annotated Bother CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@@](C)([N+](=O)[O-])[C@@H]3O ZINC000169343005 ID Annotated Bother CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@](C)([N+](=O)[O-])[C@@H]3O ZINC000169343006 ID Annotated Bother CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@@](C)([N+](=O)[O-])[C@H]3O ZINC000169343007 ID Annotated Bother CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@](C)([N+](=O)[O-])[C@H]3O ZINC000169343008 ID Annotated Bother COC(=O)[C@@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccccn1)N(C)[C@@H]2c1ccccn1 ZINC000169343853 ID Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](N3CCOCC3)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000169344009 ID Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](N3CCOCC3)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000169344010 ID Annotated Anodyne O=C(O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1 ZINC000169344449 ID Annotated Bother O=C(O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1 ZINC000169344450 ID Annotated Bother N[C@@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(S(N)(=O)=O)c2cc(Cl)ccc21 ZINC000169346647 ID Annotated Anodyne N[C@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(S(N)(=O)=O)c2cc(Cl)ccc21 ZINC000169346648 ID Annotated Anodyne CSc1ccc2c(c1)c(S(N)(=O)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@@H]1N ZINC000169346660 ID Annotated Anodyne CSc1ccc2c(c1)c(S(N)(=O)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@H]1N ZINC000169346661 ID Annotated Anodyne O=C(/C=N/O)Nc1ccc[n+](Cc2ccccc2C[n+]2cccc(NC(=O)/C=N/O)c2)c1 ZINC000169348199 ID Annotated Mild O=C(/C=N/O)Nc1ccc[n+](Cc2cccc(C[n+]3cccc(NC(=O)/C=N/O)c3)c2)c1 ZINC000169348200 ID Annotated Mild O=C(/C=N/O)Nc1ccc[n+](Cc2ccc(C[n+]3cccc(NC(=O)/C=N/O)c3)cc2)c1 ZINC000169348201 ID Annotated Mild C=CCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(CC#CC)c1ccccc13 ZINC000169350033 ID Annotated Mild C=CCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(CC#CC)c1ccccc13 ZINC000169350035 ID Annotated Mild Nc1nc(C(F)(F)F)cc(=O)n1Cc1cn(-c2n[nH]c3nc(C(F)(F)F)ccc23)nn1 ZINC000169351927 ID Annotated Anodyne COC(=O)[C@H](C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 ZINC000169352018 ID Annotated Anodyne COC(=O)[C@@H](C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 ZINC000169352019 ID Annotated Anodyne O=C(C[C@@H]1C/C=C/C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H]2CCCN2C1=O)NCCO ZINC000169352914 ID Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(=O)C(F)(F)F)=N[C@@H]1c1ccc(Br)cc1 ZINC000169353690 ID Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(=O)C(F)(F)F)=N[C@@H]1c1ccc(Br)cc1 ZINC000169353691 ID Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(=O)C(F)(F)F)=N[C@H]1c1ccc(Br)cc1 ZINC000169353692 ID Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(=O)C(F)(F)F)=N[C@H]1c1ccc(Br)cc1 ZINC000169353693 ID Annotated Anodyne COCn1c(CC(O)(COCc2ccccc2)COCc2ccccc2)cc(=O)[nH]c1=O ZINC000169353941 ID Annotated Anodyne Cc1ncc(CNC2CCN(CCn3c(=O)ccc4c3ccc(=O)n4C)CC2)cc1C#N ZINC000169354082 ID Annotated Mild COc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(OC)c(C#N)c4)CC3)c2c1 ZINC000169354085 ID Annotated Mild COc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)n4)CC3)c2c1 ZINC000169354086 ID Annotated Mild COc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)c4)CC3)c2n1 ZINC000169354088 ID Annotated Mild COc1cnc2ncc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)c4)CC3)c2c1 ZINC000169354091 ID Annotated Mild C=CCN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169354981 ID Annotated Mild C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169354983 ID Annotated Mild O=C(C[C@@H]1C/C=C/C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@@H]2CCCN2C1=O)NCCO ZINC000169354994 ID Annotated Anodyne O=C(O)[C@@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169354995 ID Annotated Anodyne O=C(O)[C@@H](CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169354996 ID Annotated Anodyne O=C(O)[C@H](CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169354997 ID Annotated Anodyne C[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000169355837 ID Annotated Anodyne C[C@@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000169355842 ID Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N\OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O ZINC000169356510 ID Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N/OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O ZINC000169356511 ID Annotated Mild C[C@H]1COC(=O)[C@@H](N)CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000169356602 ID Annotated Anodyne C=C(C)C(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000169358599 ID Annotated Mild C=C(C)C(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000169358600 ID Annotated Mild COC(=O)[C@@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccnc1)N(C)[C@@H]2c1cccnc1 ZINC000169360425 ID Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H]3[C@@H]4C[C@H]5[C@@]6([C@@H](OC(C)=O)CC[C@@]5(C)CN(C)[C@@H]46)[C@@H]3[C@H]1[C@@]1(CO1)[C@H]2O ZINC000169363935 ID Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H]3[C@@H]4C[C@H]5[C@@]6([C@@H](OC(C)=O)CC[C@@]5(C)CN(C)[C@H]46)[C@@H]3[C@H]1[C@@]1(CO1)[C@H]2O ZINC000169363936 ID Annotated Anodyne CC(=O)O[C@@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)NCCC(=O)NCc3ccccc3)[C@H]12 ZINC000169364489 ID Annotated Mild CSCO[C@]1(C)CO[C@@](C)(CC(=O)NC[C@@H]2C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000169365077 ID Annotated Anodyne CSCO[C@]1(C)CO[C@](C)(CC(=O)NC[C@@H]2C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000169365078 ID Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@@]12CO2 ZINC000169365780 ID Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@@]12CO2 ZINC000169365781 ID Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1c1c(O)c(C)c(N=C3C=CC(=N)C=C3)c(O)c1[C@@H]2COC(N)=O ZINC000169365784 ID Annotated Mild CO[C@@]12[C@@H](COC(N)=O)c3c(O)c(N=C4C=CC(=N)C=C4)c(C)c(O)c3N1C[C@@H]1N[C@H]12 ZINC000169365785 ID Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1c1c(O)c(C)c(N=C3C=CC(=N)C=C3)c(O)c1[C@@H]2COC(N)=O ZINC000169365786 ID Annotated Mild O=C(C[C@H]1C/C=C/C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@@H]2CCCN2C1=O)NCCO ZINC000169367868 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@H]1[C@H]2OC(C)=O ZINC000169372600 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@@H]5[C@H]6OC(C)=O)[C@H](C[C@@H]23)[C@@H]14 ZINC000169372601 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O ZINC000169372602 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(C)=O)[C@H](C[C@@H]23)[C@@H]14 ZINC000169372603 ID Annotated Anodyne CC1=C[C@@H]2O[C@H]3C(=O)[C@@H](OC(=O)CCl)[C@](C)([C@@]2(COC(=O)CCl)CC1)[C@@]31CO1 ZINC000169372786 ID Annotated Reactive CC1=C[C@H]2O[C@H]3C(=O)[C@@H](OC(=O)CCl)[C@](C)([C@@]2(COC(=O)CCl)CC1)[C@@]31CO1 ZINC000169372787 ID Annotated Reactive O=c1ccn(CO[C@@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]1 ZINC000169372943 ID Annotated Bother O=c1ccn(CO[C@@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]1 ZINC000169372944 ID Annotated Bother CC(=O)OC[C@]12C[C@H](Br)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000169373217 ID Annotated Reactive CC(=O)OC[C@]12C[C@H](Br)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000169373218 ID Annotated Reactive CCCC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169373224 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169373225 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169373226 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169373227 ID Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169413786 ID Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](CC[C@@H]3/C(=N/NC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]32)C1=O ZINC000169615296 ID Annotated Reactive CCN1C(=O)[C@H]2CC[C@@H]3/C(=N\NC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@@H]2C1=O ZINC000169615297 ID Annotated Reactive CCN1C(=O)[C@H]2CC[C@@H]3/C(=N/NC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@@H]2C1=O ZINC000169615298 ID Annotated Reactive CCN1C(=O)[C@@H]2[C@@H](CC[C@H]3/C(=N\NC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@@H]23)C1=O ZINC000169615299 ID Annotated Reactive CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](OC)([C@H]5[C@H]6O)[C@@H]([C@@H](OC(C)=O)[C@@H]32)[C@@H]14 ZINC000169639168 ID Annotated Anodyne C/C=C(\C=C(C)\C=C(C)\C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000169642156 ID Annotated Mild C=C1[C@@H](O)C[C@@]2(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)[C@@]45C[C@@H](C)[C@@H](OC(=O)[C@@H](C)CC)[C@@]4(O5)[C@H]1[C@@H]23 ZINC000169651183 ID Annotated Mild CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@@]14OC(=O)N[C@@]324 ZINC000169668996 ID Annotated Anodyne C[C@@]12CC[C@H]3O[C@]3(C)[C@H](O)C[C@@H]3[C@H](OC(=O)[C@H]3CN3CCN(c4ccccc4)CC3)[C@H]1O2 ZINC000169674106 ID Annotated Anodyne Cc1onc([C@@H]2CCCNC2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000169685457 ID Annotated Anodyne Cc1onc([C@H]2CCCNC2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000169685458 ID Annotated Anodyne Cc1onc([C@@H]2CCCCN2)c1CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000169685485 ID Annotated Anodyne Cc1onc([C@H]2CCCCN2)c1CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000169685486 ID Annotated Anodyne C=c1cc2[nH]c(=O)/c(=C\c3ccc(OCCOc4ccccc4)c(OCC)c3)c(=N)n2o1 ZINC000169686859 ID Annotated Anodyne C=c1cc2[nH]c(=O)/c(=C/c3ccc(OCCOc4ccccc4)c(OCC)c3)c(=N)n2o1 ZINC000169686860 ID Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1 ZINC000169687274 ID Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1 ZINC000169687275 ID Annotated Anodyne Cc1ccc([C@@H]2[C@H](C(=O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1 ZINC000169687276 ID Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1 ZINC000169687277 ID Annotated Anodyne C=c1[nH]/c(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(O)c1C(=O)OC ZINC000169687569 ID Annotated Anodyne C=c1[nH]/c(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(O)c1C(=O)OC ZINC000169687570 ID Annotated Anodyne COc1cccc(-n2c(O)c(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)[nH]c2=O)c1 ZINC000169688822 ID Annotated Mild COc1cccc(-n2c(O)c3[nH][nH]c(C(=O)CN4C(=O)c5ccccc5C4=O)c-3c2=O)c1 ZINC000169689601 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000169689722 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000169689723 ID Annotated Anodyne C=c1cc2[nH]c(=O)/c(=C\c3ccc(OCCOc4ccccc4OC)c(OC)c3)c(=N)n2o1 ZINC000169689872 ID Annotated Anodyne O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H]2[C@H](c3ccccc3)c3sc(=O)[nH]c3S[C@@H]21 ZINC000169690279 ID Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000169690280 ID Annotated Anodyne O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@H](c5ccccc5)c5sc(=O)[nH]c5S[C@@H]43)[C@H]2C1=O ZINC000169690281 ID Annotated Anodyne O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000169690282 ID Annotated Anodyne C=c1[nH]/c(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)c(O)c1C(=O)OCC ZINC000169690423 ID Annotated Anodyne C[C@]1(O)C([C@H]2C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc32)=Nc2ccccc21 ZINC000169692439 ID Annotated Anodyne C[C@@]1(O)C([C@H]2C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc32)=Nc2ccccc21 ZINC000169692440 ID Annotated Anodyne C[C@]1(O)C([C@@H]2C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc32)=Nc2ccccc21 ZINC000169692441 ID Annotated Anodyne C[C@@]1(O)C([C@@H]2C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc32)=Nc2ccccc21 ZINC000169692442 ID Annotated Anodyne CN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)[C@@H](C1=Nc3ccccc3[C@@]1(C)O)C(=O)N2 ZINC000169692443 ID Annotated Anodyne CN(C)CCN(C)S(=O)(=O)c1ccc2c(c1)[C@H](C1=Nc3ccccc3[C@@]1(C)O)C(=O)N2 ZINC000169692444 ID Annotated Anodyne C=[S@@](N)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(-n2c(NC)nc3ccccc32)n1 ZINC000169694616 ID Annotated Anodyne C=[S@](N)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(-n2c(NC)nc3ccccc32)n1 ZINC000169694617 ID Annotated Anodyne CCc1nc(N)nc(N2CCC(OC)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000169697501 ID Annotated Mild CCc1nc(N)nc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000169697502 ID Annotated Mild CCc1nc(N)nc(N2CCC(C)(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000169697506 ID Annotated Mild COCCNc1cc(C(=O)O)nc2c(-c3ccc(O)cc3)nc(N3CCOCC3)nc12 ZINC000169698799 ID Annotated Anodyne CN(CCO)c1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12 ZINC000169698812 ID Annotated Anodyne CS(=O)(=O)c1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12 ZINC000169698813 ID Annotated Anodyne CS(=O)(=O)c1cc(C(=O)O)nc2c(-c3ccc(O)c(F)c3)nc(N3CCOCC3)nc12 ZINC000169698817 ID Annotated Anodyne CS(=O)(=O)c1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12 ZINC000169698821 ID Annotated Anodyne Cc1cc(O)ccc1-c1nc(N2CCOCC2)nc2c(N(C)CCO)cc(C(=O)O)nc12 ZINC000169698822 ID Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CCNCC(F)(F)C1 ZINC000169699302 ID Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3cccc(=O)[nH]3)sc2N)c1N1CCC[C@H](N)CC1 ZINC000169699444 ID Annotated Anodyne Cc1c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)[C@H](F)CC3)c(N)s2)cnn1C ZINC000169699478 ID Annotated Anodyne Cc1nn(C)cc1-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)[C@H](F)CC2)c(N)s1 ZINC000169699482 ID Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4C4=NN(C)CN4)C[C@@H]3C2)ncc1Cl ZINC000169700877 ID Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CN[C@@H]1c1cc(F)c(F)cc1F ZINC000169701982 ID Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CN[C@H]1c1cc(F)c(F)cc1F ZINC000169701983 ID Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CN(CC(=O)N2CC[C@@H](F)C2)[C@@H]1c1cc(F)ccc1F ZINC000169701986 ID Annotated Anodyne CN1C[C@H](N2Cc3cn(S(C)(=O)=O)nc3C2)C[C@H](N)[C@@H]1c1cc(F)c(F)cc1F ZINC000169701987 ID Annotated Anodyne COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(C)(O)C3)c2n1 ZINC000169704227 ID Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4nnnn4n3)c2)c2cncnc21 ZINC000169707711 ID Annotated Anodyne CC(C)c1cn(CC(=O)Nc2cncc(C(=O)c3cn([C@H](C)CO)c4ncncc34)c2)nn1 ZINC000169707761 ID Annotated Anodyne CS(=O)(=O)n1cc2c(n1)CN([C@H]1CS[C@@H](c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 ZINC000169708406 ID Annotated Anodyne Nc1ccc(S(=O)(=O)N2CCN(Cc3nc4c5c(cccc5n3)C(=O)N=N4)CC2)cc1 ZINC000169710187 ID Annotated Anodyne COc1ccc(Cn2ccc3c(O)c(C(=O)NCCC(=O)O)ncc3c2=O)c(OC)c1 ZINC000169710953 ID Annotated Anodyne O=C(NCCNC(=O)C(F)(F)F)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710976 ID Annotated Anodyne CN(CCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O)C(=O)C(F)(F)F ZINC000169710981 ID Annotated Anodyne CC(C)NC(=O)N(C)CCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710982 ID Annotated Anodyne O=C(NCCCNC(=O)C(F)(F)F)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710986 ID Annotated Anodyne CC(C)NC(=O)NCCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710987 ID Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3cnccn3)c(=O)n2Cc2ccccc2)c1O ZINC000169711029 ID Annotated Anodyne Cn1cc(-c2cc3c(O)c(C(=O)NCCC(=O)O)ncc3n(Cc3ccccc3)c2=O)cn1 ZINC000169711036 ID Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3cncnc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711037 ID Annotated Anodyne CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)C(=O)[C@@H](C)C1=O ZINC000169715192 ID Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)C(=O)[C@H](C)C1=O ZINC000169715193 ID Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)C(=O)[C@@H](C)C1=O ZINC000169715201 ID Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)C(=O)[C@H](C)C1=O ZINC000169715202 ID Annotated Mild Cc1cc(OCC2CC[N+](=C(N)N)CC2)cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000169716245 ID Annotated Bother C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\C=C\C=C\CO)OP(=O)(O)O ZINC000169717283 ID Annotated Anodyne CCOC(=O)C(=O)CC(=O)c1ccc2ncc(C(=O)CC(=O)C(=O)OCC)c(O)c2c1 ZINC000169719361 ID Annotated Anodyne CCC(=O)[C@@H]1C(=O)[C@@H](C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719648 ID Annotated Anodyne CCC(=O)[C@H]1C(=O)[C@@H](C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719649 ID Annotated Anodyne CCC(=O)[C@@H]1C(=O)[C@H](C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719650 ID Annotated Anodyne CCC(=O)[C@H]1C(=O)[C@H](C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719651 ID Annotated Anodyne CCCC(=O)[C@@H]1C(=O)[C@@H](C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719658 ID Annotated Anodyne CCCC(=O)[C@H]1C(=O)[C@@H](C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719659 ID Annotated Anodyne CCCC(=O)[C@@H]1C(=O)[C@H](C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719660 ID Annotated Anodyne CCCC(=O)[C@H]1C(=O)[C@H](C[C@@H]2C(=O)[C@@H](C(=O)CC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719661 ID Annotated Anodyne C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2ccc(OC)c(Br)c12 ZINC000169719835 ID Annotated Anodyne CC[C@@H]1C=C2C(=O)N(N)C(SCCCN3CCN(c4ncccn4)CC3)=N[C@@H]2S1 ZINC000169720997 ID Annotated Anodyne CC[C@H]1C=C2C(=O)N(N)C(SCCCN3CCN(c4ncccn4)CC3)=N[C@@H]2S1 ZINC000169720998 ID Annotated Anodyne CC[C@@H]1C=C2C(=O)N(N)C(SCCCN3CCN(c4ncccn4)CC3)=N[C@H]2S1 ZINC000169720999 ID Annotated Anodyne CC[C@H]1C=C2C(=O)N(N)C(SCCCN3CCN(c4ncccn4)CC3)=N[C@H]2S1 ZINC000169721000 ID Annotated Anodyne COc1cc(C/N=N/c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc(OC)c1O ZINC000169722471 ID Annotated Clean C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)[C@@H]1C(=NCCS1(=O)=O)C3=O ZINC000169723901 ID Annotated Clean C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)[C@H]1C(=NCCS1(=O)=O)C3=O ZINC000169723902 ID Annotated Clean Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1cc[n+]([O-])cc1 ZINC000169724679 ID Annotated Anodyne COC1=C(C(=O)[C@@H](C)[C@H]2[C@@H](O)CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@H]23)OC(=O)[C@@H]1C ZINC000169727407 ID Annotated Mild COC1=C(C(=O)[C@@H](C)[C@H]2[C@@H](O)CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@H]23)OC(=O)[C@H]1C ZINC000169727408 ID Annotated Mild CC(=O)O[C@H]1[C@@H](O)C2=C3[C@]4(C)[C@@H]1C(C)(C)C(=O)C[C@H]4[C@]3(O)[C@H](OC(C)=O)[C@@]1(C[C@H]1C)C2=O ZINC000017063383 ID Annotated Mild CC(=O)O[C@H]1[C@@H](O)C2=C3[C@]4(C)[C@@H]1C(C)(C)C(=O)C[C@H]4[C@]3(O)[C@H](OC(C)=O)[C@@]1(C[C@@H]1C)C2=O ZINC000017063385 ID Annotated Mild CC(=O)O[C@H]1[C@@H](O)C2=C3[C@]4(C)[C@@H]1C(C)(C)C(=O)C[C@H]4[C@]3(O)[C@H](OC(C)=O)[C@]1(C[C@H]1C)C2=O ZINC000017063387 ID Annotated Mild CC(=O)O[C@H]1[C@@H](O)C2=C3[C@]4(C)[C@@H]1C(C)(C)C(=O)C[C@H]4[C@]3(O)[C@H](OC(C)=O)[C@]1(C[C@@H]1C)C2=O ZINC000017063389 ID Annotated Mild C=C(C)C(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000017125293 ID Annotated Mild C=C(C)C(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000017125299 ID Annotated Mild Cc1ccc(NC(=O)/C(=N/NC(=O)CC#N)[C@@H]2C(=O)N(c3ccccc3)N=C2N)cc1C ZINC000017191943 ID Annotated Reactive CCOC(=O)[C@@H]1C=C2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]2[C@@H]2C(=O)CCC(=O)[C@]21C(=O)OC ZINC000017197980 ID Annotated Anodyne O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)COc1ccccc1Cl ZINC000017199956 ID Annotated Reactive CCOC(=O)[C@H](CC#Cc1ccc(C#CC[C@@H](NC(C)=O)C(=O)OCC)cc1)NC(C)=O ZINC000017249155 ID Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCC2 ZINC000017252473 ID Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCC2 ZINC000017252475 ID Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCC2 ZINC000017252479 ID Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCC2 ZINC000017252484 ID Annotated Mild C/C(=N\NC(=S)NCCCNC(=S)N/N=C(\C)c1ccccn1)c1ccccn1 ZINC000017252682 ID Annotated Mild CC(C)(C)OC(=O)NCC(=O)N[C@H]1CC=CC[C@H]1NC(=O)CNC(=O)OC(C)(C)C ZINC000017257931 ID Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](n2c(N)c(C#N)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017260882 ID Annotated Mild CC(=O)O[C@H]1CO[C@H](n2c(N)c(C#N)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017260886 ID Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@]1(O)C(=O)OC[C@@]1(O)C2 ZINC000017312072 ID Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C)OB(CC[C@H](N)C(=O)NS(=O)(=O)c4ccc(N)cc4)O[C@]13C2 ZINC000170026891 ID Annotated Mild CC1(C)[C@@H]2CC[C@]3(C)OB(CC[C@H](N)C(=O)NS(=O)(=O)c4ccc(N)cc4)O[C@]13C2 ZINC000170026894 ID Annotated Mild CCN1C(=O)[C@H]2CC[C@H]3/C(=N\NC(=O)OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000017723725 ID Annotated Reactive CCOC(=O)/C=c1\s/c(=C\c2ccc(C)cc2)c(=O)n1CC(=O)NCc1ccco1 ZINC000017837204 ID Annotated Anodyne O=C(O)[C@@H](CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000017975982 ID Annotated Anodyne COc1c(-c2nc3nc(N4CCN(C)CC4)ccc3[nH]2)cc(OC)c2c1nc(CO)n2C ZINC000018120391 ID Annotated Anodyne O=C(O)[C@H](CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000018255734 ID Annotated Anodyne COC(=O)[C@@]1(CCC(=O)N(C)c2ccccc2)NN[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019168498 ID Annotated Anodyne COC(=O)[C@]1(CCC(=O)N(C)c2ccccc2)NN[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019168499 ID Annotated Anodyne CC(C)Cn1c(CN2CCN(c3ncccn3)CC2)cnc1S(=O)(=O)C[C@@H]1CCCO1 ZINC000019227201 ID Annotated Anodyne CC(C)Cn1c(CN2CCN(c3ncccn3)CC2)cnc1S(=O)(=O)C[C@H]1CCCO1 ZINC000019227204 ID Annotated Anodyne COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NC[C@@H]1CCCO1 ZINC000019234385 ID Annotated Bother COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NC[C@H]1CCCO1 ZINC000019234386 ID Annotated Bother COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000019460591 ID Annotated Anodyne Cc1ccn2cc(C(=O)N3CCOc4ccc(CN5CCN(CCO)CC5)cc4C3)nc2c1 ZINC000019739633 ID Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(Cc1ccsc1)CC2 ZINC000019839122 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000195030811 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000195030838 ID Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N2N=Cc3sc(Br)cc3B2O)cc1 ZINC000195055180 ID Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1CC(=O)O ZINC000195206238 ID Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@H]1CC(=O)O ZINC000195206248 ID Annotated Mild O=C1[C@H]2[C@H]([C@H]3CC[C@@H]2[C@@H]2C[C@@H]32)S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000195297614 ID Annotated Anodyne O=C1[C@@H]2[C@H]([C@H]3CC[C@@H]2[C@@H]2C[C@@H]32)S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000195297628 ID Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H]([C@@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]31 ZINC000195297641 ID Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@H]([C@@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]31 ZINC000195297650 ID Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C ZINC000195332591 ID Annotated Anodyne C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 ZINC000195338194 ID Annotated Mild CCN1C(=O)[C@@H]2[C@@H](CC[C@H]3/C(=N/NC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@@H]23)C1=O ZINC000195369859 ID Annotated Reactive CCN1C(=O)[C@H]2CC[C@H]3/C(=N/NC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@@H]2C1=O ZINC000195369868 ID Annotated Reactive CCN1C(=O)[C@H]2CC[C@H]3/C(=N\NC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@@H]2C1=O ZINC000195369875 ID Annotated Reactive O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1CN(S(=O)(=O)C1CC1)C2 ZINC000195374636 ID Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CN(S(=O)(=O)C3CC3)C[C@H]1Cc1[nH]ncc12 ZINC000195374712 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000195376610 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000195376618 ID Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000195395166 ID Annotated Mild C=CCN1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C ZINC000195395171 ID Annotated Mild C=CCN1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000195395177 ID Annotated Mild C=CCN1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C ZINC000195395183 ID Annotated Mild COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@@H]1[C@H]3OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000195421180 ID Annotated Anodyne COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@@H]1[C@H]3OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000195421186 ID Annotated Anodyne COCCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(C)c1ccccc13 ZINC000195424724 ID Annotated Anodyne COCCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(C)c1ccccc13 ZINC000195424732 ID Annotated Anodyne COC(=O)[C@@]1(CCC(=O)N(C)c2ccccc2)NN[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000195431299 ID Annotated Anodyne COC(=O)[C@]1(CCC(=O)N(C)c2ccccc2)NN[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000195431306 ID Annotated Anodyne COC(=O)[C@@]12O[C@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)[C@@H](CC(=O)OC(C)(C)C)C2=O ZINC000195454768 ID Annotated Anodyne COc1cccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)C(=O)OC(C)(C)C)c1 ZINC000195475171 ID Annotated Reactive COc1cccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)C(=O)OC(C)(C)C)c1 ZINC000195475176 ID Annotated Reactive CC1(CC2=C(C(=O)NCCO[Si](C)(C)C(C)(C)C)C3(OCCO3)C2=O)OCCO1 ZINC000195487684 ID Annotated Reactive COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@]34O ZINC000195505519 ID Annotated Bother COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@]34O ZINC000195505523 ID Annotated Bother CO[C@@H]1CC(=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@]23C(C(=O)c2ccccc2)=C(C)N[C@@]13O ZINC000195509007 ID Annotated Mild CO[C@@H]1CC(=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@]23C(C(=O)c2ccccc2)=C(C)N[C@@]13O ZINC000195509010 ID Annotated Mild CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)C[C@@]13O[C@H](C4=CC(=O)O[C@@H]4O)[C@@](C)(CC[C@H]21)C3=O ZINC000197208015 ID Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@H](Cc3occc3[C@@]2(C)O)[C@@]2(C)[C@@H](O)CC(=C(C)C)[C@]12O ZINC000197414398 ID Annotated Anodyne C=C(C)[C@@H]1C[C@]2(OC)O[C@]3(C=C2C(=O)OC)[C@H]2[C@H](C(C(=O)OC)=C[C@@H]13)[C@H](O)C[C@]2(C)O ZINC000197456047 ID Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 ZINC000198041982 ID Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 ZINC000198041987 ID Annotated Mild biogenic C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 ZINC000198041993 ID Annotated Mild biogenic Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)C(C)(C)C[C@@]3(O)C=C(C=O)[C@]12O ZINC000198238192 ID Annotated Reactive in-man endogenous COc1cc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000198346439 ID Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000198346450 ID Annotated Anodyne Cn1c(OC2CCN(c3ccc(N4CCNCC4)cc3)CC2)nc(-c2ccncn2)cc1=O ZINC000198761822 ID Annotated Anodyne Cc1cnnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O ZINC000198797083 ID Annotated Anodyne O=S1(=O)C[C@@H](N2CC=CC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000199221458 ID Annotated Anodyne O=S1(=O)C[C@H](N2CC=CC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000199221480 ID Annotated Anodyne COC(=O)C(C(=O)OC)c1cc2c(cc1CNS(=O)(=O)c1ccc(C)cc1)OCO2 ZINC000199228126 ID Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000199233561 ID Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000199233580 ID Annotated Anodyne CC(C)NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000199236594 ID Annotated Anodyne CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000199236612 ID Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CCc1ccccc1F ZINC000199237556 ID Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CCc1ccccc1F ZINC000199237573 ID Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CCc1ccc(O)cc1 ZINC000199237616 ID Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CCc1ccc(O)cc1 ZINC000199237632 ID Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]2OC[C@H](CO)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000199247133 ID Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)cc(OC)c1O ZINC000199665023 ID Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)cc(OC)c1O ZINC000199665043 ID Annotated Anodyne COCCN1Cc2cc(C(=O)OC)c3c(c2C1=O)c1cc(OC)ccc1n3S(C)(=O)=O ZINC000199732139 ID Annotated Anodyne COCCNC(=S)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199737335 ID Annotated Anodyne C[C@@](O)(C(F)F)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO ZINC000199959540 ID Annotated Mild in-vitro COc1cccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1 ZINC000002436912 ID Annotated Mild Cc1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000002457581 ID Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000002457586 ID Annotated Anodyne Cc1sc2ncn(CC(=O)NC(C)C)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000002461402 ID Annotated Anodyne Cc1sc2ncn(CC(=O)NC(C)C)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000002461403 ID Annotated Anodyne Cc1sc2ncn(CC(=O)NC(C)C)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000002461405 ID Annotated Anodyne O=C(NCCCN1CCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464858 ID Annotated Anodyne Cc1c(C(=O)NCCN2CCCC2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000002477413 ID Annotated Anodyne Cc1c(C(=O)NCCN2CCCC2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002477417 ID Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480259 ID Annotated Bother O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480260 ID Annotated Bother CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)=O)c1ccc(Br)cc12 ZINC000002480664 ID Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C(C)=O)c1ccc(Br)cc12 ZINC000002480665 ID Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002483160 ID Annotated Bother O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002483162 ID Annotated Bother CNC(=O)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492701 ID Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492702 ID Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492703 ID Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492704 ID Annotated Anodyne COCCCN[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492737 ID Annotated Anodyne COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492738 ID Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCCN1CCCC1=O)c1cc(C(N)=O)ccc1O2 ZINC000002492747 ID Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCCCN1CCCC1=O)c1cc(C(N)=O)ccc1O2 ZINC000002492748 ID Annotated Anodyne O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NC[C@H]1CCCO1 ZINC000002493589 ID Annotated Anodyne O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NC[C@@H]1CCCO1 ZINC000002493591 ID Annotated Anodyne CC[C@@H](C)NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCCCC3)c2c1=O ZINC000002494382 ID Annotated Anodyne CC[C@H](C)NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCCCC3)c2c1=O ZINC000002494384 ID Annotated Anodyne O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC[C@@H]1COc2ccccc2O1 ZINC000002496280 ID Annotated Anodyne O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC[C@H]1COc2ccccc2O1 ZINC000002496281 ID Annotated Anodyne N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 ZINC000020059742 ID Annotated Mild Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000020098296 ID Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000020098298 ID Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC[C@@H]4CCCO4)c(=O)c3c2)CC1 ZINC000020104541 ID Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC[C@H]4CCCO4)c(=O)c3c2)CC1 ZINC000020104543 ID Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCOCC3)c21 ZINC000020114068 ID Annotated Anodyne CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)N(CCNC(C)=O)C1=S ZINC000020115120 ID Annotated Anodyne CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)N(CCNC(C)=O)C1=S ZINC000020115122 ID Annotated Anodyne O=C(Nc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1)[C@@H]1CCCO1 ZINC000020116761 ID Annotated Anodyne O=C(Nc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1)[C@H]1CCCO1 ZINC000020116763 ID Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@H](c2ccccc2F)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150423 ID Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150514 ID Annotated Anodyne N#Cc1cc2cc3c(cc2nc1NCCNC(=S)NCCCN1CCOCC1)OCO3 ZINC000020151308 ID Annotated Mild CCc1nn2c(=O)c(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)c(C)nc2s1 ZINC000020178058 ID Annotated Anodyne Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000020239575 ID Annotated Anodyne CCN1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1 ZINC000020240355 ID Annotated Anodyne O=C(NC(=O)C1CCNCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C[S@@]2=O ZINC000020243344 ID Annotated Anodyne O=C(NC(=O)C1CCNCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C[S@]2=O ZINC000020243346 ID Annotated Anodyne CC[C@@H](C(=O)NCCCN1CCN(CC)CC1)n1nc(C)n2c(cc3occc32)c1=O ZINC000020416828 ID Annotated Anodyne CC[C@H](C(=O)NCCCN1CCN(CC)CC1)n1nc(C)n2c(cc3occc32)c1=O ZINC000020416831 ID Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)[C@@H]1C ZINC000020484325 ID Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)[C@@H]1C ZINC000020484331 ID Annotated Anodyne COC(=O)[C@@H](CSc1ccc(C(=O)O)c2nc3cccc(C(=O)O)c3nc12)NC(C)=O ZINC000200021454 ID Annotated Bother CC[C@H](C)CO[C@@H]1[C@H](OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H](OCC(C)C)[C@H]1OC(C)=O ZINC000200220090 ID Annotated Anodyne C[C@H]1C(=O)N2c3ccccc3[C@@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1C=O ZINC000200703037 ID Annotated Anodyne O=C1N=c2ccc(S(=O)(=O)NCc3cccnc3)cc2=C1NNc1ccccc1Cl ZINC000200775655 ID Annotated Anodyne O=C1N=c2ccc(S(=O)(=O)NCc3cccs3)cc2=C1NNc1ccccc1Cl ZINC000200775714 ID Annotated Anodyne O=C1N=c2ccc(S(=O)(=O)NCc3ccco3)cc2=C1NNc1ccccc1Cl ZINC000200775775 ID Annotated Anodyne O=C1N=c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2=C1NNc1ccccc1C(=O)O ZINC000200777524 ID Annotated Anodyne O=C1N=c2ccc(S(=O)(=O)NCc3ccccn3)cc2=C1NNc1ccccc1Cl ZINC000200778010 ID Annotated Anodyne O=C1N=c2ccc(S(=O)(=O)NCc3ccncc3)cc2=C1NNc1ccccc1Cl ZINC000200778152 ID Annotated Anodyne COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC ZINC000201462623 ID Annotated Anodyne COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC ZINC000201462652 ID Annotated Anodyne CCOC(=O)Cc1nc(N2CCN(CCN)CC2)c2c(C)c(C(=O)OCC)sc2n1 ZINC000201463745 ID Annotated Anodyne CCOC(=O)Cc1nc(N2CCN(CCO)CC2)c2c(C)c(C(=O)OCC)sc2n1 ZINC000201485834 ID Annotated Anodyne CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2C[C@@H]2OC2(C)C)[C@]2(CC[C@H]1OC(=O)N[C@@H](C(N)=O)C(C)C)CO2 ZINC000203193567 ID Annotated Anodyne CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2C[C@H]2OC2(C)C)[C@]2(CC[C@H]1OC(=O)N[C@@H](C(N)=O)C(C)C)CO2 ZINC000203193693 ID Annotated Anodyne C[C@]1(c2nnnn2Cc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 ZINC000203465419 ID Annotated Anodyne C[C@@]1(c2nnnn2Cc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 ZINC000203465422 ID Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)NCCCN2CCCC2=O)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466582 ID Annotated Mild C=CCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466607 ID Annotated Mild C=CCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)OCC)CC2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466612 ID Annotated Mild CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000203468907 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)N3CCCC4=C3[C@@]2(C(=O)OCC)CCC4)CC1 ZINC000203468915 ID Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCCCN1CCCC1=O ZINC000203469045 ID Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000203469070 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)N3CCCC4=C3[C@@]2(C(=O)OC)CCCC4)CC1 ZINC000203469078 ID Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCCCN2CCCC2=O)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469299 ID Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469315 ID Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)OCC)CC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469319 ID Annotated Mild NC1=[N+](Cc2ccccc2)C[C@H]2C(=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1 ZINC000203471245 ID Annotated Anodyne C/C(=C/c1c[n+](Cc2ccc3c(c2)OCO3)c(N)[nH]1)Cn1[nH]c(=O)n(-c2ccccc2)c1=O ZINC000203471263 ID Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2 ZINC000203472420 ID Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCN(C(=O)C3CC3)CC1)C2 ZINC000203472440 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@]3(C(=O)OCC)CCC4=C3N(CCC4)C2=O)CC1 ZINC000203472446 ID Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCCCN1CCCC1=O ZINC000203472648 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccno4)cc3C(=O)N2C)O1 ZINC000203473621 ID Annotated Anodyne COCCNS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000204956855 ID Annotated Mild O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020511351 ID Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020511354 ID Annotated Anodyne O=C(CCc1nc(CN2CCN(S(=O)(=O)c3cccs3)CC2)no1)N1CCCC1 ZINC000020562323 ID Annotated Anodyne O=C(CCCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCN1CCOCC1 ZINC000020562946 ID Annotated Anodyne CN1CCN(CCCNC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000020574646 ID Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)C1 ZINC000020724124 ID Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)C1 ZINC000020724128 ID Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)C1 ZINC000020724132 ID Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)C1 ZINC000020724136 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)CC1 ZINC000020724804 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)CC1 ZINC000020724808 ID Annotated Anodyne CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NCCOC)cc3)c(=O)c2=O)CC1 ZINC000020760716 ID Annotated Anodyne O=C1CCC(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)=NN1 ZINC000020782758 ID Annotated Anodyne O=C1CCC(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)=NN1 ZINC000020782762 ID Annotated Anodyne N#C[C@H]1C[C@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000205062610 ID Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000205062627 ID Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](O)O[C@H](OC)[C@]234)[C@@H]1OC(C)=O ZINC000205076448 ID Annotated Mild C=C[C@]1(C)CC2=CC(=O)[C@@H]3[C@]4(C)C(=O)O[C@@H]([C@H]4O)[C@@H](OC(C)=O)[C@@]3(C)[C@@H]2C[C@@H]1OC(C)=O ZINC000205083753 ID Annotated Mild CN1CCN(C(=O)C2=CN3CCN(Cc4ccccc4C(F)(F)F)C(=O)N=C3O2)CC1 ZINC000205207104 ID Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3cccc(-n4cncn4)c3)OC2=NC1=O ZINC000205209734 ID Annotated Anodyne CN1CCN(C(=O)C2=COC3=NC(=O)N(Cc4ccccc4C(F)(F)F)CCN23)CC1 ZINC000205215922 ID Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCN3C(C(=O)N4CCCCC4)=COC3=NC2=O)cc1 ZINC000205221460 ID Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3c(c2)N(CCN2CCOCC2)C(=O)COC3)cc1 ZINC000205224218 ID Annotated Anodyne COc1ccc(OC)c(CC(=O)N2CCn3c(nnc3C(=O)NC3CCCCC3)C2)c1 ZINC000205227379 ID Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3c(c2)COCC(=O)N3CCN2CCOCC2)cc1 ZINC000205232551 ID Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c2c(n3C3CC3)COB2O)CC1 ZINC000205386700 ID Annotated Unstable C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ccc(Cl)cc32)[C@@H](C(=O)N2CCOCC2)CN1 ZINC000205481837 ID Annotated Anodyne CCCCCN(Cc1cc(=O)n2ccccc2n1)[C@H]1C(=O)NC(=O)N(CCCC)[C@H]1N ZINC000205606199 ID Annotated Anodyne CCCCCN(Cc1cc(=O)n2ccccc2n1)[C@@H]1C(=O)NC(=O)N(CCCC)[C@H]1N ZINC000205606216 ID Annotated Anodyne Cc1c([C@@H](O)CN2CCC[C@@H]2CNC[C@H](O)c2ccc(C#N)cn2)ccc2c1COC2=O ZINC000205636671 ID Annotated Mild Cc1c([C@@H](O)CN2CCC[C@H]2CNC[C@H](O)c2ccc(C#N)cn2)ccc2c1COC2=O ZINC000205636688 ID Annotated Mild COc1cc(O)cc([C@H](OC)[C@@H](CO)Oc2c(OC)cc(C[C@H](O)CO)cc2OC)c1 ZINC000205667251 ID Annotated Anodyne CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NC(C)(C)C#N ZINC000205800198 ID Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CN1CC[C@H](O)C1 ZINC000205815363 ID Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CN1CC[C@@H](O)C1 ZINC000205815383 ID Annotated Mild CC[C@@H]1O[C@@H]2O[C@H]([C@H]3O[C@@H]3/C=C/C=C/c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@]1(C)O ZINC000205844035 ID Annotated Anodyne CC(C)CCNC(=O)[C@@H]1CO[C@](O)([C@H](Cc2ccccc2)NC(=O)CC(C)C)CN1C ZINC000205855233 ID Annotated Anodyne CC(C)CCNC(=O)[C@H]1CO[C@](O)([C@H](Cc2ccccc2)NC(=O)CC(C)C)CN1C ZINC000205855252 ID Annotated Anodyne CC(C)CCNC(=O)[C@@H]1CO[C@@](O)([C@H](Cc2ccccc2)NC(=O)CC(C)C)CN1C ZINC000205855269 ID Annotated Anodyne CC(C)CCNC(=O)[C@H]1CO[C@@](O)([C@H](Cc2ccccc2)NC(=O)CC(C)C)CN1C ZINC000205855283 ID Annotated Anodyne N/N=C(/C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1I ZINC000206051102 ID Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000206063624 ID Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000206063850 ID Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063948 ID Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(Br)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000206064454 ID Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(Br)c3=O)[C@@H]2N1CCc1ccccc1 ZINC000206064622 ID Annotated Anodyne COC(=O)[C@@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206127532 ID Annotated Anodyne COC(=O)[C@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206127558 ID Annotated Anodyne CN(C)C(=O)[C@@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206127677 ID Annotated Anodyne CN(C)C(=O)[C@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206127706 ID Annotated Anodyne C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(S(=O)(=O)N/N=C/c4ccccc4)cc3)C(=O)[C@@H]12 ZINC000206359888 ID Annotated Mild Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000206489947 ID Annotated Anodyne CC(=O)O[C@]1(C)[C@H](OC(=O)[C@@](C)(O)[C@H](C)O)CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12 ZINC000207042741 ID Annotated Anodyne Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)NCCN1CCOCC1)c(=O)n2C ZINC000021041947 ID Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCc1nn[nH]n1 ZINC000210450808 ID Annotated Anodyne COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1O ZINC000212381358 ID Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3c(cc4c(C5CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]12 ZINC000212708966 ID Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H](N(Cc2ccco2)C(=O)CCc2nc(CCC)no2)[C@H]1N ZINC000214239860 ID Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H](N(Cc2ccco2)C(=O)CCc2nc(CCC)no2)[C@@H]1N ZINC000214239911 ID Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(Cc2ccco2)C(=O)CCc2nc(CCC)no2)[C@H]1N ZINC000214239981 ID Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(Cc2ccco2)C(=O)CCc2nc(CCC)no2)[C@@H]1N ZINC000214240038 ID Annotated Anodyne O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021934005 ID Annotated Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021934009 ID Annotated Anodyne O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 ZINC000215283440 ID Annotated Reactive CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3ncc4cccnc43)n1CCO2 ZINC000215754741 ID Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)c3ccccn3)cc1-2 ZINC000215759019 ID Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@](C)(O)c3ccccn3)cc1-2 ZINC000215759086 ID Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@@](C)(O)c3ccccn3)cc1-2 ZINC000215759273 ID Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@](C)(O)c3ccccn3)cc1-2 ZINC000215759322 ID Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2CCO3)C1=O ZINC000215763027 ID Annotated Mild C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000215983187 ID Annotated Mild O=C1OCc2cc(CCC3(O)CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21 ZINC000218511366 ID Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cc(F)c(S(=O)(=O)N4CCCC4)cc32)CCN1 ZINC000219018897 ID Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(CN3CCCC3=O)cc21 ZINC000219027282 ID Annotated Anodyne C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccc(Cl)cc1S(C)(=O)=O ZINC000219121940 ID Annotated Anodyne N#C[C@H](Cc1ccc(N2CCN3CCOC[C@@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219295482 ID Annotated Mild CC(C)[C@H](O)Cc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219298215 ID Annotated Mild CC(C)[C@@H](O)Cc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219298245 ID Annotated Mild CO[C@@H]1C[C@@H]2CN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)CCN2C1 ZINC000219300148 ID Annotated Mild CN1CCO[C@@H]2CN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)C[C@@H]21 ZINC000219302996 ID Annotated Mild CN1CCO[C@@H]2CCN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)C[C@@H]21 ZINC000219303107 ID Annotated Mild CN1CCO[C@H]2CN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)CC[C@@H]21 ZINC000219303270 ID Annotated Mild CC[C@](C)(O)Cc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219311386 ID Annotated Mild CC[C@@](C)(O)Cc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219311413 ID Annotated Mild N#C[C@H](Cc1ccc(N2CC[C@H]3C(=O)NCC[C@@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219312015 ID Annotated Mild N#C[C@H](Cc1ccc(N2CC[C@@H]3C(=O)NCC[C@@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219312044 ID Annotated Mild N#C[C@H](Cc1ccc(N2CCN([C@@H]3CCOC3)CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219312392 ID Annotated Mild N#C[C@H](Cc1ccc(N2CCN([C@H]3CCOC3)CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219312425 ID Annotated Mild N#C[C@H](Cc1ccc(N2CCN3CCOC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219315367 ID Annotated Mild CC[C@H](O)Cc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219321201 ID Annotated Mild CC[C@@H](O)Cc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219321224 ID Annotated Mild N#C[C@H](Cc1ccc2c(c1)c(=O)[nH]c1c(F)cc(C(N)=O)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322772 ID Annotated Mild N#C[C@@H](Cc1ccc2c(c1)c(=O)[nH]c1c(F)cc(C(N)=O)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322799 ID Annotated Mild N#C[C@H](Cc1ccc2c(c1F)CC[C@@H](N1CCOCC1)C2)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219325326 ID Annotated Mild N#C[C@H](Cc1ccc2c(c1F)CC[C@H](N1CCOCC1)C2)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219325356 ID Annotated Mild Cn1cc([C@@H](O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)cn1 ZINC000219389265 ID Annotated Mild Cn1cc([C@H](O)c2c(C(N)=O)nc3n2CCOc2cc(F)c(C#CC(C)(C)O)cc2-3)cn1 ZINC000219389341 ID Annotated Mild CN1CCC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)C1=O ZINC000219401964 ID Annotated Mild Cn1nccc1[C@@H](O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219426269 ID Annotated Mild Cn1nccc1[C@H](O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219426335 ID Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@H](C(C)(C)O)O3)no1 ZINC000219427365 ID Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@@H](C(C)(C)O)O3)no1 ZINC000219427448 ID Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2 ZINC000219427550 ID Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](C)(O)CO3)no1 ZINC000219428581 ID Annotated Mild CNC(=O)c1c(C(N)=O)nn2c1[C@H](C)COc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2 ZINC000219430728 ID Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@](C)(F)c2sc(C(N)=O)nc2-3)C1=O ZINC000219431319 ID Annotated Mild CNC(=O)c1c(C(N)=O)nn2c1[C@@H](C)COc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2 ZINC000219434266 ID Annotated Mild C[C@@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-n2nc(C(N)=O)c(C(F)(F)F)c21 ZINC000219441019 ID Annotated Mild C[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-n2nc(C(N)=O)c(C(F)(F)F)c21 ZINC000219441094 ID Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@]2(CO3)CC2(F)F)C1=O ZINC000219448407 ID Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@@](C)(F)c2sc(C(N)=O)nc2-3)C1=O ZINC000219449536 ID Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](F)(CF)CO3)C1=O ZINC000219457073 ID Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@]2(CO3)CC2(F)F)C1=O ZINC000219468371 ID Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](F)(CF)CO3)C1=O ZINC000219480085 ID Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3noc(C)n3)cc1-2 ZINC000219482304 ID Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1n[nH]c(C2CC2)n1 ZINC000219519188 ID Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)F)n2C2CC3C2)C1=O ZINC000219520207 ID Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCC(F)(F)c2sc(C(N)=O)nc2-3)C1=O ZINC000219526838 ID Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(Cl)c2C(F)(F)CO3)C1=O ZINC000219533866 ID Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1nc(CC#N)cs1 ZINC000220008489 ID Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1nc(CC#N)cs1 ZINC000220008557 ID Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220096763 ID Annotated Mild C[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220096833 ID Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220096902 ID Annotated Mild C[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220096969 ID Annotated Mild CN(C)CC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220107562 ID Annotated Mild CN(C)CC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220107627 ID Annotated Mild CNCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220113311 ID Annotated Anodyne CNCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220114104 ID Annotated Mild CCCn1nnnc1COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O ZINC000220165379 ID Annotated Anodyne CCCn1nnnc1COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O ZINC000220165445 ID Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CCCO)ccc1-2 ZINC000220166587 ID Annotated Mild O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CCCO)ccc1-2 ZINC000220166666 ID Annotated Mild COCCOc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)N3CCN(C)CC3)c(C)c12 ZINC000220406332 ID Annotated Anodyne COCCOCc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000220466237 ID Annotated Mild COC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)n1 ZINC000220755427 ID Annotated Anodyne COCCN1CCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C[C@H]1C ZINC000220830612 ID Annotated Mild COCCN1CCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C[C@@H]1C ZINC000220830677 ID Annotated Mild COCCN1CCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000220830758 ID Annotated Mild Cc1nc(N2CCc3c(ccc(O)c3C=O)C2)sc1C(=O)NCCN1CCOCC1 ZINC000221062651 ID Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4CC(F)(F)F)nc(N3CC4CC3C4)n2)cn1 ZINC000221231106 ID Annotated Anodyne COC(=O)CCC(=O)O[C@H]1C[C@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@H]2O1 ZINC000222390669 ID Annotated Anodyne CNC(=O)[C@](C)(C(=O)NO)N(C)C(=O)c1ccc(C#Cc2ccc(CNC3CC3)cc2)cc1 ZINC000222437312 ID Annotated Mild O=C1C[C@@H](Cc2nnc(SCC(=O)N3CCCC3)n2-c2ccc(Cl)cc2)NC(=O)N1 ZINC000224409079 ID Annotated Anodyne O=C1C[C@H](Cc2nnc(SCC(=O)N3CCCC3)n2-c2ccc(Cl)cc2)NC(=O)N1 ZINC000224409131 ID Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCNC3=O)cc2F)cn1 ZINC000224712982 ID Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCO[C@H](CO)C3)cc2F)cn1 ZINC000224739261 ID Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCO[C@@H](CO)C3)cc2F)cn1 ZINC000224739310 ID Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCO[C@H](CO)C3)cc2F)cn1 ZINC000224742197 ID Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCO[C@@H](CO)C3)cc2F)cn1 ZINC000224742234 ID Annotated Anodyne CC(CO)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224753492 ID Annotated Anodyne Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3(O)CNC3)cc2F)cn1 ZINC000224759152 ID Annotated Anodyne CNC(=O)C1CN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C1 ZINC000224761219 ID Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNC[C@@H]3CO)cc2F)cn1 ZINC000224779657 ID Annotated Anodyne NC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224787405 ID Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)N3CCNC(=O)C3)cc2F)cn1 ZINC000224787844 ID Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H](O)[C@@H](O)C3)cc2F)cn1 ZINC000224799521 ID Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCC3(O)CNC3)cc2F)cn1 ZINC000224814809 ID Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cn1 ZINC000224826033 ID Annotated Anodyne C#C[C@@H]1C[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)CN1C(=O)C=C ZINC000225130973 ID Annotated Mild CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000225154317 ID Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000225154361 ID Annotated Bother CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(C#Cc2ccc(CNC3CC3)cc2)cc1 ZINC000225164201 ID Annotated Mild CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(C#Cc2ccc(CNC3CC3)cc2)cc1 ZINC000225164244 ID Annotated Mild O=C(NCCCN1CCOCC1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000227270999 ID Annotated Anodyne C[C@H]1O[C@H]2OC(=O)[C@@]3(C)C[C@@H]4[C@@]5(CO5)C5=CC(=O)OC(C)(C)C5=CC(=O)[C@@]4(C)[C@@H](C1=O)[C@@H]23 ZINC000229764055 ID Annotated Mild CN1CCN(C(=O)c2coc(CN3CCN(c4ncccn4)CC3)n2)[C@@H](c2ccccc2)C1 ZINC000023338981 ID Annotated Anodyne COc1ccc(N2CCN(C(=O)CCCn3nnnc3CN3CCOCC3)[C@@H](C)C2)cc1 ZINC000023339691 ID Annotated Clean COc1ccc(N2CCN(C(=O)CCCn3nnnc3CN3CCOCC3)[C@H](C)C2)cc1 ZINC000023339693 ID Annotated Clean CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000230074898 ID Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000230074902 ID Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@@]65O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000230074908 ID Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@@]65O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000230074912 ID Annotated Anodyne in-man C/C=C(/C=C(C)/C=C(C)\C=C/C=C(\C)C(=O)[C@@]12O[C@@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000230075752 ID Annotated Mild in-man C/C=C(/C=C(C)/C=C(C)\C=C/C=C(\C)C(=O)[C@]12O[C@@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000230075758 ID Annotated Mild in-man C/C=C(/C=C(C)/C=C(C)\C=C/C=C(\C)C(=O)[C@@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000230075767 ID Annotated Mild in-man C/C=C(/C=C(C)/C=C(C)\C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000230075775 ID Annotated Mild in-man CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C)CC(=O)O[C@@]31CC[C@@H](OC(C)=O)[C@]21CO1 ZINC000238730804 ID Annotated Anodyne CCC[C@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@H]1OC[C@H](O)[C@@H](CO)O1)=C(OC)C3=O ZINC000238731077 ID Annotated Mild COc1cc2c(cc1OC)[C@@]13CC[N+]4(CO)CC5=CCO[C@H](CC(=O)O)[C@@H]([C@@H]1N2)[C@H]5C[C@@H]34 ZINC000238731338 ID Annotated Bother C=C[C@@](C)(O)CC/C=C(\C)C[C@@H](C=C(C)C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238731764 ID Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@](C)(O)[C@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238732217 ID Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)[C@H]2[C@H](CCN2C(=O)CN(C)C)Oc2cccc(c2)/C=C\NC1=O ZINC000238732296 ID Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(OC)O[C@]3(C=C2C(=O)OC)[C@@H]1C=C(C(=O)OC)[C@H]1[C@H]3[C@@](C)(O)C[C@H]1O ZINC000238732317 ID Annotated Mild Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@]3(O)C=C(C=O)[C@]12O ZINC000238733241 ID Annotated Reactive C=C(CO)C(=O)O[C@H]1C[C@@]2(C)OC(=O)[C@H](CC)[C@]23CC[C@@](C)(O)C=C2OC(=O)C(=C)[C@@]21O3 ZINC000238733315 ID Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000238734454 ID Annotated Mild CC(=O)OC[C@@]12C(=O)[C@H](O)[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC(=O)[C@]21CO1 ZINC000238734490 ID Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3[C@@H](C)O)[C@H]2O)c1C ZINC000238734667 ID Annotated Anodyne CO[C@H]1O[C@@H](c2ccoc2)C[C@]12[C@H](C)[C@H](O)[C@@H](O)[C@@]1(COC(C)=O)C(CO)=CCC[C@H]21 ZINC000238735011 ID Annotated Anodyne C[C@]12C[C@@H]3O[C@@]34C3=C(c5ccc(O)cc5C(=O)C3)[C@@H](O)C[C@@]14CO[C@@]21CC(=O)O[C@@H]1O ZINC000238735017 ID Annotated Anodyne COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@H]3[C@H](OC(C)=O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238736009 ID Annotated Anodyne C/C=C\C=C/C=C\C(=O)N[C@@H]1CCCNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000238737199 ID Annotated Anodyne C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@@]1(O)C(=O)N[C@@]2(CCO)O[C@H]21)C(=O)OC ZINC000238737298 ID Annotated Mild CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](N)Cc2cc(ccc2OC)/C=C\NC1=O ZINC000238739003 ID Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](N)Cc2cc(ccc2OC)/C=C/NC1=O ZINC000238739013 ID Annotated Anodyne Cc1c(O)cc(O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)c2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000238739250 ID Annotated Mild CC(=O)OC[C@H]1C[C@@]12C(=O)C1=C(C(=O)[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](OC(C)=O)[C@H]1O ZINC000238740453 ID Annotated Mild COC(=O)/C=C(/C=C/[C@@]1(C)[C@@H](C(=O)OC)CC[C@@]2(C)[C@@H]1[C@@H]1C=C[C@@]2(O)C(=O)O1)C(=O)OC ZINC000238740526 ID Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]2OC(=O)/C=C(/C)CO)OC1=O ZINC000238741637 ID Annotated Mild C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]1(O)C(=O)N[C@]2(CCO)O[C@H]12)C(=O)OC ZINC000238741790 ID Annotated Mild CC(=O)O[C@H]1[C@@H]2C(C)=C(C)[C@@H](O)C[C@]2(C)C2=C(C(=O)[C@]3(C[C@H]3C)[C@H](O)C2=O)[C@H]1OC(C)=O ZINC000238741837 ID Annotated Mild CC(C)=CCC/C(C)=C/CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](C)[C@H]2C)[C@@H](O)[C@H](O)[C@H]1O ZINC000238742469 ID Annotated Anodyne C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC ZINC000238742600 ID Annotated Bother CN1CCc2cc3c(cc2[C@]12Cc1ccc4c(c1[C@H]2C1=C(N)C(=O)NC1=O)OCO4)OCO3 ZINC000238743112 ID Annotated Anodyne COc1ccc(/C=C\C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1OC ZINC000238743119 ID Annotated Anodyne CC[C@@]12C[C@@H]3CN4CC[C@]5(c6ccccc6N(C)[C@@H]5[C@@](C(=O)OC)(O3)[C@@H]1OC(C)=O)[C@H]42 ZINC000238743227 ID Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@]3(O)C=C(CO)[C@]12O ZINC000238743362 ID Annotated Anodyne COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3[C@@H](OC(C)=O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238743568 ID Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@]3(C)[C@H]([C@H](C)O)O[C@](C)([C@H]2O)[C@@H]3O)c1C ZINC000238743950 ID Annotated Anodyne COC(=O)[C@H]1[C@@H]2[C@](C)(C(=O)OC)[C@@H](O)CC[C@@]2(C(=O)OC)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(C)O ZINC000238744275 ID Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)N(O)c5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000238744705 ID Annotated Anodyne COc1ccc(C(=O)O[C@H]2CCN3C[C@H]4C[C@H](CN5C(=O)C[C@@H](O)C[C@H]45)[C@@H]3C2)cc1OC ZINC000238745662 ID Annotated Anodyne CC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)[C@@H]1C=CC=C(O)[C@H]1C3=O ZINC000238745667 ID Annotated Clean CC(=O)OC[C@@]12[C@@H](O)C[C@](C)(O)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@]1(O)CCC[C@]21CO1 ZINC000238746531 ID Annotated Anodyne CCCC[C@@H](O)/C=C\C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](C)[C@@H](OC(C)=O)[C@](C)(O)[C@@H](O)[C@@H]1C ZINC000238747034 ID Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(COC3=O)[C@@H](OC(C)=O)CC[C@](C)(CO)[C@H]1COC(C)=O ZINC000238747393 ID Annotated Mild C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4[C@@H](O)[C@H](OC(C)=O)[C@]3(C2)[C@@H]1O ZINC000238747757 ID Annotated Mild C/C=C(/CO)C(=O)O[C@@H]1C2=C(C)[C@H]3C[C@@]4(CO)C(=O)O[C@H]5CC[C@H](C)[C@]1(C)[C@@]5(O)C[C@@]24O3 ZINC000238748574 ID Annotated Anodyne CC1=C[C@@]2(O)[C@](O)(C(=O)[C@H](C)C[C@@H]3C(=O)C(C)=C[C@H]3O)[C@@H]3[C@H](CC[C@H]3C)[C@@H](C)[C@@]2(O)OC1 ZINC000238748951 ID Annotated Mild CC(C)C[C@H](N)C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H]3CCCN3C(=O)[C@@H]21 ZINC000238749107 ID Annotated Anodyne C=C(CO)C(=O)O[C@H]1C[C@@]2(C)OC(=O)/C(=C\C)[C@]23CC[C@@](C)(O)C=C2OC(=O)C(=C)[C@@]21O3 ZINC000238749255 ID Annotated Mild CC[C@H](C)[C@@H]1NC(=O)[C@H]2[C@@H](CCN2C(=O)[C@@H](N)C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238749719 ID Annotated Anodyne COC(=O)N1c2c(ccc3c2OCO3)[C@@]23[C@@H]4C(=O)N5CCC[C@]6(CC[C@]12[C@@](O)(C6)C4=O)[C@H]53 ZINC000238750014 ID Annotated Anodyne C=C(CO)C(=O)O[C@H]1C[C@@]2(C)OC(=O)/C(=C\C)[C@]2(O)CC[C@]2(C)C=C3OC(=O)C(=C)[C@@]31O2 ZINC000238750408 ID Annotated Mild COC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000238751423 ID Annotated Bother CC(=O)OCC1=C2/C(=C\[C@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]2OC(=O)/C=C(\C)CO)OC1=O ZINC000238751686 ID Annotated Mild CC[C@@]12COCN1[C@H]1C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]1[C@H]2[C@@H]3OC(C)=O ZINC000238751727 ID Annotated Anodyne COC(=O)[C@@H]1CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@@H]12 ZINC000238752201 ID Annotated Anodyne CC[C@]12[C@H]3CCN4CC[C@@]5(c6ccccc6N(C)[C@H]5[C@](C(=O)OC)(O3)[C@@H]1OC(C)=O)[C@@H]42 ZINC000238752457 ID Annotated Anodyne CC(C)=CCC/C(C)=C/CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](C)[C@H]2C)[C@@H](O)[C@H](O)[C@H]1O ZINC000238752801 ID Annotated Anodyne CC(=O)On1c2c(c3cc(O)c(Br)cc31)CCN1OCSC[C@@H](N)[C@@H]21 ZINC000238752822 ID Annotated Mild C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)[C@@](C)(O)CC[C@H](OC(C)=O)[C@](C)(O)CCC2=O ZINC000238752867 ID Annotated Mild COc1cc2oc3cc(OC)c([C@H]4O[C@@H](CO)C[C@@H](O)[C@@H]4O)cc3c(=O)c2cc1OC ZINC000238752920 ID Annotated Bother C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@@H]1[C@]2(C)CC[C@@H](OC=O)[C@@]1(C)COC(C)=O ZINC000238753099 ID Annotated Mild C[C@H]1C[C@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H]1C[C@H](O)[C@]3(O)[C@@H](C)O1 ZINC000238753225 ID Annotated Mild COc1cc2c(cc1OC)[C@@]13CCN(C#N)CC4=CCO[C@H]5CC(=O)N2[C@H]1[C@H]5[C@H]4CC3=O ZINC000238753893 ID Annotated Anodyne CCCCCC[C@@H](O)C(=O)O[C@H]1CC(C)(C)[C@H]2CC=C(C=O)[C@@H]3[C@@H](O)OC(=O)[C@@]32[C@H]1O ZINC000238754112 ID Annotated Reactive COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3[C@H](OC(C)=O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238754517 ID Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2OC(=O)/C(C)=C/CO)OC1=O ZINC000238754676 ID Annotated Anodyne C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)C[C@@H](OC(C)=O)C(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]2(O)C1=O ZINC000238756208 ID Annotated Mild C[C@@H]1C=C[C@H]2CCCC[C@H]2[C@H]1C(=O)c1c(O)c([C@@]23CC[C@H](O)[C@@H](O2)[C@H]3O)cn(O)c1=O ZINC000238756222 ID Annotated Anodyne COc1ccc2c(c1OC)N1C(=O)C[C@H]3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@@H]5[C@@H]3[C@H]14 ZINC000238756589 ID Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CC[C@](C)(CO)[C@H]1COC(C)=O ZINC000238758531 ID Annotated Mild COC(=O)c1cc(/C=C\C(C)(C)O)c(O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(CC=C(C)C)c1 ZINC000238759852 ID Annotated Anodyne COC(=O)c1cc(/C=C/C(C)(C)O)c(O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(CC=C(C)C)c1 ZINC000238759862 ID Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@](C)(OC(C)=O)C[C@@H]2OC(C)=O)OC1=O ZINC000238760364 ID Annotated Anodyne CO/N=C/C=C\C(=O)NC/C=C/[C@@H]1OC(=O)c2c(O)cccc2/C=C/C=C\[C@H]2O[C@H]2[C@@H]1O ZINC000238760531 ID Annotated Mild CCC1=CCN2CC[C@]34c5ccccc5N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@H]24 ZINC000238760627 ID Annotated Anodyne CCCC[C@@H](O)/C=C/C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](C)[C@@H](OC(C)=O)[C@](C)(O)[C@@H](O)[C@@H]1C ZINC000238761366 ID Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H]([C@H](C)O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO ZINC000238761465 ID Annotated Mild C=C(CO)C(=O)O[C@H]1CC[C@@]2(CO2)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)C)C[C@@]12C ZINC000238761505 ID Annotated Mild CC[C@@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC000238762837 ID Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]12[C@@H]([C@@H](O)[C@]3(O)O[C@H]1OCC(C)C)C(C)(C)CC[C@H]2O ZINC000238762999 ID Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3[C@@H](O)C(=O)[C@@H]12 ZINC000238763078 ID Annotated Anodyne CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2(Cc3ccn4c3[C@@H](O)CC4)CC[C@H](O)[C@@H]12)C(C)C ZINC000238763131 ID Annotated Bother COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@](C)(OC(C)=O)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238763524 ID Annotated Mild C=C[C@](C)(O)CC/C=C(\C)C[C@@H](C=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238763583 ID Annotated Mild C=C[C@](C)(C/C=C/C(C)(C)OO)O[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@H]1O ZINC000238763991 ID Annotated Reactive C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@H]2C=O)[C@@H]1O ZINC000238764184 ID Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@H]2C=O)[C@@H]1OC(C)=O ZINC000238764196 ID Annotated Mild CC/C=C1\C[C@@H]2C=Nc3ccc(O[C@H]4O[C@@H](C)[C@H](NC)[C@@](C)(O)[C@@H]4O)cc3C(=O)N2C1 ZINC000238764489 ID Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000238764559 ID Annotated Anodyne COC(=O)[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3[C@@H](O)C[C@H]21 ZINC000238764662 ID Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN(C)C[C@@]45O[C@@H]4CO[C@@H]4CC(=O)N2[C@H]1[C@H]4[C@H]5CC3=O ZINC000238764679 ID Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CC[C@@H](O)[C@@]3(C(C)=O)C2)OC[C@@H](O)[C@@H]1O ZINC000238764965 ID Annotated Anodyne CCCCCC[C@@H](O)/C=C/OC(=O)[C@H]1[C@@H](C)OC(=O)[C@@H](C)[C@H](O)[C@](C)(O)[C@H](O)[C@@H]1C ZINC000238765045 ID Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5ccccc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32 ZINC000238765329 ID Annotated Anodyne COC/C=C1/CN2[C@@H]3C[C@]4(C(=O)Nc5c(OC)cc(OC)c(OC)c54)[C@H]2C[C@H]1[C@@H]3OC ZINC000238765398 ID Annotated Anodyne Cc1c(O)cc(O[C@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)c2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000238765834 ID Annotated Mild C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@]3(O)CC[C@H](O)[C@H]4O[C@H]43)cn(O)c2=O)C1 ZINC000238765871 ID Annotated Anodyne C/C=C(\C=C(C)\C(C)=C\C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000238766063 ID Annotated Mild C/C=C(/C)C(=O)O[C@H]1C/C(CO)=C\[C@H]2O[C@H]2[C@@](C)(O)/C=C2/OC(=O)C(COC(C)=O)=C21 ZINC000238766373 ID Annotated Anodyne CC1(C)OC(=O)C=C[C@]12CC[C@]13C[C@]4(C)C(=O)[C@](C)(C[C@H]1[C@@]2(C)O)[C@]31COC(=O)[C@@H]1[C@H]4O ZINC000238766406 ID Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@H](C)C[C@@H]2OC(=O)/C(C)=C/CO)OC1=O ZINC000238766421 ID Annotated Anodyne C/C=C/C=C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)C[C@H](O)C[C@H](C)O)C(=O)[C@@]23O[C@@H]3O1 ZINC000238766477 ID Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@H]3[C@H](O)C(=O)[C@@H]12 ZINC000238766926 ID Annotated Anodyne CC(=O)N1[C@@H](C)C(=O)N2c3ccccc3[C@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@H]21 ZINC000238767693 ID Annotated Anodyne CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2(Cc3ccn4c3[C@@H](O)CC4)CC[C@H](O)[C@@H]12)C(C)C ZINC000238768258 ID Annotated Bother COC(=O)[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@H]3C(=O)C[C@@H]12 ZINC000238768597 ID Annotated Anodyne CSc1ccc(C(=O)O)c2nc3cccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)c3nc12 ZINC000238769021 ID Annotated Bother COC(=O)[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@H]3C(=O)C[C@H]21 ZINC000238769044 ID Annotated Anodyne C/C=C(\C=C(C)\C=C(C)/C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000238769108 ID Annotated Mild C=C(COC(C)=O)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](OC(C)=O)[C@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238769396 ID Annotated Mild C[C@@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)(O)O ZINC000238769471 ID Annotated Anodyne COc1cc2c(cc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)-c1ccc(O)cc1CC=C2CO ZINC000238770408 ID Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@H]12 ZINC000238770615 ID Annotated Mild C[C@@H]1C(=O)C[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3OC(=O)/C=C/c1ccccc1)[C@@H](C)[C@@]21COC1=O ZINC000238770963 ID Annotated Anodyne COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000238770996 ID Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O[C@H](O)CCO ZINC000238771068 ID Annotated Anodyne O=C1NCC[C@@H]2[C@H](c3ccccc3)[C@H](O)C(=O)N2CCCCN[C@H](c2ccccc2)[C@H]1O ZINC000238772299 ID Annotated Anodyne CC(=O)CCC[C@]1(C)CC[C@@H](C(C)(C)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC(C)=O)CC1=O ZINC000238772461 ID Annotated Anodyne C/C=C(\C=C(C)\C=C(C)\C=C/C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000238772670 ID Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)[C@@H](CC(C)C)[C@H]12 ZINC000238773008 ID Annotated Reactive CC(=O)O[C@H]1[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CC[C@H](C(C)=O)[C@@]3(O)C2)OC[C@@H](O)[C@@H]1O ZINC000238773063 ID Annotated Anodyne C=CC[C@]12[C@@H]3[C@@H]4C(OC)(OC)C(=O)[C@@]1(OC)[C@@H]1[C@H]2[C@](OC)(C(=O)C3(OC)OC)[C@]41CC=C ZINC000238773158 ID Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@@](C)(O)[C@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238773191 ID Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OCC)/C(C=O)=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](COC)[C@H]12 ZINC000238773915 ID Annotated Reactive CC(C)C[C@H](N)C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@@H]3CCCN3C(=O)[C@H]21 ZINC000238773928 ID Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN(C)CC4=CCO[C@H]5CC(=O)N2[C@H]1[C@H]5[C@@]4(O)CC3=O ZINC000238774088 ID Annotated Anodyne C=C(CO)C(=O)O[C@H]1C[C@@]2(C)OC(=O)/C(=C/C)[C@]23CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@]12O3 ZINC000238774268 ID Annotated Mild C/C=C/C(=O)O[C@H]1CN2Cc3cc4c(cc3[C@]13C=C[C@H](OC(=O)C[C@H](C)O)C[C@H]23)OCO4 ZINC000238774420 ID Annotated Anodyne C[C@@]12O[C@@H](O)[C@@H](NC(=O)/C=C/CCCCCC/C=C/CO)C[C@@]1(O)C(=O)C=C[C@H]2Cl ZINC000238775438 ID Annotated Reactive CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H]3CCCN3C(=O)[C@@H]21 ZINC000238776106 ID Annotated Anodyne CN[C@H]1CN2[C@@H](Cc3ccc(OC)cc3)[C@H](O)[C@@H]3C[C@]2(CC[C@H]3OP(=O)(O)O)C1 ZINC000238776923 ID Annotated Anodyne CC(=O)[C@@]1(C(=O)c2ccccc2)C(=O)[C@](C)(O)[C@]2(C(C)(C)O)O[C@@H](C)C[C@@H](C(=O)O)C[C@@H]12 ZINC000238777691 ID Annotated Anodyne CC[C@]12CCCN3CC[C@@]4(c5ccccc5N([C@H]5O[C@@H](CO)C(=O)[C@@H](O)[C@@H]5O)[C@H]4CC1)[C@@H]32 ZINC000238778352 ID Annotated Anodyne COC/C=C1/CN2[C@@H]3C[C@@]4(C(=O)Nc5c(OC)cc(OC)c(OC)c54)[C@H]2C[C@H]1[C@@H]3CO ZINC000238778506 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@]13C[C@@]2(C)O ZINC000238778536 ID Annotated Anodyne CC(=O)OCC1=C(C)[C@@H]2[C@H](O)[C@@H](OC(C)=O)C3=C(C(=O)[C@H](O)[C@@]4(C[C@@H]4C)C3=O)[C@@]2(C)CC1 ZINC000238778567 ID Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(CO)C[C@@H](OC(=O)[C@@](C)(O)CCl)[C@@H]12 ZINC000238779140 ID Annotated Reactive COc1c2c(cc3c1[C@](O)(C(=O)c1ccc4c(c1C(=O)O)OCO4)[N+](C)(C)CC3)OCO2 ZINC000238779263 ID Annotated Mild CC[C@H](C)[C@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)CN(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238779933 ID Annotated Anodyne CC(=O)OC[C@H]1C[C@]12C(=O)C1=C(C(=O)[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](OC(C)=O)[C@H]1O ZINC000238780036 ID Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(OC(C)=O)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238780505 ID Annotated Mild COc1cc(=O)oc(/C=C\C=C/C=C\[C@@H]2O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3[C@@H](C)O)[C@H]2O)c1C ZINC000238780809 ID Annotated Anodyne COc1cc(=O)oc(/C=C/C=C\C=C/[C@@H]2O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3[C@@H](C)O)[C@H]2O)c1C ZINC000238780815 ID Annotated Anodyne COc1cc(=O)oc(/C=C\C=C\C=C/[C@@H]2O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3[C@@H](C)O)[C@H]2O)c1C ZINC000238780820 ID Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C\[C@@H]2O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3[C@@H](C)O)[C@H]2O)c1C ZINC000238780827 ID Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2O)[C@@]12[C@H](O)O[C@@H]3C[C@@H]1C(C)(C)CC[C@H]2OC(C)=O ZINC000238781069 ID Annotated Mild COC(=O)[C@@H]1CO[C@@H](C)[C@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000238781083 ID Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(O)[C@]3(CC(=O)[C@]4(C)[C@@](OC(=O)c5ccccc5)(OC[C@@]42C)[C@H]3O)[C@H]1C ZINC000238782425 ID Annotated Anodyne Cc1c(O)c(C)c2c3c1O[C@H](c1ccccc1)C[C@H]3O[C@H]1[C@H](O2)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000238782737 ID Annotated Anodyne C[C@@H]1C(=O)C[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3OC(=O)/C=C\c1ccccc1)[C@@H](C)[C@@]21COC1=O ZINC000238782809 ID Annotated Anodyne COC1=CC(=O)[C@]2([C@@H](Cl)C[C@@]34C(OC)=C(OC)C(=O)C[C@]32CCN4C)[C@H]1OC(C)=O ZINC000238782943 ID Annotated Reactive CC[C@@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O ZINC000238783450 ID Annotated Clean CC(=O)O[C@H](C)[C@@](C)(O)C(=O)OC[C@H]1CCN2CC[C@@H](OC(=O)c3ccccc3O)[C@@H]12 ZINC000238783676 ID Annotated Anodyne CCCC(=O)[C@H]1C(=O)[C@@H](C[C@@H]2C(=O)[C@@H](C)C(=O)[C@@H](C(=O)CCC)C2=O)C(=O)C(C)(C)C1=O ZINC000238784046 ID Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)C2=C(C(=O)[C@H](OC(C)=O)[C@@]3(C[C@H]3C)C2=O)[C@@]2(C)CCC(=O)C(C)(C)[C@H]12 ZINC000238784142 ID Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](OC(C)=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238784325 ID Annotated Mild C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]1(C(N)=O)O[C@H]1C(=O)CCO)C(=O)OC ZINC000238784550 ID Annotated Mild CC(=O)O[C@@H]1C[C@]2(O)[C@]3(CC(=O)[C@]4(C)[C@@](OC(=O)C5=C(C)CCC5)(OC[C@@]42C)[C@H]3O)[C@H]1C ZINC000238784571 ID Annotated Anodyne CO[C@H]1O[C@@H](OC)[C@@H](O)[C@]1(O)CC[C@@]1(C)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@H]12 ZINC000238784650 ID Annotated Anodyne C=C(C(=O)OC)[C@@H]1C[C@H](O)[C@@H]2[C@]3(C1)C(=O)OC[C@]21[C@@H](OC(C)=O)CCC(C)(C)[C@H]1[C@@H]3O ZINC000238785256 ID Annotated Mild C[C@@]12O[C@@H](O)[C@@H](NC(=O)/C=C\CCCCCC/C=C/CO)C[C@@]1(O)C(=O)C=C[C@H]2Cl ZINC000238786107 ID Annotated Reactive C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@H]1C(=O)N[C@@](O)(CCO)[C@@H]1O)C(=O)OC ZINC000238786324 ID Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CC(C)(C)O)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@@H]3OC ZINC000238786435 ID Annotated Anodyne COC(=O)[C@H](C[C@]1(O)c2ccccc2N2C(=O)C(C)(C)N[C@H]21)n1cnc2ccccc2c1=O ZINC000238786551 ID Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@H](OC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238786934 ID Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@H]12 ZINC000238787692 ID Annotated Mild CCC(=O)OCN1C(=O)C(c2ccc(O)cc2)=C(c2ccc(O)cc2)[C@@]1(O)C(=O)OC ZINC000238787875 ID Annotated Anodyne C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@H]1C(=O)N[C@](O)(CCO)[C@@H]1O)C(=O)OC ZINC000238787975 ID Annotated Mild C/C=C(\C=C(C)\C(C)=C/C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000238787999 ID Annotated Mild C/C=C(/C=C(C)/C(C)=C\C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000238788001 ID Annotated Mild C/C=C(\C=C(C)/C(C)=C\C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000238788002 ID Annotated Mild C/C=C(/C=C(C)\C(C)=C/C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000238788004 ID Annotated Mild C/C=C(\C=C(C)\C=C(C)\C=C\C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000238788166 ID Annotated Mild CC[C@H]1/C(OC)=C\CCCN2C(=O)[C@]3(C[C@@H]2[C@H]2C[C@@H](C)C(=O)O2)OC(=O)[C@H](C)[C@@H]3[C@@H]1O ZINC000238788728 ID Annotated Anodyne COC1=C(OC)C(=O)[C@@]23C(=C1)C(=O)[C@](C)(O)[C@]2(C)[C@@H](O)c1cc2c(c(OC)c13)OCO2 ZINC000238788759 ID Annotated Mild C/C=C/C=C\C=C/C(=O)N[C@@H]1CCCNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000238789190 ID Annotated Anodyne C/C=C\C=C\C=C/C(=O)N[C@@H]1CCCNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000238789191 ID Annotated Anodyne C/C=C/C=C/C=C\C(=O)N[C@@H]1CCCNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000238789193 ID Annotated Anodyne COC/C=C1\CN2[C@@H]3C[C@@]4(C(=O)Nc5c(OC)cc(OC)c(OC)c54)[C@H]2C[C@H]1[C@@H]3CO ZINC000238789207 ID Annotated Anodyne CCCCCC[C@@H](O)/C=C\C(=O)O[C@@H]1[C@@H](C)[C@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)OC1(C)C ZINC000238789377 ID Annotated Anodyne CN(C)C(=O)[C@@H](C1CCC(c2ccc3ncnn3c2)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1 ZINC000024923125 ID Annotated Anodyne COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)c1 ZINC000002616917 ID Annotated Anodyne COc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1 ZINC000002628723 ID Annotated Reactive COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000002634724 ID Annotated Anodyne COc1ccc2c(c1)CCC[C@]21NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000002634725 ID Annotated Anodyne Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)[C@@H]2CC(=O)N1CCc2ccccc2C1 ZINC000002636102 ID Annotated Anodyne CCOC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000002863666 ID Annotated Anodyne CCOC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000002863667 ID Annotated Anodyne Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000002922305 ID Annotated Anodyne CCN(CC)CCNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C ZINC000002922376 ID Annotated Anodyne CCN1CCN(C(=O)c2sc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c3c2C)CC1 ZINC000002922406 ID Annotated Anodyne CCN1CCN(C(=O)c2sc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2C)CC1 ZINC000002922408 ID Annotated Anodyne COCCNC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000002923166 ID Annotated Anodyne COc1ccc(CCNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2N)cc1OC ZINC000002957717 ID Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)C1 ZINC000002964797 ID Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)C1 ZINC000002964799 ID Annotated Anodyne O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCc2ccccc2C1 ZINC000002965086 ID Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000002990887 ID Annotated Anodyne O=C(NCCCN1CCOCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250083789 ID Annotated Anodyne O=C(NCCCN1CCOCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250083795 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250529922 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250529925 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000250529929 ID Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000250529933 ID Annotated Anodyne C[C@@H]1[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)CCC[C@H]1C ZINC000251920111 ID Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000251920114 ID Annotated Anodyne C[C@@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)CCC[C@H]1C ZINC000251928358 ID Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cc(Br)cnc1N ZINC000251928361 ID Annotated Anodyne COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000253634215 ID Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000253634217 ID Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000253634219 ID Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000253634222 ID Annotated Bother CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](CC(=O)O)O[C@H](CO)[C@H](O)[C@H]1O ZINC000253636538 ID Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](CC(=O)O)O[C@H](CO)[C@@H](O)[C@H]1O ZINC000253636541 ID Annotated Mild CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3csc(CN4CCCC4)n3)[C@@H]12 ZINC000253641010 ID Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@H](O)[C@]3(CO3)[C@@H]1[C@@H]1[C@@H]2[C@H]2C[C@H]3[C@@]14[C@@H](OC(C)=O)CC[C@@]3(C)CN(C)[C@@H]24 ZINC000253667882 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253688410 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253688425 ID Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)c2cc(C(C)(C)C)ccn2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253699065 ID Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2cc(C(C)(C)C)ccn2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253699081 ID Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2cc(C(C)(C)C)ccn2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253699088 ID Annotated Reactive CCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)c1 ZINC000253706593 ID Annotated Reactive CCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)c1 ZINC000253706606 ID Annotated Reactive CCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)c1 ZINC000253706613 ID Annotated Reactive CCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000253706617 ID Annotated Reactive CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253712298 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253712306 ID Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1ccc(S(=O)(=O)N/N=C/c3ccc(O)cc3)cc1)[C@H]1C=C[C@H]2O1 ZINC000253809935 ID Annotated Mild Cc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000253907785 ID Annotated Reactive Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000253995095 ID Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000253995098 ID Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)sc2n1 ZINC000253995113 ID Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)sc2n1 ZINC000253995117 ID Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@]23C[C@@H](CO)NC3=N1 ZINC000254013400 ID Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](CC[C@@H]3C(=NNC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]32)C1=O ZINC000254015038 ID Annotated Reactive CCN1C(=O)[C@@H]2CC[C@@H]3C(=NNC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@H]2C1=O ZINC000254015043 ID Annotated Reactive CCN1C(=O)[C@@H]2CC[C@@H]3C(=NNC(=O)OCc4ccccc4)C[C@H](O)[C@H](O)[C@@H]3[C@H]2C1=O ZINC000254015051 ID Annotated Reactive CCN1C(=O)[C@H]2[C@@H]3[C@H](CC[C@H]2C1=O)C(=NNC(=O)OCc1ccccc1)C[C@H](O)[C@@H]3O ZINC000254015057 ID Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1=S)CCC2 ZINC000254073756 ID Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1=S)CCC2 ZINC000254073825 ID Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c1=S)CCC2 ZINC000254073828 ID Annotated Mild CC(=O)O[C@@H]1[C@H](O)C2=C3[C@@]4(C)[C@H](CC(=O)C(C)(C)[C@H]14)[C@]3(O)[C@H](OC(C)=O)[C@]1(C[C@@H]1C)C2=O ZINC000254096065 ID Annotated Mild CC(=O)O[C@@H]1[C@H](O)C2=C3[C@@]4(C)[C@H](CC(=O)C(C)(C)[C@H]14)[C@]3(O)[C@H](OC(C)=O)[C@@]1(C[C@@H]1C)C2=O ZINC000254096068 ID Annotated Mild CC(=O)O[C@@H]1[C@H](O)C2=C3[C@@]4(C)[C@H](CC(=O)C(C)(C)[C@H]14)[C@]3(O)[C@H](OC(C)=O)[C@@]1(C[C@H]1C)C2=O ZINC000254096072 ID Annotated Mild CC(=O)O[C@@H]1[C@H](O)C2=C3[C@@]4(C)[C@H](CC(=O)C(C)(C)[C@H]14)[C@]3(O)[C@H](OC(C)=O)[C@]1(C[C@H]1C)C2=O ZINC000254096074 ID Annotated Mild COc1ccc(C=c2s/c(=C3\C(=O)Nc4cc(F)ccc43)n(CCN(C)C)c2=O)cc1 ZINC000254103569 ID Annotated Anodyne COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@H]31)[C@H]2OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000254114879 ID Annotated Anodyne COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](OC(=O)[C@](OC)(c4ccccc4)C(F)(F)F)[C@@H]1C[C@@H]32 ZINC000254114883 ID Annotated Anodyne COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@H]31)[C@@H]2OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000254114888 ID Annotated Anodyne CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@H]1O ZINC000254121023 ID Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC000254121026 ID Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O ZINC000254121029 ID Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O ZINC000254121032 ID Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(O)nc(=O)c3sccc32)[C@H](Br)[C@H]1OC(C)=O ZINC000254145322 ID Annotated Reactive CC(=O)OC[C@@H]1O[C@H](n2c(O)nc(=O)c3sccc32)[C@H](Br)[C@@H]1OC(C)=O ZINC000254145327 ID Annotated Reactive COC(=O)[C@@]12O[C@@](C)([C@H](CC(=O)OC(C)(C)C)C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000254169908 ID Annotated Anodyne COC(=O)[C@@]12O[C@@](C)([C@H](CC(=O)OC(C)(C)C)C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000254169910 ID Annotated Anodyne COC(=O)[C@@]12O[C@@](C)([C@H](CC(=O)OC(C)(C)C)C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000254169911 ID Annotated Anodyne CC(C)N(C(=O)[C@@]12[C@@H]3[C@@H]4[C@@]5(C(=O)O)[C@H]([C@H]1[C@@]35I)[C@]42C(=O)O)C(C)C ZINC000254200542 ID Annotated Anodyne CC(C)N(C(=O)[C@@]12[C@@H]3[C@@H]4[C@@]5(C(=O)O)[C@H]([C@@H]1[C@@]35I)[C@]42C(=O)O)C(C)C ZINC000254200543 ID Annotated Anodyne CC(C)N(C(=O)[C@@]12[C@@H]3[C@@H]4[C@@]5(C(=O)O)[C@@H]([C@H]1[C@@]35I)[C@]42C(=O)O)C(C)C ZINC000254200544 ID Annotated Anodyne C=CCn1c(=NC(=O)[C@@H]2COc3ccccc3O2)sc2cc(S(N)(=O)=O)ccc21 ZINC000254293748 ID Annotated Mild C=CCn1c(=NC(=O)[C@H]2COc3ccccc3O2)sc2cc(S(N)(=O)=O)ccc21 ZINC000254293753 ID Annotated Mild COC(=O)Cn1c(=NC(=O)CSCC(=O)Nc2cc(C)on2)sc2ccccc21 ZINC000254492902 ID Annotated Anodyne COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254500881 ID Annotated Mild COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254500884 ID Annotated Mild COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254500885 ID Annotated Mild COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254500887 ID Annotated Mild COCCn1c(=NC(=O)[C@@H]2COc3ccccc3O2)sc2cc(S(N)(=O)=O)ccc21 ZINC000254556996 ID Annotated Anodyne COCCn1c(=NC(=O)[C@H]2COc3ccccc3O2)sc2cc(S(N)(=O)=O)ccc21 ZINC000254556997 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)CSCC(=O)N=c2sc3ccccc3n2C)CC1 ZINC000254622310 ID Annotated Anodyne COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254818036 ID Annotated Mild COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254818037 ID Annotated Mild COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254818038 ID Annotated Mild COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254818039 ID Annotated Mild COCCn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2cc(S(N)(=O)=O)ccc21 ZINC000254827374 ID Annotated Anodyne COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254843131 ID Annotated Mild COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254843132 ID Annotated Mild COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254843133 ID Annotated Mild COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254843134 ID Annotated Mild O=C(NN=Cc1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(F)cc1 ZINC000254876315 ID Annotated Reactive aggregator NC(=O)[C@@H]1C[C@@H](O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 ZINC000025776993 ID Annotated Anodyne NC(=O)[C@H]1C[C@@H](O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 ZINC000025776996 ID Annotated Anodyne NC(=O)[C@@H]1C[C@H](O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 ZINC000025776999 ID Annotated Anodyne NC(=O)[C@H]1C[C@H](O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 ZINC000025777002 ID Annotated Anodyne CCCCn1c(C)c(C(=O)NCCC(=O)O)s/c1=N\C(=O)c1ccc(C(=N)N)cc1 ZINC000025981728 ID Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccon3)s2)CCN1CCNc1ccncc1 ZINC000025982461 ID Annotated Anodyne O=C1c2cscc2S(=O)(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000025983127 ID Annotated Anodyne O=C1c2cscc2S(=O)(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 ZINC000025983474 ID Annotated Anodyne O=C1c2cscc2S(=O)(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1 ZINC000025986460 ID Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)c7ccccc7)[C@@H](O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2 ZINC000255201278 ID Annotated Mild CO[C@H]1[CH][C@H]2[C@H](OC)[C@@H](C)[C@H](C)C[C@H]3[CH][C@@H]4OCO[C@@H]4[C@H](O)[C@H]3[C@@H]2[C@@H](OC)[C@H]1OC ZINC000255204597 ID Annotated Anodyne CC[C@@H]1[C@H]2OC(=O)[C@H](C)[C@H]2[C@]2(O)C[C@H]([C@H]3C[C@@H](C)C(=O)O3)N3CCCC[C@]14OC(=O)N[C@@]342 ZINC000255208623 ID Annotated Anodyne CO[C@@H]1[C@@H](OC(C)=O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@](O)([C@H]1C)[C@@]23C ZINC000255209700 ID Annotated Anodyne COC(=O)[C@@H]1C[C@]23[C@H]4[C@@H]5C[C@@H](O)[C@@]2(COC(C)=O)[C@H](CC[C@H]2CC[C@H]1[C@@]23O)CN4C[C@H]5C ZINC000255210543 ID Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@@H]6[C@@]2(O)[C@@H](O)[C@H]1[C@@H](OC(C)=O)[C@@H]73 ZINC000255210983 ID Annotated Mild C[C@]12C(=O)[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=COCC=C1 ZINC000255212464 ID Annotated Mild CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@@H](OC)CC(=C[C@H](O[C@@H]13)[C@H]24)[C@H]5[C@H]6O ZINC000255218258 ID Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@@]1(C[C@H]23)OCO[C@@]12C[C@H](OC)[C@H]1C[C@]4(O)[C@@H]2[C@H]1OC ZINC000255219515 ID Annotated Anodyne C=C1[C@@H](O)C[C@@]2(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)[C@@]45C[C@@H](C)[C@@H](OC(=O)[C@H](C)CC)[C@@]4(O5)[C@H]1[C@@H]23 ZINC000255221167 ID Annotated Mild CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@@H]3[C@@H]5[C@H]1OC)[C@@H](O)[C@@H]42 ZINC000255221985 ID Annotated Anodyne CCN1[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@H]4[C@@]2([C@@H]2CC[C@@]4(C)[C@H]1O2)[C@@H]1C[C@@H]2[C@@H](OC)C[C@@]3(OC)[C@H]1[C@H]2O ZINC000255222335 ID Annotated Anodyne CO[C@H]1[C@H](OC)[CH][C@H]2[C@@H](O)[C@H](C)[C@H](C)C[C@H]3[CH][C@@H]4OCO[C@H]4[C@H](OC)[C@H]3[C@H]2[C@H]1OC ZINC000255222345 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@H]1[C@@]1(C[C@H]23)OCO[C@@]12C[C@H](OC)[C@H]1C[C@@H]4[C@@H]2[C@H]1O ZINC000255223643 ID Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](O)[C@@H](OC(=O)c7ccccc7)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2 ZINC000255225448 ID Annotated Mild C[C@]12C[C@@H](O)[C@@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000255226595 ID Annotated Anodyne COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@]34O ZINC000255246758 ID Annotated Bother C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255252505 ID Annotated Anodyne C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255252508 ID Annotated Anodyne C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@]13O[C@@H]3[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255254174 ID Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@]13O[C@@H]3[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255254175 ID Annotated Mild CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3O)[C@@]13[C@@H](OC)CC[C@@]4(CO)CN(CC)[C@@H]1[C@@H]2C[C@H]43 ZINC000255261374 ID Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@@H]3[C@@H]5[C@H]1O)C(=O)[C@@H]42 ZINC000255261647 ID Annotated Anodyne C[C@]12CC[C@H](O)[C@H](O)[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255262371 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@@H]6[C@H](O)[C@@H]5C(=C[C@H](O[C@@H]13)[C@H]24)[C@H](O)[C@@H]6OC ZINC000255263943 ID Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@@]1(C[C@]23O)OCO[C@@]12C[C@@H](OC)[C@H]1C[C@@H]4[C@@H]2[C@H]1OC ZINC000255264326 ID Annotated Anodyne CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C ZINC000255269351 ID Annotated Mild CC[C@@H]1[C@H]2OC(=O)[C@H](C)[C@H]2[C@]23C[C@H]([C@H]4C[C@@H](C)C(=O)O4)N4CCCC[C@]1(O)[C@@]42NC(=O)O3 ZINC000255270383 ID Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255271521 ID Annotated Mild COC(=O)C1=C2[C@]3(OC(C)=O)C[C@H]4C[C@H]5[C@@H]3CC[C@@H](C)N5[C@@]24[C@H]2CCC[C@@H](O)[C@@H]2[C@H]1O ZINC000255271738 ID Annotated Anodyne C[C@]12C[C@@H](O)[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000255275833 ID Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@]5(C[C@H]6OC)[C@@H]5OCO[C@]5([C@@H](O)[C@@H]32)[C@@H]14 ZINC000255280322 ID Annotated Anodyne CO[C@H]1[C@H](O)[CH][C@@H]2C[C@H](C)[C@](C)(O)C[C@H]3[CH][C@@H](OC)[C@H](OC)[C@H](OC)[C@H]3[C@@H]2[C@H]1OC ZINC000255284893 ID Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6O)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14 ZINC000255284981 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(C)=O ZINC000255286804 ID Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@@H]6OC(C)=O ZINC000255286805 ID Annotated Anodyne CCN1C[C@@]2(COC)CC[C@@H](O)[C@]34[C@H]5C[C@@H]6[C@H](OC(C)=O)[C@H]5[C@@](O)(C[C@H]6OC)[C@H](C[C@@H]23)[C@H]14 ZINC000255286806 ID Annotated Anodyne C[C@]12[C@H](O)C(=O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=COCC=C1 ZINC000255287405 ID Annotated Mild C[C@@]12[C@H]3[C@H](O)C(=O)[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]4(O)[C@@H]3CC[C@@H]1C[C@@H](O)C[C@H]2O ZINC000255287533 ID Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)C(C)(C)C[C@]3(O)C=C(C=O)[C@]12O ZINC000257392046 ID Annotated Reactive Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)C(C)(C)C[C@]3(O)C=C(C=O)[C@@]12O ZINC000257392047 ID Annotated Reactive Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)C(C)(C)C[C@@]3(O)C=C(C=O)[C@@]12O ZINC000257392048 ID Annotated Reactive C=C1C(=O)[C@@]23C[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000257416179 ID Annotated Mild C=C1C(=O)[C@@]23C[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2OC(C)=O ZINC000257416180 ID Annotated Mild C=C1C(=O)[C@@]23C[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000257416181 ID Annotated Mild C=C1C(=O)[C@@]23C[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@H]2OC(C)=O ZINC000257416182 ID Annotated Mild CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@@]2(C)C=C1 ZINC000257443652 ID Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@]2(C)C=C1 ZINC000257443653 ID Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@]2(C)C=C1 ZINC000257443654 ID Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@@]2(C)C=C1 ZINC000257443655 ID Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000257510849 ID Annotated Reactive COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(O)c1 ZINC000257510850 ID Annotated Reactive COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(O)c1 ZINC000257510851 ID Annotated Reactive COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C(C)(C)C[C@]4(O)C=C(C=O)[C@@]23O)c(O)c1 ZINC000257510852 ID Annotated Reactive COC(=O)[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC/C(=C/C(=O)N(C)CCO)[C@H](C)[C@@H]3C(=O)C[C@@H]12 ZINC000257546639 ID Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2CC(=O)[C@H]3[C@@H](C)/C(=C\C(=O)N(C)CCO)CC[C@H]3[C@@]2(C)CC[C@H]1O ZINC000257546641 ID Annotated Anodyne C/C=C/C=C/C1=C2C3=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)C3=CN3CC[C@H](O)[C@H](O1)[C@@H]23 ZINC000257556249 ID Annotated Mild in-vitro Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)C(C)(C)C[C@@]3(O)C=C(CO)[C@]12O ZINC000257578814 ID Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)C(C)(C)C[C@]3(O)C=C(CO)[C@]12O ZINC000257578815 ID Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)C(C)(C)C[C@]3(O)C=C(CO)[C@@]12O ZINC000257578816 ID Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)C(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O ZINC000257578817 ID Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@@]23O)c(O)c1 ZINC000257635174 ID Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C(C)(C)C[C@]4(O)C=C(CO)[C@]23O)c(O)c1 ZINC000257635175 ID Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@]23O)c(O)c1 ZINC000257635176 ID Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)C(C)(C)C[C@]4(O)C=C(CO)[C@@]23O)c(O)c1 ZINC000257635177 ID Annotated Anodyne NC(N)=NC(=O)/C=C/c1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc3c(c2)OCO3)s1 ZINC000026167511 ID Annotated Mild NC(N)=NC(=O)/C=C/c1ccc(C(=O)N[C@H](CC(=O)O)c2ccc3c(c2)OCO3)s1 ZINC000026167516 ID Annotated Mild CCOC(=O)CCNC(=O)N1CCC2(CC1)CC(=O)N(c1ccc(C(=N)NO)cc1)C2 ZINC000026172476 ID Annotated Anodyne CCOC(=O)CCNC(=O)N1CCC2(CC1)CN(c1ccc(C(=N)NO)cc1)C(=O)N2C ZINC000026173372 ID Annotated Anodyne O=c1c(I)cc(I)c2n1C[C@H]1CNC[C@@H]2C1 ZINC000026173574 ID Annotated Anodyne CCCCOC(=O)N[C@H](CCNC(=O)C[C@@H]1CC(CC2CCNCC2)=NO1)C(=O)O ZINC000026175950 ID Annotated Anodyne CCCCOC(=O)N[C@H](CCNC(=O)C[C@H]1CC(CC2CCNCC2)=NO1)C(=O)O ZINC000026175956 ID Annotated Anodyne C[C@@H]1O[C@@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@@H](F)[C@@H](O)[C@@H]1O ZINC000026180382 ID Annotated Clean C[C@H]1O[C@@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@@H](F)[C@@H](O)[C@@H]1O ZINC000026180387 ID Annotated Clean C[C@@H]1O[C@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@@H](F)[C@@H](O)[C@@H]1O ZINC000026180390 ID Annotated Clean C[C@H]1O[C@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@@H](F)[C@@H](O)[C@@H]1O ZINC000026180395 ID Annotated Clean C[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](NC(=O)Oc2ccc(Cl)cc2)CS1(=O)=O ZINC000026249616 ID Annotated Anodyne C[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](NC(=O)Oc2ccc(Cl)cc2)CS1(=O)=O ZINC000026249623 ID Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@H](NC(=O)Oc2ccc(Cl)cc2)CS1(=O)=O ZINC000026249628 ID Annotated Anodyne C[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@H](NC(=O)Oc2ccc(Cl)cc2)CS1(=O)=O ZINC000026249634 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4cccc(C(=O)N(C)C)c4)cc3)C[C@H]12 ZINC000026278110 ID Annotated Anodyne COCn1cc(NC2=CC3=NCCc4cn(C)c(c43)C2=O)cc1C(=O)NCCCN(C)C ZINC000026279961 ID Annotated Mild CCCCc1ccnc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1 ZINC000026285668 ID Annotated Reactive CCCCc1ccnc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1 ZINC000026285676 ID Annotated Reactive CCCCc1ccnc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000026285682 ID Annotated Reactive CCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000026285688 ID Annotated Reactive O=C(O)CC(=O)OCN1C(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026290898 ID Annotated Anodyne O=C(O)CC(=O)OCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026290903 ID Annotated Anodyne CS[C@@H]1O[C@@H]([C@@H](NC(=O)c2cc(C(C)(C)C)ccn2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026291588 ID Annotated Reactive CS[C@H]1O[C@@H]([C@@H](NC(=O)c2cc(C(C)(C)C)ccn2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026291593 ID Annotated Reactive CS[C@@H]1O[C@H]([C@@H](NC(=O)c2cc(C(C)(C)C)ccn2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026291597 ID Annotated Reactive CS[C@H]1O[C@H]([C@@H](NC(=O)c2cc(C(C)(C)C)ccn2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026291603 ID Annotated Reactive CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H](CNC(=O)CCNC(=O)Cc3ccccc3)[C@H]2O1 ZINC000026376203 ID Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3cnns3)CC[C@H]12)c1ccccc1 ZINC000026376274 ID Annotated Anodyne C[n+]1ccc(SC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](N)c4ccccc4)[C@H]3CC2)cc1 ZINC000026376629 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN([C@@H](C)Cn2nnn(CC)c2=O)CC1 ZINC000026377239 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN([C@H](C)Cn2nnn(CC)c2=O)CC1 ZINC000026377241 ID Annotated Anodyne CCCn1nnn(CCN2CCC(C(=O)OC)(N(C(=O)CC)c3ccccc3)CC2)c1=O ZINC000026379285 ID Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ncccn3)CC[C@H]12)c1ccccc1 ZINC000026380014 ID Annotated Anodyne CCCn1nnn(CCN2CCC(COC)(N(C(=O)CC)c3ccccc3)CC2)c1=O ZINC000026381545 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2nnn(C(C)C)c2=O)CC1 ZINC000026385339 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](C)n2nnn(CC)c2=O)CC1 ZINC000026388174 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](C)n2nnn(CC)c2=O)CC1 ZINC000026388178 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCCn2nnn(CC)c2=O)CC1 ZINC000026388541 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2nnn(C3CC3)c2=O)CC1 ZINC000026389901 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(C(C)C)c2=O)CC1 ZINC000026392652 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CSc4ncccn4)C3)[C@H](C)[C@H]12 ZINC000026475657 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@@](C)(CC(=O)NC[C@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000026477123 ID Annotated Anodyne CSCO[C@]1(C)CO[C@@](C)(CC(=O)NC[C@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000026477132 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@](C)(CC(=O)NC[C@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000026477141 ID Annotated Anodyne CSCO[C@]1(C)CO[C@](C)(CC(=O)NC[C@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000026477146 ID Annotated Anodyne NCCCCNc1ccc(NCCNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000026480024 ID Annotated Clean CSCO[C@@]1(C)CO[C@@](C)(CC(=O)OC[C@@H]2O[C@@H](N3C=C(C)CNC3=O)C[C@@H]2O)C1 ZINC000026489742 ID Annotated Anodyne CSCO[C@]1(C)CO[C@@](C)(CC(=O)OC[C@@H]2O[C@@H](N3C=C(C)CNC3=O)C[C@@H]2O)C1 ZINC000026489749 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@](C)(CC(=O)OC[C@@H]2O[C@@H](N3C=C(C)CNC3=O)C[C@@H]2O)C1 ZINC000026489755 ID Annotated Anodyne CSCO[C@]1(C)CO[C@](C)(CC(=O)OC[C@@H]2O[C@@H](N3C=C(C)CNC3=O)C[C@@H]2O)C1 ZINC000026489761 ID Annotated Anodyne C[C@H]1C(COc2ccc3occ(CN(C)C)c(=O)c3c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026495759 ID Annotated Anodyne CCOC(=O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(C(=O)O)c3)cc21 ZINC000026498574 ID Annotated Anodyne CC[C@@H]1CN(C(=O)[C@@H](C)O)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C)c3)cc12 ZINC000261072125 ID Annotated Anodyne CC(=O)NCCn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 ZINC000261076562 ID Annotated Mild O=C1[C@@H]2[C@H]3CC[C@@H]([C@@H]4C[C@H]34)[C@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000261103185 ID Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@@H]([C@@H]4C[C@@H]34)[C@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000261103186 ID Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H]([C@@H]2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]31 ZINC000261103187 ID Annotated Anodyne COc1cc2c(CNC3CCN(S(C)(=O)=O)CC3)cc3c(c2cc1OC)C(=O)NC3=O ZINC000261118367 ID Annotated Anodyne Cc1c([C@@H](O)CN2CCC[C@H]2CNC[C@@H](O)c2ccc(C#N)cn2)ccc2c1COC2=O ZINC000261129179 ID Annotated Mild Cc1c([C@@H](O)CN2CCC[C@@H]2CNC[C@@H](O)c2ccc(C#N)cn2)ccc2c1COC2=O ZINC000261129180 ID Annotated Mild N#C[C@H](Cc1ccc(N2CC[C@H]3C(=O)NCC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000261153882 ID Annotated Mild N#C[C@H](Cc1ccc(N2CC[C@@H]3C(=O)NCC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000261153883 ID Annotated Mild CNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261158070 ID Annotated Anodyne CNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261158072 ID Annotated Anodyne Cc1nc(-c2cc3ccc(O)c(C=O)c3oc2=O)sc1C(=O)NCCN1CCOCC1 ZINC000261189951 ID Annotated Anodyne C/C=C/C=C/C1=C2C3=CC(=O)[C@@](C)(OC(=O)C[C@H](C)O)C(=O)C3=CN3CC[C@H](O)[C@H](O1)[C@@H]23 ZINC000261505005 ID Annotated Mild in-vitro COc1ccc(NS(=O)(=O)c2ccc(NN=C3C=CC(=O)C(C(=O)O)=C3)cc2)nn1 ZINC000263590279 ID Annotated Mild CCCN1CCS(=O)(=O)N(Cc2cn(Cc3ccc(C)cc3)nn2)[C@@H](C(=O)OC)C1 ZINC000263590594 ID Annotated Anodyne CCCCN1CCS(=O)(=O)N(Cc2cn(Cc3ccc(C)cc3)nn2)[C@@H](C(=O)OC)C1 ZINC000263590707 ID Annotated Anodyne CC(=O)O[C@H]1C(=O)O[C@H]2O[C@]34C(=O)O[C@@H]5C[C@@H](C(C)(C)C)[C@]21[C@]53C=C1OC(=O)C(C)=C14 ZINC000263590875 ID Annotated Anodyne CC(=O)O[C@H]1C(=O)O[C@H]2O[C@]34C(=O)O[C@@H]5C[C@@H](C(C)(C)C)[C@@]21[C@]53C=C1OC(=O)C(C)=C14 ZINC000263590876 ID Annotated Anodyne CC(=O)O[C@H]1C(=O)O[C@H]2O[C@]34C(=O)O[C@@H]5C[C@@H](C(C)(C)C)[C@@]21[C@@]53C=C1OC(=O)C(C)=C14 ZINC000263590877 ID Annotated Anodyne CC(=O)O[C@H]1C(=O)O[C@H]2O[C@]34C(=O)O[C@@H]5C[C@@H](C(C)(C)C)[C@]21[C@@]53C=C1OC(=O)C(C)=C14 ZINC000263590878 ID Annotated Anodyne CC[C@@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000263590969 ID Annotated Anodyne CC[C@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000263590970 ID Annotated Anodyne O=C1C([N+](=O)[O-])=CC(Br)=C/C1=C\NN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 ZINC000263592188 ID Annotated Mild O=C1C([N+](=O)[O-])=CC(Br)=C/C1=C\NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 ZINC000263592189 ID Annotated Mild COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@@]34O ZINC000263603426 ID Annotated Bother COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@@]34O ZINC000263603427 ID Annotated Bother COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@]34O ZINC000263603428 ID Annotated Bother COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@@]34O ZINC000263603429 ID Annotated Bother C/C=C(\C=C(C)\C=C(C)\C=C\C=C(\C)C(=O)[C@]12O[C@@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000263636456 ID Annotated Mild C/C=C(/C=C(C)/C=C(C)/C=C/C=C(/C)C(=O)[C@]12O[C@@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000263636457 ID Annotated Mild C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000263636458 ID Annotated Mild C/C=C(/C=C(C)/C=C(C)/C=C/C=C(\C)C(=O)[C@]12O[C@@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000263636459 ID Annotated Mild COC(=O)[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3C(=O)C[C@@H]12 ZINC000263638254 ID Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2CC(=O)[C@H]3[C@@H](C)/C(=C/C(=O)N(C)CCO)CC[C@H]3[C@@]2(C)CC[C@H]1O ZINC000263638255 ID Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CSc3ccccc3)CS(=O)(=O)[C@H]12 ZINC000026508171 ID Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CSc3ccccc3)CS(=O)(=O)[C@@H]12 ZINC000026508176 ID Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C[S@@](=O)c3ccccc3)CS(=O)(=O)[C@H]12 ZINC000026569075 ID Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C[S@@](=O)c3ccccc3)CS(=O)(=O)[C@@H]12 ZINC000026569079 ID Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C[S@](=O)c3ccccc3)CS(=O)(=O)[C@H]12 ZINC000026569081 ID Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C[S@](=O)c3ccccc3)CS(=O)(=O)[C@@H]12 ZINC000026569085 ID Annotated Anodyne CC(=O)O[C@@H](CC#CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cn1ccnc1[N+](=O)[O-] ZINC000026575921 ID Annotated Mild CC(=O)O[C@H](CC#CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cn1ccnc1[N+](=O)[O-] ZINC000026575922 ID Annotated Mild O=C(COC(=O)[C@@H]1CCC(=O)N2CCC[C@H]2C(=O)N1)NC(c1ccccc1)c1ccccc1 ZINC000026576409 ID Annotated Anodyne O=C(O)COc1ccc(C(=O)CNC(=O)CCCC2CCNCC2)cc1OCC(=O)O ZINC000026576687 ID Annotated Anodyne COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(SCCN(C)C)s3)[nH]c2=O)cc1 ZINC000026576870 ID Annotated Anodyne CN(C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(N(C)C)cc3)[nH]c2=O)s1 ZINC000026576872 ID Annotated Clean O=c1[nH]c2cc(Cl)c(Cl)cc2n(N/C(O)=N/S(=O)(=O)c2ccccc2)c1=O ZINC000026577516 ID Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(C)no4)CC3)c(F)c2)C(=O)O1 ZINC000026637818 ID Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4ccno4)CC3)c(F)c2)C(=O)O1 ZINC000026637836 ID Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(C)no4)CC3)c(F)c2)C(=O)O1 ZINC000026639215 ID Annotated Anodyne CCCN1C(=O)[C@@H]2N[C@@H](C3CCCC3)N[C@@H]2N(CCCOC(=O)CBr)C1=O ZINC000026652615 ID Annotated Reactive CCCN1C(=O)[C@H]2N[C@@H](C3CCCC3)N[C@@H]2N(CCCOC(=O)CBr)C1=O ZINC000026652620 ID Annotated Reactive CCCN1C(=O)[C@@H]2N[C@H](C3CCCC3)N[C@@H]2N(CCCOC(=O)CBr)C1=O ZINC000026652625 ID Annotated Reactive CCCN1C(=O)[C@H]2N[C@H](C3CCCC3)N[C@@H]2N(CCCOC(=O)CBr)C1=O ZINC000026652630 ID Annotated Reactive COc1cc(CN2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)on1 ZINC000026654082 ID Annotated Anodyne CSCC[C@H](NC(=O)c1cccc2c1CCC[C@@H]2NC(=O)[C@@H](N)CS)C(=O)O ZINC000026666876 ID Annotated Mild CSCC[C@H](NC(=O)c1cccc2c1CCC[C@H]2NC(=O)[C@@H](N)CS)C(=O)O ZINC000026666881 ID Annotated Mild COc1cc(/C=C/[C@@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)on1 ZINC000026666905 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](/C=C/c4cc(Cl)no4)C3)[C@H](C)[C@H]12 ZINC000026673820 ID Annotated Anodyne NC(N)=Nc1ccc(Cl)c(N2C[C@@H](C(=O)N[C@@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000026733682 ID Annotated Mild NC(N)=Nc1ccc(Cl)c(N2C[C@H](C(=O)N[C@@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000026733686 ID Annotated Mild N=C(N)Nc1ccc(F)c(N2C[C@@H](C(=O)N[C@@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000026734663 ID Annotated Anodyne N=C(N)Nc1ccc(F)c(N2C[C@H](C(=O)N[C@@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000026734667 ID Annotated Anodyne CC(C)S(=O)(=O)N(C)C[C@H](C(=O)NO)[C@@H](CC1CCCC1)C(=O)N1CCCCC1 ZINC000026736063 ID Annotated Bother COc1cc(OC)c2c(c1)S(=O)(=O)N(CSc1nnnn1-c1ccccc1)C2=O ZINC000026739474 ID Annotated Anodyne CCOC(=O)NC(=O)O[C@@H]1CO[C@]2(COC(C)(C)O2)[C@@](O)([C@@H]2O[C@@H]2CC(C)C)[C@@H]1OC ZINC000026832936 ID Annotated Anodyne CCOC(=O)NC(=O)O[C@@H]1CO[C@]2(COC(C)(C)O2)[C@@](O)([C@H]2O[C@@H]2CC(C)C)[C@@H]1OC ZINC000026832940 ID Annotated Anodyne CCOC(=O)NC(=O)O[C@@H]1CO[C@]2(COC(C)(C)O2)[C@@](O)([C@@H]2O[C@H]2CC(C)C)[C@@H]1OC ZINC000026832944 ID Annotated Anodyne CCOC(=O)NC(=O)O[C@@H]1CO[C@]2(COC(C)(C)O2)[C@@](O)([C@H]2O[C@H]2CC(C)C)[C@@H]1OC ZINC000026832948 ID Annotated Anodyne Nc1ncnc2c1c(C1=C[C@@H](O)CC=C1)nn2C1=CCCC([P@](=O)(O)CC(=O)O)=C1 ZINC000026833178 ID Annotated Anodyne Nc1ncnc2c1c(C1=C[C@H](O)CC=C1)nn2C1=CCCC([P@](=O)(O)CC(=O)O)=C1 ZINC000026833186 ID Annotated Anodyne CN1Cc2cc(C(=O)N(CC#N)Cc3nc4ccccc4[nH]3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000026846723 ID Annotated Mild CN(Cc1nc2c(N)cccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026847611 ID Annotated Anodyne CN(Cc1nc2c([nH]1)CCCC2)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026851558 ID Annotated Anodyne CN(Cc1nc2cc(C#N)ccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026936160 ID Annotated Mild CN(C(=O)CCCS(=O)(=O)c1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1 ZINC000026936618 ID Annotated Anodyne Cc1ccc2[nH]c(CN(C)C(=O)c3ccc4c(c3)CN(C)C(=O)[C@H](CC(=O)O)N4)nc2n1 ZINC000026936647 ID Annotated Anodyne CN(Cc1nc2ccc(N)cc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026937674 ID Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OCC#CCn1cnc2c1N=CN[C@@H]2N)Oc1ccccc1 ZINC000026974054 ID Annotated Mild COC(=O)[C@H](C)N[P@@](=O)(OCC#CCn1cnc2c1N=CN[C@@H]2N)Oc1ccccc1 ZINC000026974062 ID Annotated Mild COC(=O)[C@H](C)N[P@](=O)(OCC#CCn1cnc2c1N=CN[C@@H]2N)Oc1ccccc1 ZINC000026974077 ID Annotated Mild COC(=O)C[C@H](C(=O)O)N1CCC(Nc2nc(-c3ccc(C(=N)N)cc3)cs2)CC1 ZINC000027080789 ID Annotated Anodyne COC(=O)C[C@@H](C(=O)O)N1CCC(Nc2nc(-c3ccc(C(=N)N)cc3)cs2)CC1 ZINC000027080797 ID Annotated Anodyne CC(C)N1C(=O)c2ccccc2[C@H](NC(=O)[C@H](C)NC(=O)Cc2ccco2)C(=O)N1C ZINC000027102463 ID Annotated Anodyne CC(C)N1C(=O)c2ccccc2[C@@H](NC(=O)[C@H](C)NC(=O)Cc2ccco2)C(=O)N1C ZINC000027102466 ID Annotated Anodyne CC(C)N1C(=O)c2ccccc2[C@H](NC(=O)[C@H](C)NC(=O)Cc2ccsc2)C(=O)N1C ZINC000027105021 ID Annotated Anodyne CC(C)N1C(=O)c2ccccc2[C@@H](NC(=O)[C@H](C)NC(=O)Cc2ccsc2)C(=O)N1C ZINC000027105024 ID Annotated Anodyne CC(C)N1C(=O)c2ccccc2[C@H](NC(=O)[C@H](C)NC(=O)Cc2cccnc2)C(=O)N1C ZINC000027105675 ID Annotated Anodyne CC(C)N1C(=O)c2ccccc2[C@@H](NC(=O)[C@H](C)NC(=O)Cc2cccnc2)C(=O)N1C ZINC000027105679 ID Annotated Anodyne C=CCn1c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@H]3OC(C)(C)O[C@H]32)c2nc(N)[nH]c(=O)c21 ZINC000027106102 ID Annotated Mild C=CCn1c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H]3OC(C)(C)O[C@H]32)c2nc(N)[nH]c(=O)c21 ZINC000027106105 ID Annotated Mild C=CCn1c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@H]3OC(C)(C)O[C@@H]23)c2nc(N)[nH]c(=O)c21 ZINC000027106108 ID Annotated Mild C=CCn1c(=S)n([C@H]2O[C@H](COC(C)=O)[C@H]3OC(C)(C)O[C@@H]23)c2nc(N)[nH]c(=O)c21 ZINC000027106110 ID Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ncccc4C#N)CC3)c(F)c2)C(=O)O1 ZINC000027193745 ID Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cc(C#N)ccn4)CC3)c(F)c2)C(=O)O1 ZINC000027200401 ID Annotated Mild COC(=O)CCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1 ZINC000027202251 ID Annotated Mild COCC1(COC)Oc2ccc(Br)cc2[C@@H](Nc2ccc(=O)n(C)n2)[C@@H]1O ZINC000027212400 ID Annotated Anodyne COCC1(COC)Oc2ccc([N+](=O)[O-])cc2[C@@H](N/C(=N/C#N)c2cccnc2)[C@@H]1O ZINC000027215717 ID Annotated Mild CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3csc(CN4CCCC4)n3)[C@H]12 ZINC000027304886 ID Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3csc(CN4CCCC4)n3)[C@H]12 ZINC000027304890 ID Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3csc(CN4CCCC4)n3)[C@@H]12 ZINC000027304896 ID Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3csc(CN4CCCC4)n3)[C@@H]12 ZINC000027304902 ID Annotated Anodyne C[C@@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@H](O)/C=C/C=C/C=C/CO)OP(=O)(O)O ZINC000027308260 ID Annotated Anodyne in-man C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@H](O)/C=C/C=C/C=C/CO)OP(=O)(O)O ZINC000027308265 ID Annotated Anodyne in-man O=C1O[C@@H](CNC(=S)N2CCOCC2)CN1c1cc(F)c2c(c1)OC[C@@H]1CCCN21 ZINC000027310412 ID Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CC=C(c4oncc4C(N)=O)CC3)c(F)c2)C(=O)O1 ZINC000027331077 ID Annotated Anodyne COC(=S)NNC[C@H]1CN(c2ccc(OCCN3CCSCC3)c(F)c2)C(=O)O1 ZINC000027411740 ID Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CS(C)(=O)=O)s3)c(F)c2)C(=O)O1 ZINC000027413233 ID Annotated Anodyne O=C(CO)N1CC=C(c2ccc(N3C[C@H](COc4cnsn4)OC3=O)cc2F)CC1 ZINC000027417984 ID Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O[C@@H](C[C@@H](O)CO)C(=O)O)cc2O)cc1O ZINC000027424741 ID Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O[C@H](C[C@@H](O)CO)C(=O)O)cc2O)cc1O ZINC000027424746 ID Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O[C@@H](C[C@H](O)CO)C(=O)O)cc2O)cc1O ZINC000027424750 ID Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O[C@H](C[C@H](O)CO)C(=O)O)cc2O)cc1O ZINC000027424755 ID Annotated Anodyne C(=NNC1=NCCN1)c1ccc(/C=C/c2cn3cc(C=NNC4=NCCN4)ccc3n2)cc1 ZINC000027431251 ID Annotated Anodyne C(=C/c1cn2cc(/C=N/N=C3NCCN3)ccc2n1)\c1ccc(/C=N/N=C2NCCN2)cc1 ZINC000027431264 ID Annotated Mild C(=N/N=C1NCCCN1)\c1ccc(-c2cn3cc(/C=N/N=C4NCCCN4)ccc3n2)cc1 ZINC000027435616 ID Annotated Mild COc1cc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CNC=O)cc(OC)c1OC ZINC000027437237 ID Annotated Anodyne COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CNC=O)cc(OC)c1OC ZINC000027437242 ID Annotated Anodyne COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)Nc1ncnc2c1C(=O)C(OC)=CC2=O ZINC000027520856 ID Annotated Mild COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)Nc1ncnc2c1C(=O)C(OC)=CC2=O ZINC000027520858 ID Annotated Mild COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1ncnc2c1C(=O)C(OC)=CC2=O ZINC000027520860 ID Annotated Mild COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1ncnc2c1C(=O)C(OC)=CC2=O ZINC000027520862 ID Annotated Mild COC(=O)c1cnc(/C=C(\C)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)o1 ZINC000027520957 ID Annotated Anodyne C/C(=C\c1ncc(/C=C/C(=O)O)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027521921 ID Annotated Anodyne CC[S@@](=O)c1cnc(/C=C(\C)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)o1 ZINC000027522802 ID Annotated Anodyne CC[S@](=O)c1cnc(/C=C(\C)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)o1 ZINC000027522805 ID Annotated Anodyne O=C(O)C[C@H](NC(=O)CN1CCc2ccc(N3CCOCC3)cc2C1=O)c1cccnc1 ZINC000027522899 ID Annotated Anodyne CCN(CC)C(=O)Cn1cnc2sc(C(=O)NCCCN3CCOCC3)c(C)c2c1=O ZINC000027534471 ID Annotated Anodyne Clc1cccc2c1[C@H](/C=N/N=C1NCCN1)c1ccccc1[C@@H]2/C=N/NC1=NCCN1 ZINC000027560752 ID Annotated Mild Clc1cccc2c1[C@H](/C=N/N=C1NCCN1)c1ccccc1[C@H]2/C=N/NC1=NCCN1 ZINC000027560754 ID Annotated Mild Clc1cccc2c1[C@@H](/C=N/N=C1NCCN1)c1ccccc1[C@@H]2/C=N/NC1=NCCN1 ZINC000027560756 ID Annotated Mild Clc1cccc2c1[C@@H](/C=N/N=C1NCCN1)c1ccccc1[C@H]2/C=N/NC1=NCCN1 ZINC000027560758 ID Annotated Mild Clc1ccc2c(c1)[C@H](/C=N/N=C1NCCN1)c1ccccc1[C@@H]2/C=N/NC1=NCCN1 ZINC000027560809 ID Annotated Mild Clc1ccc2c(c1)[C@H](/C=N/N=C1NCCN1)c1ccccc1[C@H]2/C=N/NC1=NCCN1 ZINC000027560811 ID Annotated Mild Clc1ccc2c(c1)[C@@H](/C=N/N=C1NCCN1)c1ccccc1[C@@H]2/C=N/NC1=NCCN1 ZINC000027560813 ID Annotated Mild Clc1ccc2c(c1)[C@@H](/C=N/N=C1NCCN1)c1ccccc1[C@H]2/C=N/NC1=NCCN1 ZINC000027560815 ID Annotated Mild Cc1cc2c(cc1C)[C@H](/C=N/N=C1NCCN1)c1ccccc1[C@@H]2/C=N/N=C1NCCN1 ZINC000027563426 ID Annotated Mild Cc1cc2c(cc1C)[C@H](/C=N/NC1=NCCN1)c1ccccc1[C@H]2/C=N/NC1=NCCN1 ZINC000027563429 ID Annotated Mild Cc1cc2c(cc1C)[C@@H](/C=N/NC1=NCCN1)c1ccccc1[C@@H]2/C=N/NC1=NCCN1 ZINC000027563431 ID Annotated Mild CN(CC(=O)O)[C@@H]1C[C@@H](C(=O)Oc2ccccc2C(=O)O)N(C(=O)c2ccccc2)C1 ZINC000027632400 ID Annotated Anodyne CN(CC(=O)O)[C@@H]1C[C@H](C(=O)Oc2ccccc2C(=O)O)N(C(=O)c2ccccc2)C1 ZINC000027632406 ID Annotated Anodyne CCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027634317 ID Annotated Anodyne CCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000027634322 ID Annotated Anodyne in-man CN(C)CCn1nc2c3c(c(NCCNS(C)(=O)=O)ccc31)C(=O)c1ccncc1-2 ZINC000027634999 ID Annotated Clean Cn1c(CBr)nc2cc3c(=O)n(C)c(CBr)nc3cc2c1=O ZINC000027635215 ID Annotated Reactive C=C(C)C(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000027650698 ID Annotated Mild C=C(C)C(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000027650703 ID Annotated Mild CC1=C[C@H]2O[C@@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000027652553 ID Annotated Reactive CC(=O)OC[C@]12C[C@H](Br)C(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027652961 ID Annotated Reactive CC(=O)OC[C@]12C[C@H](Br)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027652965 ID Annotated Reactive CCCCOC(=O)N[C@@H](CNC(=O)C[C@@H]1C[C@H](c2ccc(C(=N)N)cc2)N(C)O1)C(=O)O ZINC000027654711 ID Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](OC(=O)CCl)[C@]2(C)[C@@]3(CO)CCC(C)=C[C@H]3O[C@H]1[C@]21CO1 ZINC000027655361 ID Annotated Reactive C=C(C)C(=O)O[C@@H]1[C@@H](OC(=O)CCl)[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)CC[C@@]12CO ZINC000027655363 ID Annotated Reactive CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000027656167 ID Annotated Reactive CC1=C[C@@H]2O[C@@H]3C(=O)[C@@H](OC(=O)CCl)[C@](C)([C@@]2(COC(=O)CCl)CC1)[C@@]31CO1 ZINC000027656728 ID Annotated Reactive CC1=C[C@H]2O[C@@H]3C(=O)[C@@H](OC(=O)CCl)[C@@](C)([C@@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000027656730 ID Annotated Reactive CSSc1cccc2cccc(COC(=O)[C@@H]3C[C@@H](O)[C@@H](O)[C@@H]([C@@H](O)CN)O3)c12 ZINC000027703649 ID Annotated Reactive CSSc1cccc2cccc(COC(=O)[C@H]3C[C@@H](O)[C@@H](O)[C@@H]([C@@H](O)CN)O3)c12 ZINC000027703654 ID Annotated Reactive C[C@H]1C(CN(c2cccc3ccccc23)S(C)(=O)=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000027733300 ID Annotated Anodyne C[C@H]1C(CN2Cc3c(ccc4ccccc34)S2(=O)=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000027734088 ID Annotated Anodyne C[C@H]1C(CN(c2ccc3ccccc3c2)S(C)(=O)=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000027736997 ID Annotated Anodyne O=c1ccn(CO[C@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(=O)[nH]1 ZINC000027737142 ID Annotated Bother O=c1ccn(CO[C@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]1 ZINC000027737149 ID Annotated Bother O=c1ccn(CO[C@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(=O)[nH]1 ZINC000027737157 ID Annotated Bother O=c1ccn(CO[C@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]1 ZINC000027737163 ID Annotated Bother Cc1cn(CO[C@@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]c1=O ZINC000027737169 ID Annotated Bother Cc1cn(CO[C@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]c1=O ZINC000027737175 ID Annotated Bother Cc1cn(CO[C@@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]c1=O ZINC000027737182 ID Annotated Bother Cc1cn(CO[C@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2CF)c(=O)[nH]c1=O ZINC000027737190 ID Annotated Bother C[C@H]1C(CN2c3cccc4cccc(c34)S2(=O)=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000027743551 ID Annotated Anodyne CN(C)CCCn1nc2c3c1ccc1c(=O)n(CCN(C)C)c(=O)n(c13)-c1ccccc1-2 ZINC000027748154 ID Annotated Anodyne CN(C)CCCn1c(=O)c2ccc3c4c(nn3CCN(C)C)-c3ccccc3-n(c1=O)c24 ZINC000027758011 ID Annotated Anodyne CNc1nc2ccccc2n1CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000027765682 ID Annotated Anodyne CN(CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1nc2ccccc2n1C ZINC000027766426 ID Annotated Anodyne COc1cccc2c1ccc1nc3cccc(C(=O)NCCN(CCO)CCO)c3nc12 ZINC000027770067 ID Annotated Clean CN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ncc2ccccc2n1 ZINC000027843365 ID Annotated Anodyne CN(CCNc1nc2ccccc2n1C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000027846035 ID Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C)C(=C3SCC(O)CS3)S(=O)(=O)[C@H]12 ZINC000027903312 ID Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C)C(=C3SCC(O)CS3)S(=O)(=O)[C@@H]12 ZINC000027903318 ID Annotated Anodyne COCCNCCNc1ccc(NCCNCCOC)c2c1C(=O)c1ccncc1C2=O ZINC000027903522 ID Annotated Clean O=C(O)c1nn(-c2ccc(I)c(C(F)(F)F)c2)c(=O)[nH]c1=O ZINC000027979673 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCSc2nnnn2C)CC1 ZINC000027981275 ID Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2ccc(=O)n(CC)c2=O)CC1 ZINC000027983022 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000027984197 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000027984203 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000027987937 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000027987940 ID Annotated Anodyne CNC(=O)OCc1c2c(n3c1[C@@H](OC(C)=O)CC3)C(=O)C(Br)=C(N)C2=O ZINC000027999744 ID Annotated Mild CNC(=O)OCc1c2c(n3c1[C@H](OC(C)=O)CC3)C(=O)C(Br)=C(N)C2=O ZINC000027999750 ID Annotated Mild CNC(=O)OCc1c2c(n3c1[C@@H](OC(C)=O)CC3)C(=O)C(Br)=C(OC)C2=O ZINC000028020110 ID Annotated Mild CNC(=O)OCc1c2c(n3c1[C@H](OC(C)=O)CC3)C(=O)C(Br)=C(OC)C2=O ZINC000028020115 ID Annotated Mild CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCn2nnn(CC)c2=O)CC1 ZINC000028096063 ID Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](N3CCOCC3)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000028100598 ID Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](N3CCOCC3)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000028100604 ID Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccnc1)N(C)[C@@H]2c1cccnc1 ZINC000028102625 ID Annotated Anodyne CC(C)CN(CC(=O)NN(Cc1ccccc1)c1cnccn1)NC(=O)CBr ZINC000028126595 ID Annotated Reactive CC(C)C[C@H](N)C(=O)N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)[C@H]1C ZINC000028224654 ID Annotated Anodyne CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2ccc(NO)cc2)n(CCCC)c1=O ZINC000028232403 ID Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C(F)(F)F)CC[C@H]12)c1ccc(O)c(Cl)c1 ZINC000028256019 ID Annotated Anodyne CO/N=C1\CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@]1(C)CN ZINC000028262438 ID Annotated Mild CO/N=C1\CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@]1(C)CN ZINC000028262444 ID Annotated Mild CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cnn(C)c1 ZINC000028355500 ID Annotated Mild CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cnn(C)c1 ZINC000028355505 ID Annotated Mild CCCCS(=O)(=O)N[C@@H](CNC(=O)CCCCc1ccc2c(n1)NCCC2)C(=O)O ZINC000028382602 ID Annotated Anodyne COC(=O)COC(=O)c1cn2c3c(c(N4CCC(O)CC4)c(F)cc3c1=O)CC[C@@H]2C ZINC000028466917 ID Annotated Anodyne C=C(NC(=O)c1csc(-c2cccnc2)n1)C(=O)N[C@@H](COC(C)(C)C)C(=O)OC ZINC000028520731 ID Annotated Anodyne C=C(NC(=O)c1csc(-c2ccncc2)n1)C(=O)N[C@@H](COC(C)(C)C)C(=O)OC ZINC000028522184 ID Annotated Anodyne O=C1O[C@@H](CNC(=S)NCCO)CN1c1ccc(-n2nnc3ccccc32)c(F)c1 ZINC000028523115 ID Annotated Anodyne O=C1O[C@@H](CNC(=S)NCCCO)CN1c1ccc(-n2nnc3ccccc32)c(F)c1 ZINC000028524151 ID Annotated Anodyne COC(=O)c1ccc2c(c1)nnn2-c1ccc(N2C[C@H](CNC(N)=S)OC2=O)cc1F ZINC000028524366 ID Annotated Anodyne O=C1O[C@@H](CNC(=S)OCCO)CN1c1ccc(-n2nnc3ccccc32)c(F)c1 ZINC000028524622 ID Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(CO)o4)CC3)c(F)c2)C(=O)O1 ZINC000028527091 ID Annotated Anodyne C[C@H]1CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)C[C@@H](C)O1 ZINC000028566305 ID Annotated Mild CC(=O)/C=C/C(=O)N1CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1 ZINC000028571326 ID Annotated Mild CN1CCN(c2ccnc(-n3ccnc3)n2)[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000028604301 ID Annotated Anodyne C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@](C2)(C[C@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]23C)[C@@H]1O ZINC000028638854 ID Annotated Mild in-vitro biogenic CCN(CC)c1nc(C)c2nc(SCC(=O)NCCCN)n(CCCN(C)C)c2n1 ZINC000028639775 ID Annotated Anodyne CCN(CC)CCn1c(SCC(=O)NCCN)nc2c(C)nc(N(CC)CC)nc21 ZINC000028639783 ID Annotated Anodyne C[C@H]1C(c2cn3cnc(C(=O)[C@@H]4CCCCN4)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000028640353 ID Annotated Anodyne C[C@H]1C(c2cn3cnc(C(=O)[C@H]4CCCCN4)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000028640356 ID Annotated Anodyne C[C@H]1C(c2cn3cnc(C(=O)C4CCNCC4)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000028640862 ID Annotated Anodyne C[C@H]1C(c2cn3cnc(C(=O)c4cncs4)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000028641243 ID Annotated Anodyne C[C@H]1C(c2cn3cnc(C(=O)c4ccncc4)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000028641416 ID Annotated Anodyne Cc1ccc2c(c1)S(=O)c1cc(C)ccc1OCC(=O)NCCNCCNC(=O)CO2 ZINC000028647243 ID Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2O[C@@H](CO)C[C@]2(O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000028648849 ID Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(I)ccc21 ZINC000028649511 ID Annotated Anodyne O=C1/C(=N\NC(=S)NCc2ccccc2)c2cc(F)ccc2N1CN1CCOCC1 ZINC000028651498 ID Annotated Mild O=C1/C(=N\NC(=S)NC2CCCCC2)c2cc([N+](=O)[O-])ccc2N1CN1CCOCC1 ZINC000028651545 ID Annotated Mild O=C1/C(=N\NC(=S)Nc2ccccc2)c2cc([N+](=O)[O-])ccc2N1CN1CCOCC1 ZINC000028651553 ID Annotated Mild CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1CCCN ZINC000028652944 ID Annotated Anodyne CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1[C@H]1CCNC1 ZINC000028652987 ID Annotated Anodyne O=C(c1ccco1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028653170 ID Annotated Anodyne NCCNNS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)cc1 ZINC000028703886 ID Annotated Anodyne N[C@@H](CCC(=O)O)C(=O)Oc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 ZINC000028712741 ID Annotated Clean C=CCNC(=O)[C@H](Cn1cnc2c(Cl)nc(N)nc21)NC(=O)N[C@H](C)c1ccccc1 ZINC000028713619 ID Annotated Mild C=CCNC(=O)[C@H](Cn1cnc2c(Cl)nc(N)nc21)NS(=O)(=O)c1ccc(C)cc1 ZINC000028713623 ID Annotated Mild Cc1nc(C)c(CN2CCN(N3CCN(Cc4nc(C)c(C)nc4C)CC3)CC2)nc1C ZINC000028713642 ID Annotated Anodyne CCN1C(=O)c2c(nc(C(N)=O)n2Cc2ccc(O)c(Cl)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028755405 ID Annotated Anodyne CN(C)CCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028756561 ID Annotated Clean COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000028757547 ID Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000028757549 ID Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000028757550 ID Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000028757552 ID Annotated Bother NCCCNc1ccc2c3c(nn2CCCNCCO)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028757741 ID Annotated Clean CN(C)CCN(C)c1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028757796 ID Annotated Anodyne NCCCCCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028757818 ID Annotated Clean CN(C)CCNCCNc1ccc2c3c(nn2CCCN)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028758002 ID Annotated Clean CN(C)CCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758778 ID Annotated Clean CN(C)CCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758781 ID Annotated Clean CCN(CC)C[C@@H](O)Cn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758894 ID Annotated Clean CCN(CC)C[C@H](O)Cn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758897 ID Annotated Clean NCCCCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028759707 ID Annotated Clean CNP1(NC)=NP(NC)(NC)=N[P@@](NC)(N2CC2)=N[P@](NC)(N2CC2)=N1 ZINC000028762645 ID Annotated Anodyne CNP1(NC)=NP(NC)(NC)=NP(NC)(N2CC2)=NP(NC)(NC)=N1 ZINC000028762647 ID Annotated Anodyne CNP1(NC)=NP(NC)(NC)=NP(N2CC2)(N2CC2)=NP(NC)(NC)=N1 ZINC000028763597 ID Annotated Anodyne NS(=O)(=O)OC[C@@]12OC[C@H]3O[C@@H](c4ccccc4)O[C@H]3[C@@H]1O[C@H](c1ccccc1)O2 ZINC000028764484 ID Annotated Anodyne CN1c2ccccc2N(C(=O)CN2CCN(CCO)CC2)c2ccccc2S1(=O)=O ZINC000028765317 ID Annotated Anodyne CCO[C@H]1C[C@H](n2cc(C(F)(F)F)c(=O)n(C(=O)c3ccccc3)c2=O)O[C@@H]1CO ZINC000028770571 ID Annotated Anodyne O=C(O)CCNc1nc(Cc2nnc(S)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000028815446 ID Annotated Bother CO/N=C(/C(=O)OC)c1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)nn2)c1 ZINC000028822385 ID Annotated Mild CCN(CC)C1=CC(=O)[C@]2([C@@H](Cl)C[C@@]34C(OC)=C(OC)C(=O)C[C@]32CCN4C)[C@H]1O ZINC000028824871 ID Annotated Reactive O=C1c2c(O)c(O)c(I)c(=O)n2CCN1Cc1ccc(F)cc1 ZINC000028825277 ID Annotated Anodyne O=C(O)c1cn2c(n1)CN(c1nc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn3C1CC1)CC2 ZINC000028868370 ID Annotated Bother CC(C)CN1C(N/N=C/c2cc(Br)ccc2O)=N[C@@H]2[C@@H]1C(=O)N=C(O)N2C ZINC000028875355 ID Annotated Mild CC(C)CN1C(N/N=C/c2cc(Br)ccc2O)=N[C@@H]2[C@H]1C(=O)N=C(O)N2C ZINC000028875361 ID Annotated Mild CC(C)CN1C(N/N=C/c2cc(Br)ccc2O)=N[C@H]2[C@@H]1C(=O)N=C(O)N2C ZINC000028875364 ID Annotated Mild CC(C)CN1C(N/N=C/c2cc(Br)ccc2O)=N[C@H]2[C@H]1C(=O)N=C(O)N2C ZINC000028875368 ID Annotated Mild Cc1cccc(N2CCCN(C(=O)c3cn4ccnc(N5CCN(C)CC5)c4n3)CC2)n1 ZINC000028882284 ID Annotated Anodyne N[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(-c4ccc(F)cc4F)c3c2Cl)C1 ZINC000028884370 ID Annotated Anodyne N[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(-c4ccc(F)cc4F)c3c2Cl)C1 ZINC000028884373 ID Annotated Anodyne COc1ccc(F)cc1C[C@@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894357 ID Annotated Anodyne COc1ccc(F)cc1C[C@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894361 ID Annotated Anodyne O=S(=O)(c1cccc2nonc12)N1CCOc2c(N3CCNCC3)cc(Cl)cc21 ZINC000028948466 ID Annotated Clean C#CCn1cc(C(=O)NCCCOC(=O)CNC(=O)OC(C)(C)C)c(=O)c2cccnc21 ZINC000028962270 ID Annotated Mild CC(C)S(=O)(=O)n1c(N)nc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000028963420 ID Annotated Bother Cc1c(O)c(C)c2c3c1O[C@H](c1ccc(O)cc1)C[C@@H]3O[C@H]1[C@H](O2)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000028969899 ID Annotated Anodyne Cc1c(O)c(C)c2c3c1O[C@H](c1ccc(O)cc1)C[C@H]3O[C@H]1[C@H](O2)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000028969904 ID Annotated Anodyne COC(=O)N1c2ccccc2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@H]5O)[C@H]43 ZINC000028970049 ID Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@@]1(O)C(C)(C)CCC(=O)[C@]21C ZINC000028970175 ID Annotated Anodyne COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccccn2)N(CCCO)[C@@H]1c1ccccn1 ZINC000028970697 ID Annotated Anodyne COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2ccccn2)N(CCCO)[C@H]1c1ccccn1 ZINC000028970701 ID Annotated Anodyne COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccccn2)N(CCCO)[C@@H]1c1ccccn1 ZINC000028970705 ID Annotated Anodyne COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H](c2ccccn2)N(CCCO)[C@@H]1c1ccccn1 ZINC000028970712 ID Annotated Anodyne N=C(NCCCO)c1ccc(N2CCN(c3ccc(C(=N)NCCCO)cc3)CC2)cc1 ZINC000028972434 ID Annotated Anodyne C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4[C@](C)(C(=O)C=C5C(=CC(=O)OC5(C)C)[C@@]45CO5)[C@H](C1=O)[C@H]23 ZINC000028973471 ID Annotated Mild Cc1ccc(Oc2ccc(N(C[C@H](C(=O)NO)N3CCOCC3)S(C)(=O)=O)cc2)cc1 ZINC000029039946 ID Annotated Bother Cc1ccc(Oc2ccc(N(C[C@@H](C(=O)NO)N3CCOCC3)S(C)(=O)=O)cc2)cc1 ZINC000029039950 ID Annotated Bother CC1(C)O[C@@H](CO)[C@H]([C@H](O)[C@@H](CNC(=O)c2ccccc2)c2ccc3c(c2)OCO3)O1 ZINC000029042197 ID Annotated Anodyne Cc1ccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCONC(=N)N)c2F)nc1 ZINC000029042446 ID Annotated Mild Cc1cccnc1C(F)(F)CNc1ccc(C#N)c(CC(=O)NCCONC(=N)N)c1F ZINC000029042450 ID Annotated Mild Cc1ccnc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCONC(=N)N)c2F)c1 ZINC000029042452 ID Annotated Mild N#Cc1ccc(NCC(F)(F)c2ccccc2)c(F)c1CC(=O)NCCONC(=N)N ZINC000029042538 ID Annotated Mild CN(OCCNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F)C(=N)N ZINC000029043461 ID Annotated Mild N#Cc1ccc(NCc2cccc3cccnc23)c(F)c1CC(=O)NCCONC(=N)N ZINC000029043695 ID Annotated Mild Cc1cccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCONC(=N)N)c2F)n1 ZINC000029043699 ID Annotated Mild CC#CCn1c(N2CCC[C@@H](N)C2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 ZINC000029045955 ID Annotated Mild CO[C@H]1CN(c2ccc(C#C[C@@]3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)C[C@H]1O ZINC000029055810 ID Annotated Mild O=C(O)CCNC(=O)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 ZINC000029061235 ID Annotated Anodyne CC(=O)O[C@@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)NCCC(=O)NCc3ccccc3)[C@H]12 ZINC000029061849 ID Annotated Mild CN(C(=O)NC1CCN(c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126165 ID Annotated Anodyne CN(C(=O)NC1CCN(c2ccc(F)c(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126497 ID Annotated Anodyne CC(=O)c1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC000029126575 ID Annotated Anodyne C[C@@]12C[C@@H](O)[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12 ZINC000029127492 ID Annotated Mild C[C@]12C[C@@H](O)[C@](C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12 ZINC000029127493 ID Annotated Mild C[C@@]12C[C@H](O)[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12 ZINC000029127497 ID Annotated Mild O=c1cc[nH]c(=O)n1[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2CO1 ZINC000029128374 ID Annotated Bother O=c1cc[nH]c(=O)n1[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2CO1 ZINC000029128375 ID Annotated Bother O=c1cc[nH]c(=O)n1[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2CO1 ZINC000029128377 ID Annotated Bother O=c1cc[nH]c(=O)n1[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2CO1 ZINC000029128378 ID Annotated Bother Nc1ccccc1S(=O)(=O)N1C[C@@H](n2c(=O)[nH]cc(F)c2=O)OCc2ccccc21 ZINC000029128414 ID Annotated Anodyne Nc1ccccc1S(=O)(=O)N1C[C@H](n2c(=O)[nH]cc(F)c2=O)OCc2ccccc21 ZINC000029128415 ID Annotated Anodyne O=c1ccn([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3CO2)c(=O)[nH]1 ZINC000029128505 ID Annotated Bother O=c1ccn([C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3CO2)c(=O)[nH]1 ZINC000029128506 ID Annotated Bother O=c1ccn([C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccccc3CO2)c(=O)[nH]1 ZINC000029128507 ID Annotated Bother O=c1ccn([C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccccc3CO2)c(=O)[nH]1 ZINC000029128508 ID Annotated Bother Nc1ccccc1S(=O)(=O)N1C[C@@H](n2cc(F)c(=O)[nH]c2=O)OCc2ccccc21 ZINC000029128509 ID Annotated Anodyne Nc1ccccc1S(=O)(=O)N1C[C@H](n2cc(F)c(=O)[nH]c2=O)OCc2ccccc21 ZINC000029128510 ID Annotated Anodyne Nc1ccc(S(=O)(=O)N2C[C@@H](n3cc(F)c(=O)[nH]c3=O)OCc3ccccc32)cc1 ZINC000029128612 ID Annotated Anodyne Nc1ccc(S(=O)(=O)N2C[C@H](n3cc(F)c(=O)[nH]c3=O)OCc3ccccc32)cc1 ZINC000029128613 ID Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)Nc4ccon4)CC3)c(F)c2)C(=O)O1 ZINC000029128614 ID Annotated Anodyne COC(=O)c1nnn([C@H]2C[C@H]3C=Nc4cc(OC)c(OC)cc4C(=O)N3C2)c1C(=O)OC ZINC000029128941 ID Annotated Anodyne CC(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1C(=O)OCOC(=O)c1ccccc1OC(C)=O ZINC000029133620 ID Annotated Clean COC(=O)Nc1nc2cc([S@@](=O)c3ccccc3)ccc2n1COP(=O)(O)O ZINC000029134848 ID Annotated Anodyne COC(=O)Nc1nc2cc([S@](=O)c3ccccc3)ccc2n1COP(=O)(O)O ZINC000029134851 ID Annotated Anodyne O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000029239386 ID Annotated Mild COc1ccc(S(=O)(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)cc1 ZINC000029242142 ID Annotated Mild CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(N4C[C@@H]4c4ccccn4)c3c2F)CC1 ZINC000029253321 ID Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(N4C[C@H]4c4ccccn4)c3c2F)CC1 ZINC000029253328 ID Annotated Anodyne COc1cc2c(cc1OC)[C@@](O)(c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)OC[C@H]1C2=O ZINC000029319293 ID Annotated Anodyne Cc1c(O)cc(O)c2c1C(=O)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCSC2 ZINC000029323822 ID Annotated Anodyne COc1cc2c(cc1OC)[C@@](O)(c1cc(OC)c(O)c(OC)c1)[C@H]1C(=O)OC[C@H]1C2=O ZINC000029324632 ID Annotated Anodyne CCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)c(Br)c2C)cc1 ZINC000029408858 ID Annotated Anodyne CCOC(=O)CN1c2nc(-c3ccccc3)c(Br)nc2C(N)=NS1(=O)=O ZINC000029414148 ID Annotated Anodyne CCCS(=O)(=O)N(CCNS(=O)(=O)CC)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000029475981 ID Annotated Anodyne CNC(=O)[C@@H]1CCCNN1C(=O)[C@H](CCOc1ccc(C(C)C)cc1)N[C@H](C)C(=O)O ZINC000029479479 ID Annotated Anodyne NC(N)=Nc1nc(CSCC/C(N)=N/S(=O)(=O)NCc2ccccc2)cs1 ZINC000029480938 ID Annotated Mild CCCS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O ZINC000029481279 ID Annotated Anodyne CC(C)(CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O)NS(C)(=O)=O ZINC000029481663 ID Annotated Anodyne CS(=O)(=O)NCCCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O ZINC000029482472 ID Annotated Anodyne CS(=O)(=O)N(CCNS(=O)(=O)CCl)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000029484368 ID Annotated Reactive CCCC(=O)OC[C@@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)[C@@H](C)CC ZINC000029484722 ID Annotated Anodyne CCCC(=O)OC[C@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)[C@@H](C)CC ZINC000029484725 ID Annotated Anodyne CCCC(=O)OC[C@@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)[C@H](C)CC ZINC000029484728 ID Annotated Anodyne CCCC(=O)OC[C@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)[C@H](C)CC ZINC000029484731 ID Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)CC(=O)c2ccc(N(C)C)cc2)[C@H](O)[C@@H]1O ZINC000029486151 ID Annotated Anodyne CN(CCO)CCNc1ccc(NCCN(C)CCO)c2c1C(=O)c1ccccc1C2=O ZINC000029486172 ID Annotated Clean CCS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC ZINC000029486710 ID Annotated Anodyne CCCS(=O)(=O)N(CCNS(C)(=O)=O)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000029487098 ID Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)CC(=O)c2ccc(C#N)cc2)[C@H](O)[C@@H]1O ZINC000029544597 ID Annotated Mild CN(C)CCNc1ccc(NCCN(C)CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000029547183 ID Annotated Clean C[C@H](C(=O)OCCCCCn1cnc2c(N(C)C)ncnc21)[C@H](C)CCCN=C(N)N ZINC000029558107 ID Annotated Mild C[C@H](CCCN=C(N)N)[C@@H](C)C(=O)OCCCCCn1cnc2c(N(C)C)ncnc21 ZINC000029558112 ID Annotated Mild CCCO[P@](=O)(N[C@H](C)C(=O)OC)OC[C@H]1C=C[C@@H](n2cc(C)c(O)nc2=O)O1 ZINC000299804417 ID Annotated Anodyne Cc1cn([C@@H]2C[C@@H]3O[P@](=O)(N(CCCl)CCCl)NC[C@@H]3O2)c(O)nc1=O ZINC000299804421 ID Annotated Reactive Cc1cn([C@@H]2C[C@@H]3O[P@@](=O)(N(CCCl)CCCl)NC[C@H]3O2)c(O)nc1=O ZINC000299804422 ID Annotated Reactive Cc1cn([C@@H]2C[C@@H]3O[P@](=O)(N(CCCl)CCCl)NC[C@H]3O2)c(O)nc1=O ZINC000299804423 ID Annotated Reactive Cc1cn([C@@H]2C[C@@H]3O[P@@](=O)(N(CCCl)CCCl)N(C)C[C@H]3O2)c(=O)nc1O ZINC000299804427 ID Annotated Reactive Cc1cn([C@@H]2C[C@@H]3O[P@](=O)(N(CCCl)CCCl)N(C)C[C@@H]3O2)c(=O)nc1O ZINC000299804428 ID Annotated Reactive Cc1cn([C@@H]2C[C@@H]3O[P@](=O)(N(CCCl)CCCl)N(C)C[C@H]3O2)c(=O)nc1O ZINC000299804429 ID Annotated Reactive C[C@@H]1O[C@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@H](F)[C@H](O)[C@@H]1O ZINC000299804738 ID Annotated Clean C[C@@H]1O[C@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@H](F)[C@H](O)[C@H]1O ZINC000299804739 ID Annotated Clean C[C@@H]1O[C@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@H](F)[C@@H](O)[C@H]1O ZINC000299804740 ID Annotated Clean C[C@@H]1O[C@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@H](F)[C@@H](O)[C@@H]1O ZINC000299804741 ID Annotated Clean CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N@@+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@H]1O ZINC000299808540 ID Annotated Mild CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N@+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@@H]1O ZINC000299808541 ID Annotated Mild CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N@+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@H]1O ZINC000299808542 ID Annotated Mild CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N@@+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@@H]1O ZINC000299808543 ID Annotated Mild CN(C)CCn1c(=O)c(=Cc2ccc(F)cc2F)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000299809124 ID Annotated Anodyne CN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000299809128 ID Annotated Anodyne CN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000299809140 ID Annotated Anodyne CN(C)CCn1c(=O)c(=Cc2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21 ZINC000299809243 ID Annotated Anodyne CN(C)CCn1c(=O)c(=Cc2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21 ZINC000299809388 ID Annotated Anodyne CN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000299809413 ID Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCC#CCn1cnc2c1NC=N[C@H]2N)Oc1ccccc1 ZINC000299809604 ID Annotated Mild COC(=O)[C@H](C)N[P@](=O)(OCC#CCn1cnc2c1NC=N[C@H]2N)Oc1ccccc1 ZINC000299809605 ID Annotated Mild C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@@]12CO2 ZINC000299809968 ID Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@]12CO2 ZINC000299809969 ID Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@@]12CO2 ZINC000299809970 ID Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@]12CO2 ZINC000299809971 ID Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(N=C4C=CC(=N)C=C4)c(C)c(O)c3N1C[C@@H]1N[C@H]12 ZINC000299810091 ID Annotated Mild COC(=O)[C@]1(CCC(=O)N(C)c2ccccc2)NN[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000299814150 ID Annotated Anodyne O=c1oc2cc3ncnc(N[C@@H]4CC[C@@H](O)CC4)c3cc2n1CCCN1CCOCC1 ZINC000299814766 ID Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2c(N)c(C#N)c(C)c(C#N)c2=S)[C@@H]1OC(C)=O ZINC000299814849 ID Annotated Mild O=C1Nc2ccccc2C1=c1nc(O)c(=Cc2ccc(OCc3ccccc3)cn2)nc1O ZINC000299815701 ID Annotated Anodyne CO[C@@H]1CC(=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@]23C(C(=O)c2ccccc2)=C(C)N[C@@]13O ZINC000299816831 ID Annotated Mild CO[C@@H]1CC(=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@]23C(C(=O)c2ccccc2)=C(C)N[C@]13O ZINC000299816832 ID Annotated Mild CO[C@@H]1CC(=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@]23C(C(=O)c2ccccc2)=C(C)N[C@]13O ZINC000299816833 ID Annotated Mild CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(OC)cc2c1=O ZINC000299819051 ID Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(OC)cc2c1=O ZINC000299819056 ID Annotated Bother COc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)c(OC)c1 ZINC000299819324 ID Annotated Mild CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(F)cc(F)cc2c1=O ZINC000299819813 ID Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(F)cc(F)cc2c1=O ZINC000299819818 ID Annotated Bother O=[N+]([O-])c1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)cc1 ZINC000299820172 ID Annotated Mild COc1cc([C@@H]2SCC(=O)N2NC(=O)CNC(=O)c2ccccc2)cc(OC)c1OC ZINC000299820408 ID Annotated Anodyne COc1cc([C@H]2SCC(=O)N2NC(=O)CNC(=O)c2ccccc2)cc(OC)c1OC ZINC000299820409 ID Annotated Anodyne O=[N+]([O-])c1ccccc1/C=N/Nc1nc2c(c(N3CCOCC3)n1)CS(=O)(=O)CC2 ZINC000299820767 ID Annotated Mild COc1ccc(OC)c(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)c1 ZINC000299821754 ID Annotated Mild CSCO[C@@]1(C)CO[C@@](C)(CC(=O)NC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)C1 ZINC000299821813 ID Annotated Anodyne O=C(/C=C/c1cccc(NC(=S)Nc2ccccc2)c1)C[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000299822694 ID Annotated Mild COc1cc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)cc(OC)c1 ZINC000299822861 ID Annotated Mild O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(C(F)(F)F)ccc2c1=O ZINC000299823062 ID Annotated Bother O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(C(F)(F)F)ccc2c1=O ZINC000299823065 ID Annotated Bother C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@]1(CO1)[C@H]2C/C=C1/C(=O)OC[C@H]1OC(=O)CCl ZINC000299823319 ID Annotated Reactive C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@]1(CO1)[C@H]2C/C=C1/C(=O)OC[C@H]1OC(=O)CCl ZINC000299823324 ID Annotated Reactive O=C(Cn1nc(Cc2cccs2)n(/N=C/c2cccnc2)c1=O)N/N=C/c1cccnc1 ZINC000299824717 ID Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)N(CCO)CCO)c2ncccc2c1 ZINC000299824925 ID Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)N(CCO)CCO)c2ncccc2c1 ZINC000299824927 ID Annotated Reactive CCN(CC)C(=O)c1c(N2CCN(CCO)CC2)c2cccnc2n2c(C(C)C)nnc12 ZINC000299827785 ID Annotated Anodyne CC(C)(C)OC(=O)NCc1cn(-c2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)nn1 ZINC000299828901 ID Annotated Anodyne O=C(N[C@@H]1CON(CCCCOC(=O)c2cccc(O)c2O)C1=O)c1cccc(O)c1O ZINC000299829093 ID Annotated Clean CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(Br)C4=C(CC[C@]31C)C(=O)OC4)C2=O ZINC000299831362 ID Annotated Anodyne CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2OC)C[C@H]1N ZINC000299832231 ID Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2OC)C[C@@H]1N ZINC000299832235 ID Annotated Mild COCc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@H](C)O[C@@H](C)CN31 ZINC000299835062 ID Annotated Anodyne COCc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@@H](C)CN31 ZINC000299835065 ID Annotated Anodyne COCc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@H](C)O[C@H](C)CN31 ZINC000299835067 ID Annotated Anodyne COCc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@H](C)CN31 ZINC000299835069 ID Annotated Anodyne O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCN(CCO)CC3)sc21 ZINC000299835458 ID Annotated Clean COc1ncc(OC)c2c(C(=O)C(=O)N3C[C@@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)c[nH]c12 ZINC000299838369 ID Annotated Anodyne COc1ncc(OC)c2c(C(=O)C(=O)N3C[C@H]4CN(C(=O)c5ccccc5)C[C@@H]4C3)c[nH]c12 ZINC000299838370 ID Annotated Anodyne COc1ncc(OC)c2c(C(=O)C(=O)N3C[C@@H]4CN(C(=O)c5ccccc5)C[C@@H]4C3)c[nH]c12 ZINC000299838371 ID Annotated Anodyne C[C@@H]1CN2c3c(cc4c(C5CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@@H](C)O1 ZINC000299838402 ID Annotated Anodyne C[C@@H]1CN2c3c(cc4c(C5CC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1 ZINC000299838403 ID Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(Br)C4=C(CC[C@]31C)C(=O)OC4)[C@@H]2O ZINC000299839311 ID Annotated Anodyne CC(=O)[C@@]12O[C@@]13OC1=Cc4c(c(C)nn4-c4ccccc4)C(=O)[C@]1(C)[C@@]3(O)C(O)=C(C)C2=O ZINC000299839540 ID Annotated Mild CS(=O)(=O)c1cncc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)nc4)n3n2)c1 ZINC000299841086 ID Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@@]3(C)[C@H]([C@H](C)O)O[C@@](C)([C@H]2O)[C@H]3O)c1C ZINC000299846036 ID Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@@]3(C)[C@H]([C@H](C)O)O[C@@](C)([C@@H]2O)[C@H]3O)c1C ZINC000299846037 ID Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@@]3(C)[C@H]([C@H](C)O)O[C@@](C)([C@H]2O)[C@@H]3O)c1C ZINC000299846038 ID Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@@]3(C)[C@H]([C@H](C)O)O[C@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000299846039 ID Annotated Anodyne COc1cc2c(cc1OC)[C@]13CC[N@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@]34O ZINC000299846295 ID Annotated Bother CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@H](C)C(=O)OCCO)CN1C ZINC000299847136 ID Annotated Anodyne C=C[C@@H]1C[C@@H](O)[C@@H]2[C@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000299848286 ID Annotated Mild C=C[C@@H]1C[C@@H](O)[C@@H]2[C@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000299848288 ID Annotated Mild C=C[C@@H]1C[C@H](O)[C@@H]2[C@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000299848291 ID Annotated Mild C=C[C@@H]1C[C@H](O)[C@@H]2[C@H]3CC[C@H]4[C@H](O)[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000299848293 ID Annotated Mild C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(S(=O)(=O)N/N=C/c4ccccc4)cc3)C(=O)[C@H]12 ZINC000299849246 ID Annotated Mild Cc1ccc(S(=O)(=O)NNc2nc(N3C[C@H](O)C[C@H]3C(=O)O)nc3ccccc23)cc1 ZINC000299849978 ID Annotated Anodyne COc1ccc(C2=C[C@H]3C(C)=NC(N)=N[C@H]3N([C@@H]3CC[C@@H](OCCO)CC3)C2=O)cn1 ZINC000299849986 ID Annotated Anodyne COc1ccc(C2=C[C@H]3C(C)=NC(N)=N[C@@H]3N([C@@H]3CC[C@@H](OCCO)CC3)C2=O)cn1 ZINC000299849990 ID Annotated Anodyne COc1ccc(C2=C[C@@H]3C(C)=NC(N)=N[C@H]3N([C@@H]3CC[C@@H](OCCO)CC3)C2=O)cn1 ZINC000299849994 ID Annotated Anodyne COc1ccc(C2=C[C@@H]3C(C)=NC(N)=N[C@@H]3N([C@@H]3CC[C@@H](OCCO)CC3)C2=O)cn1 ZINC000299849999 ID Annotated Anodyne Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCN(CCc3ccccc3)CC2)c(=O)c1=O ZINC000299850603 ID Annotated Anodyne COC(=O)[C@H](Cc1ccc(-n2nnc(-c3cc(C)cc(C)c3)n2)cc1)N1C(=O)C=CC1=O ZINC000299851100 ID Annotated Anodyne COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(N(C)C)cc3)n2)cc1)N1C(=O)C=CC1=O ZINC000299852052 ID Annotated Anodyne COC(=O)[C@H](Cc1ccc(-n2nnc(-c3cc(F)cc(F)c3)n2)cc1)N1C(=O)C=CC1=O ZINC000299852110 ID Annotated Anodyne O=C(NCCO)c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 ZINC000299852571 ID Annotated Anodyne Cc1cc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1C#CC1CCC1 ZINC000299853730 ID Annotated Mild CN(CCC=C1c2ccccc2CCc2ccccc21)[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000299853833 ID Annotated Clean NS(=O)(=O)c1ccc(-c2noc([C@@H]3[C@@H]4C[C@@H]4CN3C(=O)COc3ccccc3)n2)cc1 ZINC000299856067 ID Annotated Anodyne NS(=O)(=O)c1ccc(-c2noc([C@@H]3[C@H]4C[C@H]4CN3C(=O)COc3ccccc3)n2)cc1 ZINC000299856068 ID Annotated Anodyne NS(=O)(=O)c1ccc(-c2noc([C@@H]3[C@H]4C[C@@H]4CN3C(=O)COc3ccccc3)n2)cc1 ZINC000299856069 ID Annotated Anodyne NS(=O)(=O)c1ccc(-c2noc([C@@H]3[C@@H]4C[C@H]4CN3C(=O)COc3ccccc3)n2)cc1 ZINC000299856070 ID Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(C[C@H](O)C(C)(C)O)cc2c1/C=C1\NC(=O)C(=O)NC1=O ZINC000299856266 ID Annotated Mild O=C(Cn1cc(CN(c2ncccn2)c2nc3ccccc3s2)nn1)N1CCOCC1 ZINC000299870698 ID Annotated Anodyne CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](C(=O)O)OC(=O)[C@H]5O[C@]543)[C@@]2(C)[C@@H](O)C[C@H]1O ZINC000299873055 ID Annotated Anodyne CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](C(=O)O)OC(=O)[C@H]5O[C@@]543)[C@@]2(C)[C@@H](O)C[C@H]1O ZINC000299873056 ID Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000299875177 ID Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000299875802 ID Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000299875803 ID Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299877099 ID Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299877100 ID Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000299881508 ID Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000299881509 ID Annotated Anodyne C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000299884311 ID Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@H](C)C[C@@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3[C@H](O)[C@H]12 ZINC000299885717 ID Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@@H](CNCc4ccco4)[C@H]3[C@H](O)[C@H]12 ZINC000299885718 ID Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@H](C)C[C@@H]3OC(=O)[C@@H](CNCc4ccco4)[C@H]3[C@H](O)[C@H]12 ZINC000299885719 ID Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3[C@H](O)[C@H]12 ZINC000299885720 ID Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2cccnc2SC)C1 ZINC000299886947 ID Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2cccnc2SC)C1 ZINC000299886948 ID Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299887824 ID Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299887825 ID Annotated Anodyne CCn1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(=O)c2ccc(C)nc21 ZINC000003017572 ID Annotated Anodyne NC(=O)C1(N2CCCCC2)CCN(C(=O)Cn2c(=S)[nH]c3ccccc3c2=O)CC1 ZINC000003043927 ID Annotated Anodyne N#Cc1ccc(/C=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000003233136 ID Annotated Reactive O=S(=O)(c1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1)N1CCOCC1 ZINC000003279991 ID Annotated Anodyne COCCCN(C(=S)NC(=O)C(C)(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003306812 ID Annotated Anodyne C=CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003349831 ID Annotated Mild NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3ccc(C(F)(F)F)n3)o2)cc1 ZINC000003438110 ID Annotated Reactive C=C1NC(=O)[C@H](CCCc2ccc(OC)cc2)NC(=O)[C@H](C(C)C)OC(=O)[C@H](C)NC1=O ZINC000030731509 ID Annotated Anodyne in-vitro CC1(C)O[C@H]2[C@H](O1)[C@H](CI)O[C@@H]2n1cc(Cl)c(O)nc1=O ZINC000306146502 ID Annotated Reactive CC1(C)O[C@@H]2[C@H](CI)O[C@@H](n3cc(Cl)c(O)nc3=O)[C@@H]2O1 ZINC000306146503 ID Annotated Reactive CC1(C)O[C@H]2[C@H](O1)[C@H](n1cc(Cl)c(O)nc1=O)O[C@H]2CI ZINC000306146504 ID Annotated Reactive CC1(C)O[C@@H]2[C@H](CI)O[C@H](n3cc(Cl)c(O)nc3=O)[C@@H]2O1 ZINC000306146505 ID Annotated Reactive CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1C(C)=O)[C@@H]32 ZINC000306146912 ID Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1C(C)=O)[C@@H]32 ZINC000306146913 ID Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1C(C)=O)[C@H]32 ZINC000306146914 ID Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1C(C)=O)[C@H]32 ZINC000306146915 ID Annotated Anodyne O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000031160877 ID Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)cc1)C[C@@H](CCc1ccc(O)cc1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000031160881 ID Annotated Anodyne CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)[C@H]1C(=O)OC ZINC000031424987 ID Annotated Clean in-vitro CC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O ZINC000031489891 ID Annotated Clean COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(O)c1 ZINC000031501600 ID Annotated Reactive Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(C=O)[C@]12O ZINC000031518351 ID Annotated Reactive COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@]1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O ZINC000031543961 ID Annotated Clean COC(=O)C1=C[C@]2(O)CCCN3CC[C@]4(C3=O)c3ccccc3N(C(=O)OC)[C@]14CC2 ZINC000031544146 ID Annotated Anodyne C[C@H]1O[C@@H]([C@@H]2CC=CC3=Nc4c5c(c6c(c4=C32)=CN=C6)C2=CC(=O)CCC2=N5)C[C@H](O)[C@@H]1O ZINC000031544660 ID Annotated Mild in-vitro C[C@H]1O[C@@H]([C@H]2CC=CC3=Nc4c5c(c6c(c4=C32)=CN=C6)C2=CC(=O)CCC2=N5)C[C@H](O)[C@@H]1O ZINC000031544665 ID Annotated Mild in-vitro O=C1c2ccccc2C(=O)N1CCN(CCN1C(=O)c2ccccc2C1=O)Cn1cccn1 ZINC000031820447 ID Annotated Anodyne CCOC(=O)[C@@H]1C=C2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]2[C@@H]2C(=O)CCC(=O)[C@]21C(=O)OC ZINC000031830066 ID Annotated Anodyne COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@H]1[C@H]3OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000031841969 ID Annotated Anodyne COC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@H]1[C@H]3OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000031841970 ID Annotated Anodyne O=c1[nH]nc(Cc2ccccc2)n1/N=C\CC/C=N\n1c(Cc2ccccc2)n[nH]c1=O ZINC000031871098 ID Annotated Mild C(=N\N=C1NCCCN1)\c1ccc2nc(-c3ccc(/C=N/N=C4NCCCN4)cc3)cn2c1 ZINC000031872684 ID Annotated Mild C(=N\N=C1NCCCN1)\c1ccc(-c2cn3cc(/C=N/N=C4NCCCN4)ccc3n2)cc1 ZINC000031872686 ID Annotated Mild COC(=O)[C@@]12O[C@@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)[C@@H](CC(=O)OC(C)(C)C)C2=O ZINC000031898901 ID Annotated Anodyne OC[C@H](O)COCn1cc(Cn2ncc3c(SCc4ccccc4)ncnc32)nn1 ZINC000031904955 ID Annotated Anodyne OC[C@H](O)COCn1nncc1Cn1ncc2c(SCc3ccccc3)ncnc21 ZINC000031904956 ID Annotated Anodyne CO[C@]12C[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)O[C@H]1NC(=O)N2 ZINC000031910065 ID Annotated Anodyne CCCCCC[C@@H](O)C(=O)O[C@H]1CC(C)(C)[C@@H]2CC=C(C=O)[C@@H]3[C@@H](O)OC(=O)[C@@]32[C@H]1O ZINC000031998352 ID Annotated Reactive C[C@@H]1CN(C(=O)c2ccccn2)CCN1C(=O)C(=O)c1c[nH]c2c(C(N)=O)ccc(F)c12 ZINC000032086826 ID Annotated Anodyne C[C@H](N[P@@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1)C(=O)OCCc1ccccc1 ZINC000032087516 ID Annotated Anodyne C[C@H](N[P@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1)C(=O)OCCc1ccccc1 ZINC000032087520 ID Annotated Anodyne CN(Cc1c(C(=O)N/N=C\c2cccc(F)c2)nnn1-c1nonc1N)c1ccccc1 ZINC000033361387 ID Annotated Reactive CN(Cc1c(C(=O)N/N=C\c2cccc(O)c2)nnn1-c1nonc1N)c1ccccc1 ZINC000033361391 ID Annotated Reactive CN(Cc1c(C(=O)N/N=C\c2ccc(F)cc2)nnn1-c1nonc1N)C1CCCCC1 ZINC000033372425 ID Annotated Reactive CN(Cc1c(C(=O)N/N=C\c2cccc(O)c2)nnn1-c1nonc1N)C1CCCCC1 ZINC000033374540 ID Annotated Reactive COc1cccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c1 ZINC000033392458 ID Annotated Reactive O=C(NCC(=O)N1CCC2(CC1)CCN(C(=S)NC[C@@H]1CCCO1)C2)c1ccco1 ZINC000033507040 ID Annotated Anodyne O=C(O)CN1C(=O)/C(=c2/sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21 ZINC000033607257 ID Annotated Anodyne C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1cc([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)ccc1C2=O ZINC000033753241 ID Annotated Mild in-vitro C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1cc([C@@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)ccc1C2=O ZINC000033753242 ID Annotated Mild in-vitro CN(CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=N/c1c(Cl)cc(Cl)cc1Cl ZINC000033753759 ID Annotated Clean Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2)c1CN1CCc2ccccc21 ZINC000033789568 ID Annotated Reactive C[C@]12[C@H](O)C(=O)[C@@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000033829978 ID Annotated Anodyne C[C@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@H](O)/C=C/C=C/C=C/CO)OP(=O)(O)O ZINC000033838847 ID Annotated Anodyne in-man COC(=O)[C@H]1CO[C@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000033903727 ID Annotated Anodyne C[C@@H]1/C=C/CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C/CC(=O)OC[C@H]2O[C@H]1C=C[C@@H]2O ZINC000033943469 ID Annotated Anodyne C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@@]1(O)C(=O)N[C@]2(O)CCO[C@H]21)C(=O)OC ZINC000033955788 ID Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNc4ccc(CN)cc4)C3)[C@H](C)[C@H]12 ZINC000034013119 ID Annotated Anodyne C[C@H](N)c1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 ZINC000034014115 ID Annotated Anodyne C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1 ZINC000034072624 ID Annotated Anodyne CC(=O)/C=c1\[nH]/c(=C\C=C\c2ccccc2)c(=O)n1/C=C1\C(=O)Oc2ccccc2C1=O ZINC000034074218 ID Annotated Mild COc1cc2c(cc1OC(=O)C[C@H](C)O)[C@H]1[C@H](OC2=O)[C@@H](OC(C)=O)C=C2CCN(C)[C@H]21 ZINC000034208206 ID Annotated Anodyne CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000034233663 ID Annotated Anodyne C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=C(C3=O)S(=O)(=O)CCN1 ZINC000034235514 ID Annotated Mild C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2O[C@@H]2C(=O)[C@@](C)(O)[C@@H]1OC(=O)C(=C)C ZINC000034393285 ID Annotated Anodyne C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@H](C)c2nc3ccccc3c(=O)n21 ZINC000034499295 ID Annotated Anodyne C/C=C(\C=C(C)\C=C(C)/C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000034518371 ID Annotated Mild C=C(C)[C@@H]1C[C@@]2(OC)O[C@@]3(C=C2C(=O)OC)[C@H]2[C@H](C(C(=O)OC)=C[C@@H]13)[C@H](O)C[C@]2(C)O ZINC000034567958 ID Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)([C@@H](OC(C)=O)C[C@@H]2C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]32C)[C@@H]1O ZINC000034585511 ID Annotated Mild CC(C)=CCn1c(O[C@@H]2CCNC2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C ZINC000034643456 ID Annotated Anodyne Cc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000034689931 ID Annotated Reactive C=C(CO)C(=O)O[C@H]1C[C@H]2C(=C)C[C@H](OC(=O)C(=C)CO)[C@H]3C(=C)C(=O)O[C@@H]3[C@H]2C1=C ZINC000034725464 ID Annotated Mild CC(=O)OC[C@](O)(COC(=O)c1ccccc1)[C@H](O)/C=C\COC(=O)c1ccccc1 ZINC000034770899 ID Annotated Anodyne CSCO[C@]1(C)CO[C@](C)(CC(=O)NC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000034817099 ID Annotated Anodyne CSCO[C@]1(C)CO[C@@](C)(CC(=O)NC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000034817101 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3cncn3)ncc(F)c12 ZINC000034820940 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3nccn3)ncc(F)c12 ZINC000034820942 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3nccn3)ccnc12 ZINC000034821145 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3ccnn3)ccnc12 ZINC000034821147 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3cncn3)ccnc12 ZINC000034821150 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3cccn3)ccnc12 ZINC000034821152 ID Annotated Anodyne CNC(=O)c1ncc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000034821178 ID Annotated Anodyne COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000034857506 ID Annotated Mild COc1ccc(OC)c(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)n[nH]3)c2=O)c1 ZINC000034861338 ID Annotated Anodyne CCN1CCC(NC(=O)c2nc(N3CCN(c4ncccn4)CC3)c3nccn3c2C)CC1 ZINC000034867321 ID Annotated Anodyne CC(C)C(=O)Oc1ccc(-c2cn3c(O)c4ncn(COC(CO)CO)c4nc3n2)cc1 ZINC000003586088 ID Annotated Anodyne CC(=O)Nc1ccc(N2C(=O)[C@H]3C4CCC(NC(=O)OCC(=O)O)(CC4)[C@H]3C2=O)cc1 ZINC000003606329 ID Annotated Anodyne in-vitro CCCCn1cnnc1NS(=O)(=O)c1cc(C(N)=O)c(Cl)cc1SCC(=O)O ZINC000003611263 ID Annotated Anodyne COc1ccc(C(N)=O)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000003640088 ID Annotated Anodyne CNC(=O)c1ccc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000003640096 ID Annotated Anodyne O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccccc1 ZINC000003640602 ID Annotated Anodyne O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccccc1 ZINC000003640604 ID Annotated Anodyne NNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000003648816 ID Annotated Reactive O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nnn[nH]3)ccc(F)c12 ZINC000003648851 ID Annotated Anodyne CNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000003648858 ID Annotated Anodyne CN1C(=O)C([C@H]2c3c(n(C)c(=O)n(C)c3=O)Oc3ccc4ccccc4c32)C(=O)N(C)C1=O ZINC000003682886 ID Annotated Anodyne CN(C)S(=O)(=O)N(C)C[C@H](C(=O)NO)[C@@H](CC1CCCC1)C(=O)N1CCCCC1 ZINC000003820553 ID Annotated Anodyne O=C(NCC(=O)N1[C@H](C(=O)O)CC[C@@H]1c1cccc(O)c1)[C@@H](S)Cc1ccc(O)cc1 ZINC000003826226 ID Annotated Mild CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN(C)C)-c3cc(N)ccc3-n(c1=O)c24 ZINC000003842139 ID Annotated Anodyne COc1ccc2c(c1)-c1nn(CCN(C)C)c3ccc4c(=O)n(CCN(C)C)c(=O)n-2c4c13 ZINC000003842821 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N(C)CCc3ccccn3)S[C@H]12 ZINC000003927523 ID Annotated Anodyne C[C@H]1C(c2cn3cnc(C(=O)c4cccnc4)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000003943588 ID Annotated Anodyne CCOC(=O)CCNC(=O)N1CCC2(CC1)CCN(c1ccc(C(=N)NO)cc1)C2=O ZINC000003947886 ID Annotated Anodyne O=C(O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC3=NCCN3)c2)C1)c1cccnc1 ZINC000003954836 ID Annotated Anodyne COC(OC)[C@@]1(C)Oc2ccc(N)cc2[C@@H](N/C(=N/Cc2ccccc2)NC#N)[C@@H]1O ZINC000003954922 ID Annotated Mild O=c1[nH]/c(=C\c2ccccn2)c(=O)[nH]/c1=C\c1ccc(OCCCc2cccnc2)cc1 ZINC000003955592 ID Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)sc2n1 ZINC000003960217 ID Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)sc2n1 ZINC000003960233 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CSc4cnns4)C3)[C@H](C)[C@H]12 ZINC000003964200 ID Annotated Anodyne O=C(O)c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)c2c1 ZINC000003978532 ID Annotated Clean in-man CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](C(=O)O)OC(=O)[C@@H]5O[C@@]543)[C@@]2(C)[C@@H](O)C[C@H]1O ZINC000003978601 ID Annotated Anodyne O=C([C@@H](O)CO)N1CC=C(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 ZINC000003982516 ID Annotated Anodyne C[C@H]1C(CN2Cc3cccc4cccc(c34)S2(=O)=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000003982691 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](/C=C/c4cc(C(=O)O)no4)C3)[C@H](C)[C@H]12 ZINC000003986744 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](/C=C/c4cc(C(=O)O)on4)C3)[C@H](C)[C@H]12 ZINC000003986745 ID Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(N3C=CS(=O)(=O)CC3)cc2)C(=O)O1)C(Cl)Cl ZINC000003986753 ID Annotated Reactive COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 ZINC000003987622 ID Annotated Anodyne CN(C)S(=O)(=O)Oc1c2c(c(O)c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000035001643 ID Annotated Anodyne C=CCN(CCN(Cc1cncn1C)c1ccc(C#N)cc1)S(=O)(=O)c1cn(C)cn1 ZINC000035049848 ID Annotated Mild C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(S(=O)(=O)N/N=C/c4ccccc4)cc3)C(=O)[C@H]12 ZINC000035075663 ID Annotated Anodyne C=C(C)[C@H]1Cc2oc(cc2C=O)[C@H](O)[C@](C)(O)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H](OC(C)=O)C1 ZINC000035086333 ID Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1C(=O)C=C(COC(=O)[C@@H](C)COS(=O)(=O)O)[C@@H]12 ZINC000035241953 ID Annotated Mild CN1CCN(c2ccnc(-n3ccnc3)n2)[C@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000035273985 ID Annotated Anodyne CC(=O)Nc1ccc(N2C(=O)[C@H]3C4CCC(NC(=O)OCC(=O)O)(CC4)[C@@H]3C2=O)cc1 ZINC000035275385 ID Annotated Anodyne in-vitro CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2CCC3(NC(=O)OCC(=O)O)CC2)cc1 ZINC000035275390 ID Annotated Anodyne in-vitro C[C@H](O)[C@@]12O[C@]13c1cc(O)c4c(c1N[C@H]2C#C/C=C\C#C[C@H]3O)C(=O)c1ccccc1C4=O ZINC000035286021 ID Annotated Mild C=C1CC[C@H](O)/C(C)=C\C[C@H](C(C)C)[C@H](O[C@H]2O[C@@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000035455537 ID Annotated Mild C=C1CC[C@H](O)/C(C)=C\C[C@@H](C(C)C)[C@H](O[C@H]2O[C@@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000035455542 ID Annotated Mild C=CC(C)(C)[C@@]12CC(=O)C(=O)N3/C(=C/c4cnc[nH]4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000035458600 ID Annotated Mild CC(C)=CCn1c(O[C@H]2CCNC2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C ZINC000035935734 ID Annotated Anodyne CCCCCC[C@@H](O)/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)OC1(C)C ZINC000035952178 ID Annotated Anodyne O=C(c1ccco1)N1CCN(CC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1 ZINC000036057368 ID Annotated Anodyne CN1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)CC1 ZINC000036067283 ID Annotated Anodyne CCCN1C(=O)[C@H]2N[C@@H](C3CCCC3)N[C@H]2N(CCCOC(=O)CBr)C1=O ZINC000036123957 ID Annotated Reactive CCCN1C(=O)[C@@H]2N[C@@H](C3CCCC3)N[C@H]2N(CCCOC(=O)CBr)C1=O ZINC000036123960 ID Annotated Reactive CCOC(=O)[C@](Cc1ccc(NS(=O)(=O)O)cc1)(NC(=O)OC(C)(C)C)C(=O)OC ZINC000036179179 ID Annotated Anodyne CCOC(=O)[C@@](Cc1ccc(NS(=O)(=O)O)cc1)(NC(=O)OC(C)(C)C)C(=O)OC ZINC000036179182 ID Annotated Anodyne COC(=O)C(COCc1ccccc1)(Cc1ccc(NS(=O)(=O)O)cc1)C(=O)OC ZINC000036179204 ID Annotated Anodyne N=C(N)Nc1ccc(Cl)c(N2C[C@H](C(=O)N[C@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000036269130 ID Annotated Anodyne N=C(N)Nc1ccc(F)c(N2C[C@H](C(=O)N[C@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000036269135 ID Annotated Anodyne CC[C@@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H]2CO1 ZINC000036374724 ID Annotated Mild CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H]2CO1 ZINC000036374726 ID Annotated Mild CC[C@@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H]2CO1 ZINC000036374728 ID Annotated Mild CC[C@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H]2CO1 ZINC000036374730 ID Annotated Mild C=C1CC[C@H](O)/C(C)=C\C[C@H](C(C)C)[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000036374974 ID Annotated Mild C=C1CC[C@H](O)/C(C)=C\C[C@@H](C(C)C)[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000036374976 ID Annotated Mild O=C(O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375625 ID Annotated Anodyne C[C@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@@H]2C(=O)c2c(O)c([C@]3(O)CC[C@@H](O)[C@H]4O[C@H]43)cn(O)c2=O)C1 ZINC000036378634 ID Annotated Anodyne COCCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(C)c1ccccc13 ZINC000036381564 ID Annotated Anodyne C=CCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(CC#CC)c1ccccc13 ZINC000036381576 ID Annotated Mild COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](CO)N=C3N1 ZINC000036381594 ID Annotated Anodyne O=C(O)[C@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000036383334 ID Annotated Anodyne CCOC(=O)/C(=C\[C@@H](C#N)C(=O)OCC)C(=N)N1CCN(c2ccc(OC)cc2)CC1 ZINC000036383526 ID Annotated Mild C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCNCC2)nn1 ZINC000036386735 ID Annotated Anodyne Cc1cn([C@H](C(=O)NCCCCCCCCCCC(=O)N2CCNCC2)[C@@H](C)O)nn1 ZINC000036386762 ID Annotated Anodyne CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3CC[C@@H]12 ZINC000036387012 ID Annotated Reactive CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@H]3CC[C@@H]12 ZINC000036387015 ID Annotated Reactive CN(C)S(=O)(=O)n1cnc([C@H]2c3c(ncn3Cc3ccccc3)C[C@H]3COC(=O)[C@H]23)c1 ZINC000036387958 ID Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036388521 ID Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@@]12C ZINC000036389028 ID Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(C[C@H]3CCCO3)C(=O)[C@@]12C ZINC000036389029 ID Annotated Anodyne C[C@H](N)C(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1 ZINC000036411326 ID Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](OS(=O)(=O)O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000036425817 ID Annotated Mild in-vitro biogenic COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccnc1)N(C)[C@H]2c1cccnc1 ZINC000036445029 ID Annotated Anodyne CCOC(=O)/C(=C\[C@H](C#N)C(=O)OCC)C(=N)N1CCN(c2ccc(OC)cc2)CC1 ZINC000037865949 ID Annotated Mild CCN(CC)[N+](=O)NOc1cc(ON[N+](=O)N(CC)CC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377795111 ID Annotated Bother O=[n+]1[nH]c2c(I)cnn2c2cc(I)ccc21 ZINC000377797791 ID Annotated Anodyne O=C(CON[N+](=O)N1CCCC1)NCCCN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000377803792 ID Annotated Anodyne CN(C)[N+](=O)NOc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377803819 ID Annotated Reactive CCOP(=O)(OCC)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377830152 ID Annotated Bother CC(C)(C)OC(=O)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377830449 ID Annotated Bother CCOC(=O)N1CCCN([N+](=O)NOc2cc(OC)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377840780 ID Annotated Bother CC1=CC(=[S@](=O)(O)NC(=C(C#N)C#N)n2ccc(=[N+](C)C)cc2)C(=S)C=C1Cl ZINC000377843641 ID Annotated Reactive O=[n+]1[nH]c2c(I)cnn2c2cc(OCc3cc[n+]([O-])cc3)ccc21 ZINC000377845529 ID Annotated Anodyne CN(C)C1=N[C@H]2C([N+](=O)[O-])=C3C=CC(=[N+]([O-])O)C=C3[C@@H]([C@H]1c1ccccc1)[C@@H]2[N+](=O)[O-] ZINC000377934489 ID Annotated Mild CN(C)C1=N[C@H]2C([N+](=O)[O-])=C3C=CC(=[N+]([O-])O)C=C3[C@H]([C@@H]2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000377934507 ID Annotated Mild CN(C)C1=N[C@H]2C([N+](=O)[O-])=C3C=CC(=[N+]([O-])O)C=C3[C@@H]([C@@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000377934508 ID Annotated Mild CN(C)C1=N[C@H]2C([N+](=O)[O-])=C3C=CC(=[N+]([O-])O)C=C3[C@@H]([C@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000377934509 ID Annotated Mild CN(C)C1=N[C@H]2C3=CC(=[N+]([O-])O)C=CC3=C([N+](=O)[O-])[C@@H]([C@@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000377934511 ID Annotated Mild CN(C)C1=N[C@H]2C3=CC(=[N+]([O-])O)C=CC3=C([N+](=O)[O-])[C@@H]([C@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000377934513 ID Annotated Mild CN(C)C1=N[C@H]2C3=CC(=[N+]([O-])O)C=CC3=C([N+](=O)[O-])[C@@H]([C@H]1c1ccccc1)[C@@H]2[N+](=O)[O-] ZINC000377934516 ID Annotated Mild CN(C)C1=N[C@H]2C3=CC(=[N+]([O-])O)C=CC3=C([N+](=O)[O-])[C@H]([C@@H]2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000377934518 ID Annotated Mild CN(C)c1ccc(C(=O)Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000378655025 ID Annotated Reactive COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O ZINC000038143398 ID Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(N=C4C=CC(=N)C=C4)c(C)c(O)c3N1C[C@@H]1N[C@@H]12 ZINC000038150260 ID Annotated Mild O=C1C(I)=C(N2CC2)C(=O)C(I)=C1N1CC1 ZINC000038151968 ID Annotated Mild NC(=O)C(=O)N/N=C1/c2ccccc2C[C@@H]1[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 ZINC000038179394 ID Annotated Reactive NC(=O)C(=O)N/N=C1/c2ccccc2C[C@H]1[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 ZINC000038179396 ID Annotated Reactive O=C1C([N+](=O)[O-])=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000038182229 ID Annotated Reactive CC(C)=CCn1c(OCC(C)(C)N)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C ZINC000038254149 ID Annotated Anodyne COC(=O)[C@@H]1[C@@H](/C(=C\C[C@H](O)C(C)(C)O)COC(C)=O)CC[C@@]2(C)C[C@]1(O)CC[C@H]2O ZINC000038269280 ID Annotated Anodyne COC(=O)[C@@H]1[C@@H](/C(=C\C[C@@H](O)C(C)(C)O)COC(C)=O)CC[C@@]2(C)C[C@]1(O)CC[C@H]2O ZINC000038269281 ID Annotated Anodyne C=C[C@@]1(C)C[C@@H](O)[C@@H]2[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]2(O)C1=O ZINC000038300250 ID Annotated Mild in-vitro biogenic CCC#CCOc1ccc(CCNC(=O)[C@H](CCSC)NS(C)(=O)=O)cc1OC ZINC000038309764 ID Annotated Mild CC[C@H](C=O)[C@@H]1[C@@H](NS(C)(=O)=O)CCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000038321466 ID Annotated Mild in-vivo CC1=C[C@@]2(O)[C@](O)(C(=O)[C@@H](C)C[C@@H]3C(=O)C(C)=C[C@H]3O)[C@@H]3[C@H](CC[C@H]3C)[C@@H](C)[C@@]2(O)OC1 ZINC000038335482 ID Annotated Mild in-vitro CC(=O)O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](/C=C\[C@H]1CC=CC(=O)O1)OC(C)=O ZINC000038428131 ID Annotated Anodyne C/C=C/C=C/C1=C2C3=CC(=O)[C@@](C)(OC(=O)C[C@@H](C)O)C(=O)C3=CN3CC[C@H](O)[C@H](O1)[C@@H]23 ZINC000038429005 ID Annotated Mild in-vitro CC(=O)O[C@@H]1C[C@@H](C)O[C@]2(O[C@H](CC(=O)O)CC3=C2C(=O)c2c(O)cccc2C3=O)[C@H]1O ZINC000038513983 ID Annotated Mild in-vitro CC(=O)Nc1ccc(C(=O)NC2=Nc3cc(N4CCOCC4)ccc3C3=NCCN23)cn1 ZINC000038560491 ID Annotated Anodyne CCN(CC)C(=S)SC[C@H]1O[C@@H](O)[C@H](O)[C@@H](SC(=S)N(CC)CC)[C@@H]1O ZINC000038561740 ID Annotated Anodyne CCN(CC)C(=S)SC[C@H]1O[C@H](O)[C@H](O)[C@@H](SC(=S)N(CC)CC)[C@@H]1O ZINC000038561742 ID Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000038655481 ID Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12O[C@@H](C)CC[C@H]2O ZINC000038655748 ID Annotated Mild NC(=O)N/N=C/c1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000038801626 ID Annotated Reactive CC(=O)N/N=C/c1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000038801632 ID Annotated Reactive Cc1cc(=O)oc2c3c(ccc12)OCC(CN1CCOCC1)(CN1CCOCC1)C3=O ZINC000038839453 ID Annotated Anodyne C=C1C(=O)[C@@]23CO[C@@H](O)[C@@H]4C(C)(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(C)[C@]24O[C@@H]4C[C@@H]1C3 ZINC000038841118 ID Annotated Mild CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)c(NCC(=O)O)c1 ZINC000038855188 ID Annotated Anodyne COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 ZINC000038906597 ID Annotated Anodyne C[C@H]1O[C@@H](C2=CC(=O)c3cc4c(c(O)c3C2=O)[C@@H](C)O[C@@H]2CC(=O)O[C@H]42)C[C@@H](O)C1=O ZINC000038940004 ID Annotated Mild COc1cc([C@H]2[C@@H](O)N(C)C(=O)[C@]23CCC(=O)N3)c(Br)cc1Br ZINC000038992229 ID Annotated Anodyne O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(NS(=O)(=O)C(F)(F)F)cc1 ZINC000039034332 ID Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CCC(=O)[C@]21C ZINC000039107682 ID Annotated Anodyne C[C@@H]1CN(CC2(C(N)=O)CC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000039110046 ID Annotated Anodyne in-vivo Cc1cc2c(cc1S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N[C@@H](C1CCCC1)C2 ZINC000039286895 ID Annotated Anodyne in-vivo Cc1csc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)=NC(=O)N=4)cc2)n1 ZINC000039780470 ID Annotated Anodyne CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 ZINC000004001705 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)CC1 ZINC000004004805 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1 ZINC000004034591 ID Annotated Anodyne aggregator COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)c(OC)c1OC ZINC000004039744 ID Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)c(OC)c1OC ZINC000004039747 ID Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)c(OC)c1OC ZINC000004039749 ID Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)c(OC)c1OC ZINC000004039753 ID Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCO)cc1 ZINC000004039775 ID Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCO)cc1 ZINC000004039778 ID Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCO)cc1 ZINC000004039779 ID Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCO)cc1 ZINC000004039781 ID Annotated Bother COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOCCO ZINC000004041203 ID Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOCCO ZINC000004041205 ID Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004041210 ID Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004041215 ID Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004049162 ID Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004049163 ID Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004049164 ID Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004049165 ID Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049174 ID Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049175 ID Annotated Bother O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049176 ID Annotated Bother O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049177 ID Annotated Bother Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)C[C@@H]2C)c1 ZINC000004057417 ID Annotated Anodyne CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000004078968 ID Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)CN(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000004098497 ID Annotated Anodyne in-vitro CCCCN(CCCC)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000004099399 ID Annotated Anodyne O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC2(CC1)OCCO2 ZINC000004102052 ID Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)[C@@H]1C ZINC000004102114 ID Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)[C@@H]1C ZINC000004102115 ID Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)[C@@H]1C ZINC000004102116 ID Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)[C@@H]1C ZINC000004102117 ID Annotated Anodyne CC1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nonc34)C2)CC1 ZINC000004115473 ID Annotated Anodyne CC1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nonc34)C2)CC1 ZINC000004115475 ID Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCO ZINC000004152176 ID Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCO ZINC000004152177 ID Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCO ZINC000004152178 ID Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCO ZINC000004152179 ID Annotated Bother CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC ZINC000004175468 ID Annotated Clean in-vitro NC(=O)Cn1c(=O)n(-c2ccc(CC(=O)NCc3ccco3)cc2)c(=O)c2sccc21 ZINC000004176346 ID Annotated Anodyne O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000004388727 ID Annotated Anodyne CNCc1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 ZINC000004394068 ID Annotated Anodyne COCCNC(=O)[C@H](c1ccccc1C)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000004399720 ID Annotated Anodyne COCCNC(=O)[C@@H](c1ccccc1C)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000004399721 ID Annotated Anodyne O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1Cl)C(P(=O)(O)O)P(=O)(O)O ZINC000040379396 ID Annotated Clean O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1Cl)C(P(=O)(O)O)P(=O)(O)O ZINC000040379397 ID Annotated Clean O=C1NC(=S)S[C@H]1[C@H](c1ccccc1Cl)C(P(=O)(O)O)P(=O)(O)O ZINC000040379398 ID Annotated Clean O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1Cl)C(P(=O)(O)O)P(=O)(O)O ZINC000040379399 ID Annotated Clean CC(=O)Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@@H](OC(=O)c3ccccc3O)CO[C@H]12 ZINC000040379653 ID Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3O)CO[C@H]12 ZINC000040380028 ID Annotated Anodyne CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)c(NC(=O)C(=O)O)c1 ZINC000040392908 ID Annotated Anodyne C=C1C[C@H](O)[C@H]2[C@H](CN[C@@H](Cc3ccccc3)C(=O)O)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000040394411 ID Annotated Mild COc1cc(Nc2nc(N[C@@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 ZINC000040394507 ID Annotated Anodyne CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@@H]1O ZINC000040394805 ID Annotated Mild CC(C)[C@H](N)C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@H]1O ZINC000040394806 ID Annotated Mild C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@](C2)([C@@H](OC(C)=O)C[C@@H]2C(C)(C)[C@@H](O)C[C@H](O)[C@@]32C)[C@@H]1O ZINC000040394807 ID Annotated Mild CCO[C@@H](C1=C[C@H]2C(c3ccc(O)cc3)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](O)[C@@H](O)CO ZINC000040394887 ID Annotated Clean CCO[C@@H](C1=C[C@@H]2C(c3ccc(O)cc3)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](O)[C@@H](O)CO ZINC000040394888 ID Annotated Clean CCO[C@@H](C1=C[C@H]2C(c3ccc(O)cc3)=NN(c3ccccc3)[C@H]2N=C1)[C@H](O)[C@@H](O)CO ZINC000040394889 ID Annotated Clean CCO[C@@H](C1=C[C@@H]2C(c3ccc(O)cc3)=NN(c3ccccc3)[C@H]2N=C1)[C@H](O)[C@@H](O)CO ZINC000040394890 ID Annotated Clean Nc1nc(CN[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12 ZINC000040395063 ID Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1c(C(=O)O)ccc(OC(C)=O)c1C2=O ZINC000040406878 ID Annotated Clean CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O ZINC000040409801 ID Annotated Anodyne C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN3CCOCC3)nn2)O1 ZINC000040410134 ID Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](O)CC[C@](C)(O)[C@H](OC(C)=O)C1 ZINC000040414122 ID Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](OC(C)=O)CC[C@](C)(O)[C@H](O)C1 ZINC000040420257 ID Annotated Mild C[C@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H]2C(=O)N[C@](C)(O1)c1nc3ccccc3c(=O)n12 ZINC000040420740 ID Annotated Anodyne C=CCOc1nc(OCC=C)nc(OC[C@@H]2CN(C(=S)NCc3ccco3)CCO2)n1 ZINC000040421700 ID Annotated Mild C[C@@H]1CN(CC2(C(N)=O)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000040422724 ID Annotated Anodyne CO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(CNCc3ccccc3)=C(C)C2=O)[C@H]1O ZINC000040423831 ID Annotated Mild C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 ZINC000040424112 ID Annotated Mild C[C@@H]1O[C@H](N2C(=O)/C(=C3\Nc4ccc(Cl)cc4C3=O)c3ccccc32)[C@H](O)[C@H](O)[C@H]1O ZINC000040424812 ID Annotated Mild C=CS(=O)(=O)[C@H]1C[C@@](CCC(=O)OC)(C(=O)OC)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000040429617 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@](C)(CC(=O)OC[C@@H]2O[C@H](N3C=C(C)CNC3=O)C[C@@H]2O)C1 ZINC000040454516 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@](C)(CC(=O)OC[C@@H]2O[C@H](N3C=C(C)CNC3=O)C[C@H]2O)C1 ZINC000040454521 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@](C)(CC(=O)OC[C@@H]2O[C@@H](N3C=C(C)CNC3=O)C[C@H]2O)C1 ZINC000040454525 ID Annotated Anodyne COCCN(CCOC)[C@@H](CCS(C)(=O)=O)C(=O)Oc1c(OC)cccc1OC ZINC000040465176 ID Annotated Anodyne COCCN(CCOC)[C@H](CCS(C)(=O)=O)C(=O)Oc1c(OC)cccc1OC ZINC000040465177 ID Annotated Anodyne COCCN(CCOC)[C@H](CCS(C)(=O)=O)C(=O)Oc1c(OC)cc(C)cc1OC ZINC000040465479 ID Annotated Anodyne COCCN(CCOC)[C@@H](CCS(C)(=O)=O)C(=O)Oc1c(OC)cc(C)cc1OC ZINC000040465481 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](COc4ccc(CN)cc4)C3)[C@H](C)[C@H]12 ZINC000040465899 ID Annotated Anodyne N#CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3cc(Cl)ccc3Cl)CN2C1 ZINC000040475139 ID Annotated Reactive C(=N\N=C1NCCCN1)\c1ccc(-c2cn3cc(/C=N\N=C4NCCCN4)ccc3n2)cc1 ZINC000040496460 ID Annotated Mild C=CCc1ccc(OCC(=O)NC[C@@H](O)CNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040503574 ID Annotated Mild C=CCc1ccc(OCC(=O)NC[C@H](O)CNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040503576 ID Annotated Mild C/C=C/c1ccc(OCC(=O)NC[C@H](O)CNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040503715 ID Annotated Anodyne C/C=C/c1ccc(OCC(=O)NC[C@@H](O)CNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040503718 ID Annotated Anodyne C[C@@H](N)c1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 ZINC000040504752 ID Annotated Anodyne CCCC[S@@](=O)c1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000040504927 ID Annotated Anodyne CCCC[S@](=O)c1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000040504930 ID Annotated Anodyne CNCc1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)s1 ZINC000040505434 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000040520539 ID Annotated Anodyne C/C(S)=N/C[C@H]1CN(c2cc(F)c(N3CCN(CC(=N)NO)CC3)c(F)c2)C(=O)O1 ZINC000040565255 ID Annotated Mild O=C(NC[C@H]1CN(c2cc(F)c(N3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)F ZINC000040565644 ID Annotated Anodyne CO/C(S)=N/C[C@H]1CN(c2ccc(N3CCN(CC(=N)NO)CC3)c(F)c2)C(=O)O1 ZINC000040565664 ID Annotated Mild CC(=O)OCC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 ZINC000040567886 ID Annotated Anodyne CN(C)CCN(C)c1ccc(NCC[N+](C)(C)[O-])c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000040576776 ID Annotated Clean CO[C@@H]1CN(c2ccc(C#C[C@]3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)C[C@@H]1O ZINC000040616236 ID Annotated Mild in-vitro C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](Cc4ccc(CN)cc4)C3)[C@H](C)[C@H]12 ZINC000040620181 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](Cc4ccc(CN)cc4)C3)[C@H](C)[C@H]12 ZINC000040632189 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](c4ccc(CCN)cc4)C3)[C@H](C)[C@H]12 ZINC000040639849 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CCc4ccc(CN)cc4)C3)[C@H](C)[C@H]12 ZINC000040640613 ID Annotated Anodyne CN[C@@H]1CN2[C@@H](Cc3ccc(OC)cc3)[C@@H](O)[C@H]3C[C@@]2(CC[C@@H]3OP(=O)(O)O)C1 ZINC000040682498 ID Annotated Anodyne investigational CCOC(=O)/C(C#N)=C1/CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1 ZINC000040685300 ID Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2cc(C(C)(C)C)ccn2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040685588 ID Annotated Unstable O=c1ccn(CO[C@@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(=O)[nH]1 ZINC000040720184 ID Annotated Anodyne O=c1ccn(CO[C@@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(=O)[nH]1 ZINC000040720186 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000040738078 ID Annotated Anodyne N/C(CN1CCN(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1)=N\O ZINC000040762984 ID Annotated Mild Nc1ncnc2ncn([C@H]3CC[C@@H](COS(=O)(=O)NC(=O)c4ccccc4O)C3)c12 ZINC000040764368 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@](C)(CC(=O)NC[C@@H]2C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000040802559 ID Annotated Anodyne CSCO[C@@]1(C)CO[C@](C)(CC(=O)NC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000040802564 ID Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](c4ccc(C5(N)CC5)cc4)C3)[C@H](C)[C@H]12 ZINC000040812514 ID Annotated Anodyne C(=N\N=C1NCCN1)\c1ccc(/C=C/c2cn3cc(/C=N\N=C4NCCN4)ccc3n2)cc1 ZINC000040822727 ID Annotated Mild C(=N\N=C1NCCN1)\c1ccc(/C=C/c2cn3cc(/C=N/N=C4NCCN4)ccc3n2)cc1 ZINC000040822730 ID Annotated Mild C(=N\N=C1NCCN1)\c1ccc2nc(/C=C/c3ccc(/C=N/N=C4NCCN4)cc3)cn2c1 ZINC000040822733 ID Annotated Mild O=C1CN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CCN1 ZINC000040846147 ID Annotated Anodyne O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@]2(CSC3=C2C(=O)c2ncccc2C3=O)N1 ZINC000040848339 ID Annotated Mild O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@]2(CSC3=C2C(=O)c2ncccc2C3=O)N1 ZINC000040848340 ID Annotated Mild CC(C)c1ccc(CCN(CC(=O)O)S(=O)(=O)c2cc(/C(N)=N/O)ccc2O)cc1 ZINC000040860321 ID Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]2(O)[C@@H](/C=C/C[C@H](C)[C@@H](O)[C@@H](C)O)[C@@H]1O ZINC000040861170 ID Annotated Mild O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)N1CCOCC1 ZINC000040863953 ID Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)N1CCOCC1 ZINC000040863955 ID Annotated Anodyne C[C@@H](N[P@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1)C(=O)OCCc1ccccc1 ZINC000040864107 ID Annotated Anodyne CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)c(OCC(=O)O)c1 ZINC000040864199 ID Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C2)[C@@H]1O ZINC000040867342 ID Annotated Mild in-vitro biogenic C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000040873824 ID Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C[C@H](OC(C)=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]23C)[C@@H]1O ZINC000040874179 ID Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)([C@@H](OC(C)=O)C[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]32C)[C@@H]1O ZINC000040874622 ID Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@@H](O)C[C@H](O)C(C)(C)[C@H]1C(=O)[C@@H]3OC(C)=O ZINC000040892752 ID Annotated Mild in-vitro biogenic CS(=O)(=O)CCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1 ZINC000040893732 ID Annotated Anodyne COC(=O)[C@@H]1C[C@H](NC(=O)c2cccnc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000040901093 ID Annotated Anodyne COc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCN(C)CC3)C1=O)CCO2 ZINC000040901241 ID Annotated Mild O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(OCc4ccc5ccccc5c4)c21)OCO3 ZINC000040913608 ID Annotated Anodyne O=C1CSCC(=O)Nc2cccc(n2)NC(=O)CSCC(=O)Nc2cccc(n2)N1 ZINC000040915025 ID Annotated Anodyne COc1ccc(OC)c(CC(=O)N[C@@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@@H]32)c1 ZINC000040918596 ID Annotated Anodyne CCNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(OC(F)(F)F)cc21 ZINC000040918764 ID Annotated Mild C=CCNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(OC(F)(F)F)cc21 ZINC000040918903 ID Annotated Mild Cc1ccc(-c2ccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 ZINC000040919053 ID Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 ZINC000040919054 ID Annotated Anodyne CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)cc1 ZINC000040919101 ID Annotated Mild CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)cc1 ZINC000040919102 ID Annotated Mild CCCNC(=O)NCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)NC(C)C)O2)nn1 ZINC000040933339 ID Annotated Mild CCC1=C[C@H]2C(=O)N(N)C(SCCCN3CCN(c4ncccn4)CC3)=N[C@@H]2S1 ZINC000040933624 ID Annotated Anodyne CCC1=C[C@@H]2C(=O)N(N)C(SCCCN3CCN(c4ncccn4)CC3)=N[C@@H]2S1 ZINC000040933626 ID Annotated Anodyne CCC1=C[C@H]2C(=O)N(N)C(SCCCN3CCN(c4ncccn4)CC3)=N[C@H]2S1 ZINC000040933628 ID Annotated Anodyne CCC1=C[C@@H]2C(=O)N(N)C(SCCCN3CCN(c4ncccn4)CC3)=N[C@H]2S1 ZINC000040933631 ID Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN3CCOCC3)nn2)O1 ZINC000040934925 ID Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cnco1)n2CCC(N)=O ZINC000040935209 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)c(OC)c1 ZINC000040935604 ID Annotated Mild COc1ccc(S(=O)(=O)N[C@H](C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)c(OC)c1 ZINC000040935606 ID Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cocn1)n2CCC(N)=O ZINC000040936014 ID Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)N3CC[C@H](O)[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 ZINC000040936275 ID Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ncco1)n2CCC(N)=O ZINC000040936360 ID Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CC[C@@](C)(CO)[C@H]1COC(C)=O ZINC000040937642 ID Annotated Mild COC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccsc1C(=O)OC ZINC000040953566 ID Annotated Anodyne COC(=O)C[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccsc1C(=O)OC ZINC000040953568 ID Annotated Anodyne O=C1CN(CCN2CCCCC2)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040956172 ID Annotated Mild O=C1CN(CCN2CCCCC2)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040956175 ID Annotated Mild CC1(C)N(O)C(c2ccc(OCC(=O)NCCCC[C@H](N)C(=O)O)cc2)=[N+]([O-])C1(C)C ZINC000040956672 ID Annotated Anodyne CN(C)c1ccc([C@H](C(P(=O)(O)O)P(=O)(O)O)[C@H]2SC(=S)NC2=O)cc1 ZINC000040973072 ID Annotated Clean CN(C)c1ccc([C@@H](C(P(=O)(O)O)P(=O)(O)O)[C@H]2SC(=S)NC2=O)cc1 ZINC000040973074 ID Annotated Clean CN(C)c1ccc([C@H](C(P(=O)(O)O)P(=O)(O)O)[C@@H]2SC(=S)NC2=O)cc1 ZINC000040973075 ID Annotated Clean CN(C)c1ccc([C@@H](C(P(=O)(O)O)P(=O)(O)O)[C@@H]2SC(=S)NC2=O)cc1 ZINC000040973077 ID Annotated Clean C[C@@H]1O[C@@H](N2C(=O)/C(=C3\Nc4ccc(Cl)cc4C3=O)c3ccccc32)[C@H](O)[C@H](O)[C@H]1O ZINC000040974099 ID Annotated Mild CCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2 ZINC000042878882 ID Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@@H]2OC(C)=O ZINC000042887943 ID Annotated Mild in-vitro biogenic CC(=O)N1CCN(c2cnc3ccn(S(=O)(=O)c4cccc5nonc45)c3c2)CC1 ZINC000043010176 ID Annotated Anodyne Nn1c(CS(=O)(=O)c2c[nH]cc2S(=O)(=O)c2ccc(Cl)cc2)n[nH]c1=S ZINC000043010775 ID Annotated Anodyne CN1CCN(C(=O)c2cnc3ccn(S(=O)(=O)c4ccccc4[N+](=O)[O-])c3c2)CC1 ZINC000043012120 ID Annotated Bother O=C(O)c1cn(C2CC2)c2nc(N3CCC[C@H]3Cn3cc(CO)nn3)c(F)cc2c1=O ZINC000043015653 ID Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000043023446 ID Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000043023449 ID Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C(Cl)=N/OC[C@H](O)CN3CCCCC3)oc2c1 ZINC000043059718 ID Annotated Mild CN(C)S(=O)(=O)c1ccc2nc(/C(Cl)=N/OC[C@@H](O)CN3CCCCC3)oc2c1 ZINC000043059720 ID Annotated Mild O=C(Cn1nc(N2CCN(c3ccccn3)CC2)ccc1=O)N/N=C/Cc1ccccc1 ZINC000043066562 ID Annotated Reactive Cc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4ccccn4)CC3)ccc2=O)cc1 ZINC000043066816 ID Annotated Reactive COC(=O)Cn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21 ZINC000043067821 ID Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000043075412 ID Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000043075415 ID Annotated Anodyne CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](O)[C@]2(O)COC(=O)CC(C)C ZINC000043076665 ID Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C5CC5)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043078211 ID Annotated Anodyne O=C(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)Oc1ccccc1C(=O)O ZINC000043153613 ID Annotated Anodyne CCn1c(C(=O)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)n(COP(=O)(O)O)c1=O ZINC000043202165 ID Annotated Mild COC1=C(SC(C)C)C(=O)C2=C(C[C@H]3[C@H]4[C@H](C(=O)O)C[C@@H]([C@@H]5OC[C@@H]2N53)N4C)C1=O ZINC000043226459 ID Annotated Mild COC1=C(SC(C)C)C(=O)C2=C(C[C@H]3[C@H]4[C@H](C(=O)O)C[C@@H]([C@H]5OC[C@@H]2N35)N4C)C1=O ZINC000043226460 ID Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](CC(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O ZINC000043300304 ID Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](CC(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O ZINC000043300306 ID Annotated Mild CCCCCCCCCC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000043352414 ID Annotated Mild CCCCCCCCCC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000043352417 ID Annotated Mild O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000043640848 ID Annotated Unstable COC1=C(SC(C)C)C(=O)C2=C(C1=O)[C@@H]1CO[C@@H]3[C@@H]4C[C@@H](C(=O)O)[C@H]([C@H](C2)N13)N4C ZINC000043683120 ID Annotated Mild COC1=C(SC(C)C)C(=O)C2=C(C1=O)[C@@H]1CO[C@H]3[C@@H]4C[C@@H](C(=O)O)[C@H]([C@H](C2)N31)N4C ZINC000043683122 ID Annotated Mild C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@@]12CO2 ZINC000044201788 ID Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@@]12CO2 ZINC000044201790 ID Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]([C@]2(C)CO2)Cc2oc(cc2C=O)[C@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@]13O[C@@H]23 ZINC000044403990 ID Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]([C@@]2(C)CO2)Cc2oc(cc2C=O)[C@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@]13O[C@@H]23 ZINC000044403994 ID Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000004533637 ID Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000004533638 ID Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000004533639 ID Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000004547182 ID Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000004547185 ID Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000004547189 ID Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000004547193 ID Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCO)N(C(=O)c3cnccn3)C2)cc1 ZINC000004547921 ID Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCO)N(C(=O)c3cnccn3)C2)cc1 ZINC000004547924 ID Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3cnccn3)C2)cc1 ZINC000004547929 ID Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3cnccn3)C2)cc1 ZINC000004547933 ID Annotated Anodyne O=C(O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC3=NCCN3)c2)C1)c1cccnc1 ZINC000004641780 ID Annotated Anodyne COCCCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000004757966 ID Annotated Anodyne O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)N1CCN(c2ncccn2)CC1 ZINC000004790153 ID Annotated Anodyne O=C(Nc1ccc(CCNC2=NCCN2)cc1)Nc1ccc(CCNC2=NCCN2)cc1 ZINC000045228365 ID Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cccc(O)c3)CO[C@H]12 ZINC000045245659 ID Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]([C@H]2C(=N)ON=C2N)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000045246007 ID Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@H]([C@H]2C(=N)ON=C2N)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000045246008 ID Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnn(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC000045253684 ID Annotated Bother Cc1c2c(nn1CC(=O)N/N=C/c1ccc(O)cc1O)-c1ccccc1S(=O)(=O)N2C ZINC000045253835 ID Annotated Reactive CCS(=O)(=O)N1C[C@@H]2c3cn[nH]c3C[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045254595 ID Annotated Anodyne O=CNC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000045256790 ID Annotated Bother CCC(=O)N1CCN(c2nc(NC(=O)NCCC(=O)O)nc3sc(CC)cc23)CC1 ZINC000045257082 ID Annotated Anodyne CNC(=O)c1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)n1 ZINC000045257588 ID Annotated Anodyne CNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cn1 ZINC000045257926 ID Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@@H]1CN(S(=O)(=O)C1CC1)C2 ZINC000045283672 ID Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1nnc([C@H](O)[C@@H](O)[C@H](O)CO)n1[C@H]2c1ccc(Cl)cc1 ZINC000045287479 ID Annotated Mild COC[C@H](C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC/C(=N/OC)[C@@](C)(N)C3)cc21 ZINC000045290311 ID Annotated Mild COC[C@H](C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC/C(=N/OC)[C@](C)(N)C3)cc21 ZINC000045290314 ID Annotated Mild C#CCCOCc1n[nH]nc1CNS(=O)(=O)c1ccc(I)cc1 ZINC000045299595 ID Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1nnc([C@@H](O)[C@@H](O)[C@H](O)CO)n1[C@@H]2c1ccc(Cl)cc1 ZINC000045299938 ID Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1nnc([C@@H](O)[C@H](O)[C@H](O)CO)n1[C@H]2c1ccc(Cl)cc1 ZINC000045299940 ID Annotated Mild CN1CCOc2ccc(S(=O)(=O)Nc3ccc4c(c3)/C(=N\NC3=NCCN3)CC4)cc21 ZINC000045300379 ID Annotated Mild COc1ccc2nccc(N3CC[C@H](NCCNCc4cc5c(cn4)OCCO5)C3)c2n1 ZINC000045302740 ID Annotated Anodyne COc1ccc2nccc(N3CC[C@@H](NCCNCc4cc5c(cn4)OCCO5)C3)c2n1 ZINC000045302741 ID Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3snnc3C)CO[C@H]12 ZINC000045324751 ID Annotated Anodyne O=C(CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)N[C@@H](CO)C(=O)OCc1ccccc1 ZINC000045347788 ID Annotated Anodyne O=C(CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)N[C@@H](Cc1ccc(O)cc1)C(=O)O ZINC000045354308 ID Annotated Anodyne O=C(N[C@H]1C=C[C@@H](O)CC1)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000045354782 ID Annotated Anodyne NC1=CC(=O)c2ccc(-c3nc(C(=O)NCCO)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000045355752 ID Annotated Mild O=C(CCc1ccc(O)cc1)C[C@H](CCc1cccc(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000045358504 ID Annotated Anodyne FCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCNCC2)o1 ZINC000045494997 ID Annotated Anodyne CCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2 ZINC000045496463 ID Annotated Mild CN1CC(C)(C)[C@@H](c2cc(N=c3ccnc(N(C)C[C@@H]4CC[C@@H](N)CC4)[nH]3)n[nH]2)C1=O ZINC000473086932 ID Annotated Anodyne CN1CC(C)(C)[C@H](c2cc(N=c3ccnc(N(C)C[C@@H]4CC[C@@H](N)CC4)[nH]3)n[nH]2)C1=O ZINC000473086933 ID Annotated Anodyne N#Cc1cccc(COc2ccc3c(c2)CN2C(=O)CN(C4CCNCC4)C(=O)[C@H]2C3)c1 ZINC000473089357 ID Annotated Mild Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]c23)c(-c2ccncc2)n1 ZINC000473090771 ID Annotated Anodyne O=C(O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c[nH]1)CC2 ZINC000473095720 ID Annotated Anodyne C=CC(=O)Nc1ccc(CN=c2[nH]c(Nc3cnn(CC(=O)NC)c3)ncc2Cl)cc1 ZINC000473096720 ID Annotated Anodyne CCn1cc(C(=O)NNC(=S)Nc2nc3ccccc3[nH]c2=O)c(=O)c2ccc(C)nc21 ZINC000473103955 ID Annotated Reactive C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CC(=O)NC)c3)ncc2Cl)c1 ZINC000473108229 ID Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]c23)c(-c2cncnc2)n1 ZINC000473108541 ID Annotated Anodyne O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O)Nc1ccc(C(=O)NO)cc1 ZINC000473108693 ID Annotated Bother O=C(Nc1ccc(F)cc1)c1cnc(N(Cc2ccc(B(O)O)cn2)Cc2ccco2)nc1 ZINC000473109904 ID Annotated Reactive O=C(NCCCO)[C@@H]1c2c(ccc(Br)c2O)-n2c(=O)c3ccccc3c(=O)n21 ZINC000473113712 ID Annotated Clean O=C(NCCCO)[C@H]1c2c(ccc(Br)c2O)-n2c(=O)c3ccccc3c(=O)n21 ZINC000473113713 ID Annotated Clean O=C1CC[C@@H](Nc2nc(N3CCOCC3)nc(O)c2-c2nc3ccccc3s2)CN1 ZINC000473114700 ID Annotated Anodyne CC(C)[C@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 ZINC000473119877 ID Annotated Anodyne CC(C)[C@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 ZINC000473119878 ID Annotated Anodyne Cc1nn(-c2nc(Nc3ccc4c(c3)c(C#N)nn4C)ncc2F)cc1CN1CC(O)C1 ZINC000473122500 ID Annotated Mild COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)N=c4cnn(C)[nH]4)cc3C2)c1 ZINC000473127243 ID Annotated Anodyne C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(CC)nc3OC)c3ncn(C)c3n2)C[C@H]1F ZINC000473135449 ID Annotated Anodyne CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@H]5O)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1 ZINC000473135477 ID Annotated Anodyne COc1cc(Nc2ncc(F)c(=NCC3CCN(C)CC3)[nH]2)cc(-n2nnnc2C)c1 ZINC000473135908 ID Annotated Anodyne COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CCO)cn4)sc3C2)c1 ZINC000473135933 ID Annotated Anodyne Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cn2)cn1 ZINC000473136146 ID Annotated Anodyne C=CC(C)(C)c1[nH]c2c(C[C@H](O)C(C)(C)O)cccc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000473136274 ID Annotated Mild N=c1ccc(S(=O)(=O)c2cnc(-c3ccc(S(N)(=O)=O)cc3Cl)s2)c[nH]1 ZINC000473137208 ID Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](OC(=O)/C=C(\C)CC)[C@H](O)[C@H]1O ZINC000473145923 ID Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H](OC(=O)/C=C(\C)CC)[C@@H](O)[C@H]1O ZINC000473145935 ID Annotated Anodyne C[S@@](=O)CC[C@H](N)CSSCC1(C(=O)N[C@@H](CC(=O)O)C(=O)O)CCCC1 ZINC000473153677 ID Annotated Reactive C[S@](=O)CC[C@H](N)CSSCC1(C(=O)N[C@@H](CC(=O)O)C(=O)O)CCCC1 ZINC000473153678 ID Annotated Reactive CNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4[nH]c(=N)c(F)cc4F)c3c2C)C1 ZINC000473157244 ID Annotated Anodyne CO[C@@H]1CN(c2ccc(C#C[C@]3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)C[C@H]1O ZINC000473169305 ID Annotated Mild O=C(c1ncccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179567 ID Annotated Anodyne CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C[C@H]2COCCO2)C3=O)C[C@@H]1C ZINC000473214451 ID Annotated Mild CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(C[C@H]2COCCO2)C3=O)C[C@@H]1C ZINC000473214454 ID Annotated Mild CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C[C@@H]2COCCO2)C3=O)C[C@@H]1C ZINC000473214457 ID Annotated Mild Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](C)(O)CO3)no1 ZINC000473244012 ID Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@@H](C(C)(C)O)O3)no1 ZINC000473244985 ID Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@H](C(C)(C)O)O3)no1 ZINC000473244987 ID Annotated Mild COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4nsnc4Cl)C[C@H]3C)nc21 ZINC000473248015 ID Annotated Anodyne CN(C)CC(=O)N1CCC(n2ccc(-c3cnc(N)c(-n4nnc5ccccc54)n3)n2)CC1 ZINC000474609853 ID Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@@]3(O)C=C(CO)[C@]12O ZINC000049013693 ID Annotated Anodyne NC(=O)N/N=C/c1c(Cl)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000049020889 ID Annotated Reactive CC(=O)N/N=C/c1c(Cl)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000049021314 ID Annotated Reactive N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000049021454 ID Annotated Mild Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000049036625 ID Annotated Bother OCc1cc(CO)cc(-[n+]2ccc(-c3cc[n+](-c4cc(CO)cc(CO)c4)cc3)cc2)c1 ZINC000049046589 ID Annotated Anodyne CCOc1ccccc1-c1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000049055176 ID Annotated Anodyne C[S@@](=O)CCNC(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049066482 ID Annotated Anodyne C[S@](=O)CCNC(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049066484 ID Annotated Anodyne N=c1oc2c(O)cccc2cc1C(=O)NCCNC(=O)c1cc2cccc(O)c2oc1=N ZINC000049070167 ID Annotated Anodyne COCCOCCOCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1 ZINC000049072072 ID Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@]23O)c(O)c1 ZINC000049089490 ID Annotated Anodyne Cc1cc(CN2CCN(c3c(Cl)cnc4nc(N5CCN(C)CC5)[nH]c34)CC2)no1 ZINC000049109517 ID Annotated Anodyne COc1ccccc1-c1cc(O)nn1-c1ccc(C(=O)NNC(=O)CO[N+](=O)[O-])cc1 ZINC000049109887 ID Annotated Reactive CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)NC ZINC000049115431 ID Annotated Anodyne CNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)NC ZINC000049115435 ID Annotated Anodyne CS[C@]1(COC(C)=O)C(=O)N2[C@H]3C(=CC=C[C@@H]3OC(C)=O)C[C@@]2(SC)C(=O)N1C ZINC000049125215 ID Annotated Anodyne CCSc1c(O)c2c(c(O)c1OC)[C@H](CO)N1[C@@H](C2)[C@H]2[C@H](C(=O)O)C[C@@H]([C@@H]1C#N)N2C ZINC000049735170 ID Annotated Mild CCSc1c(O)c2c(c(O)c1OC)[C@H](CO)N1[C@H](C#N)[C@@H]3C[C@@H](C(=O)O)[C@H]([C@@H]1C2)N3C ZINC000049735171 ID Annotated Mild O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)C(=O)N1CCNCC1 ZINC000049746492 ID Annotated Reactive CN(C)c1ccc2c(CC(=O)OCC[C@@H]3[C@@H](CO)O[C@@H]4OC(=O)C[C@H]34)cc(=O)oc2c1 ZINC000049756040 ID Annotated Anodyne CC(C)(N)CNC(=O)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049757134 ID Annotated Reactive O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)C(=O)NC1CCNCC1 ZINC000049763133 ID Annotated Reactive Cc1nc(NCCN2CCOCC2)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 ZINC000049772269 ID Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCS(N)(=O)=O ZINC000049781439 ID Annotated Mild COc1ccc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)cc1OC ZINC000049784557 ID Annotated Anodyne COc1cc(C(=O)OCCN(CCO)CCOC(=O)c2ccc(O)c(OC)c2)ccc1O ZINC000049808362 ID Annotated Anodyne Cc1cc2c(cc1Cl)SC(NNc1ccncc1S(N)(=O)=O)=NS2(=O)=O ZINC000049808662 ID Annotated Anodyne COc1ccc(S(=O)(=O)n2c(N)nc3c2c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1 ZINC000000598286 ID Annotated Anodyne CN(CCN1CCn2c1nc1ccccc12)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000000604417 ID Annotated Anodyne Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000605562 ID Annotated Anodyne CN1C(=O)C([C@@H]2c3c(n(C)c(=O)n(C)c3=O)Oc3ccc4ccccc4c32)C(=O)N(C)C1=O ZINC000000753080 ID Annotated Anodyne COc1nc(CC(=O)C2CC2)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2Cl)n1 ZINC000000754148 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)[C@@H](C(C)C)C(=O)N2 ZINC000000756157 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)[C@H](C(C)C)C(=O)N2 ZINC000000756158 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)[C@@H](C(C)C)C(=O)N2 ZINC000000756159 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)[C@H](C(C)C)C(=O)N2 ZINC000000756160 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)CC(=O)N2 ZINC000000756185 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)CC(=O)N2 ZINC000000756186 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)CC(=O)N2 ZINC000000756187 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)CC(=O)N2 ZINC000000756188 ID Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000763355 ID Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000763356 ID Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000763357 ID Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000763358 ID Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@H](C(=O)N(CC)CC)C3)ccc2[nH]c1=O ZINC000000766801 ID Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@@H](C(=O)N(CC)CC)C3)ccc2[nH]c1=O ZINC000000766802 ID Annotated Anodyne C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777304 ID Annotated Anodyne C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777305 ID Annotated Anodyne C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777306 ID Annotated Anodyne C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777307 ID Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000777316 ID Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000777317 ID Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000777318 ID Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000777319 ID Annotated Anodyne C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000000777361 ID Annotated Anodyne O=C1CN([C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)C(=O)c2ccccc2N1 ZINC000000777377 ID Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000777400 ID Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000000785445 ID Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786755 ID Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786758 ID Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C(C)C)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000000786781 ID Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C(C)C)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000000786782 ID Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C(C)C)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000000786784 ID Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C(C)C)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000000786787 ID Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)C2=O ZINC000000786830 ID Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)C2=O ZINC000000786832 ID Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000000786833 ID Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000000786835 ID Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000000787008 ID Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000000787010 ID Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000000787116 ID Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000000787118 ID Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000000787119 ID Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000000787121 ID Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000000787394 ID Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000000787397 ID Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000000787398 ID Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000000787401 ID Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccco2)C1 ZINC000000788467 ID Annotated Anodyne CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)OC ZINC000005004093 ID Annotated Clean CC[C@@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)OC ZINC000005004096 ID Annotated Clean CC(=O)O[C@@H]1[C@@H](O)C2=C3[C@@]4(C)[C@H](CC(=O)C(C)(C)[C@H]14)[C@]3(O)[C@H](OC(C)=O)[C@@]1(C[C@@H]1C)C2=O ZINC000005370851 ID Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H](OC(C)=O)C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000005487995 ID Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@](C)([C@@]2(COC(=O)CCl)CC1)[C@@]31CO1 ZINC000005493163 ID Annotated Reactive CO[C@@]12[C@@H](COC(N)=O)c3c(O)c(N=C4C=CC(=N)C=C4)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000053074420 ID Annotated Mild CO[C@]12[C@@H](COC(N)=O)c3c(O)c(N=C4C=CC(=N)C=C4)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000053074423 ID Annotated Mild CO[C@@]12[C@@H](COC(N)=O)c3c(O)c(N=C4C=CC(=O)C=C4)c(C)c(O)c3N1C[C@@H]1[C@H]2N1C ZINC000053132194 ID Annotated Mild CO[C@]12[C@@H](COC(N)=O)c3c(O)c(N=C4C=CC(=O)C=C4)c(C)c(O)c3N1C[C@@H]1[C@H]2N1C ZINC000053132198 ID Annotated Mild COc1cccc(N=c2c(C(N)=O)c[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 ZINC000053133195 ID Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H](C2C(N)=NN=C2N)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000053133452 ID Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@H](C2C(N)=NN=C2N)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000053133453 ID Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)c3c(O)c(/N=C4\C=CC(=O)C=C4C)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000053271017 ID Annotated Mild CO[C@]12[C@@H](COC(N)=O)c3c(O)c(/N=C4\C=CC(=O)C=C4C)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000053271021 ID Annotated Mild CO[C@@]12[C@@H](COC(N)=O)c3c(O)c(N=C4C=CC(=S)C=C4)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000053271051 ID Annotated Mild CO[C@]12[C@@H](COC(N)=O)c3c(O)c(N=C4C=CC(=S)C=C4)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000053271055 ID Annotated Mild O=C(O)CNC(=O)COc1ccccc1/N=N/c1ccccc1OCC(=O)NCC(=O)O ZINC000053293371 ID Annotated Clean CCN1CCN(CC2(CN3CCN(CC)CC3)Oc3cc(OC)cc(OC)c3C2=O)CC1 ZINC000053295641 ID Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N[C@@H](C1CCCC1)N2 ZINC000053683061 ID Annotated Anodyne in-vivo CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@H](=O)O ZINC000053683128 ID Annotated Anodyne in-vivo CC(=O)O[C@@H]1CO[C@H](n2c(N)c(C#N)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005540555 ID Annotated Anodyne CC(=O)O[C@@H]1[C@@H](n2c(N)c(C#N)c(C)c(C#N)c2=S)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005540562 ID Annotated Mild C[C@@H](CCc1ccccc1)NC[C@H](O)n1c(/N=N/N(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000005542752 ID Annotated Clean C[C@H](CCc1ccccc1)NC[C@H](O)n1c(/N=N/N(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000005542754 ID Annotated Clean C[C@H](CCc1ccccc1)NC[C@@H](O)n1c(/N=N/N(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000005542759 ID Annotated Clean CC(C)(CO)NCCNc1ccc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O ZINC000005545065 ID Annotated Clean O=C1c2ccccc2C(=O)c2c(NCCN3CCOCC3)ccc(NCCNCCO)c21 ZINC000005545072 ID Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OCCN ZINC000005573006 ID Annotated Clean CN(C)CCNC(=O)c1cccc2c(N[C@H](CS)C(=O)O)c3ccccc3[n+](C)c12 ZINC000005579275 ID Annotated Mild N#Cc1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000005581130 ID Annotated Mild CN(C)CCN(C)c1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23 ZINC000005581958 ID Annotated Bother CCOC(=O)Nc1cc(N[C@H](/C=N/NC(C)=O)C(=O)OCC)c(OC)cc1NC(C)=O ZINC000005582187 ID Annotated Reactive CCOC(=O)Nc1cc(N[C@@H](/C=N/NC(C)=O)C(=O)OCC)c(OC)cc1NC(C)=O ZINC000005582191 ID Annotated Reactive O=c1[nH]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])cc1 ZINC000005596844 ID Annotated Bother O=C1Nc2ccccc2/C1=c1\[nH]c(=O)/c(=C\c2ccc(OCc3ccccc3)cn2)[nH]c1=O ZINC000005596848 ID Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@](C)([C@@]2(COC(=O)CCl)CC1)[C@@]31CO1 ZINC000005639619 ID Annotated Reactive C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000005641645 ID Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N[C@@H]1CC=CC[C@H]1NC(=O)CNC(=O)OC(C)(C)C ZINC000005714113 ID Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N[C@H]1CC=CC[C@@H]1NC(=O)CNC(=O)OC(C)(C)C ZINC000005714130 ID Annotated Anodyne CCOC(=O)[C@@H]1C=C2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]2[C@H]2C(=O)C=CC(=O)[C@@]12C(=O)OC ZINC000005723077 ID Annotated Mild CCOC(=O)[C@@H]1C=C2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]2[C@H]2C(=O)C=CC(=O)[C@@]12C(=O)OC ZINC000005723078 ID Annotated Mild COC(=O)[C@@]12C(=O)C=CC(=O)[C@@H]1[C@H]1C(=C[C@H]2COC(C)=O)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000005723079 ID Annotated Mild COC(=O)[C@@]12C(=O)C=CC(=O)[C@@H]1[C@@H]1C(=C[C@H]2COC(C)=O)O[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000005723080 ID Annotated Mild CCOC(=O)[C@@H]1C=C2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]2[C@H]2C(=O)CCC(=O)[C@@]12C(=O)OC ZINC000005723081 ID Annotated Anodyne CCOC(=O)[C@@H]1C=C2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]2[C@H]2C(=O)CCC(=O)[C@@]12C(=O)OC ZINC000005723082 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000005768349 ID Annotated Anodyne in-vitro biogenic COC(=O)[C@@H](CSSC[C@H](N/C(C)=C/C(C)=O)C(=O)OC)N/C(C)=C/C(C)=O ZINC000005801190 ID Annotated Reactive Nc1c(-c2ccc(-c3c(N)[n+]([O-])c4ccccc4[n+]3[O-])cc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000005810946 ID Annotated Anodyne Nc1c(-c2ccccc2-c2c(N)[n+]([O-])c3ccccc3[n+]2[O-])[n+]([O-])c2ccccc2[n+]1[O-] ZINC000005810948 ID Annotated Anodyne CC(C)(C)N/N=C(\C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@@H]1C=CCS1(=O)=O ZINC000005837208 ID Annotated Mild CC(C)(C)N/N=C(\C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@H]1C=CCS1(=O)=O ZINC000005837213 ID Annotated Mild C(=NNC1=NCCCN1)c1ccc(-c2cn3cc(C=NNC4=NCCCN4)ccc3n2)cc1 ZINC000005843763 ID Annotated Anodyne C/C(=N/NC(=S)N1CCN(C(=S)N/N=C(/C)c2ccccn2)CC1)c1ccccn1 ZINC000005850291 ID Annotated Mild CC(C)(CNC(=O)/C(Cl)=C(/Cl)C(=O)O)CNC(=O)/C(Cl)=C(/Cl)C(=O)O ZINC000005922295 ID Annotated Anodyne COC(=O)[C@@]12O[C@@](C)([C@H](CC(=O)OC(C)(C)C)C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000005924375 ID Annotated Anodyne COC(=O)[C@]12O[C@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)[C@@H](CC(=O)OC(C)(C)C)C2=O ZINC000005924379 ID Annotated Anodyne N=C(NO)N/N=C/c1cc(I)cc(I)c1O ZINC000005941446 ID Annotated Mild O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCN1CCCCC1=O ZINC000055042521 ID Annotated Anodyne O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCN1CCCCC1=O ZINC000055042522 ID Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](NC(=O)c3cccnc3)C[C@@H]2C(=O)NO)cc1OC ZINC000056822799 ID Annotated Bother COc1cc2c(cc1OC(=O)C[C@@H](C)O)[C@@H]1[C@H](OC2=O)[C@@H](OC(C)=O)C=C2CCN(C)[C@H]21 ZINC000056871391 ID Annotated Anodyne in-vitro CCN1CCN(C(=O)C2=CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000058064949 ID Annotated Anodyne CCCN[C@@H]1COCCN1c1nc(NNC(=O)c2ccncc2)nc(Nc2ccccc2)n1 ZINC000058487318 ID Annotated Reactive NN(C(=O)c1ccncc1)c1nc(Nc2ccccc2)nc(N(N)C(=O)c2ccncc2)n1 ZINC000058494430 ID Annotated Reactive CSc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F ZINC000584905511 ID Annotated Mild CSCO[C@@]1(C)CO[C@@](C)(CC(=O)NC[C@@H]2C=C[C@@H](n3cc(C)c(=O)[nH]c3=O)O2)C1 ZINC000058500238 ID Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(N=C4C=CC(=N)C=C4)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000058500353 ID Annotated Anodyne NCc1cccc([C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]2N)c1 ZINC000058504436 ID Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000058533718 ID Annotated Anodyne C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=NCCS(=O)(=O)[C@H]1C3=O ZINC000058554843 ID Annotated Clean O=c1oc2cc(O)c(O)cc2c2c1[nH]c1c(=O)oc3cc(O)c(OS(=O)(=O)O)cc3c12 ZINC000058568450 ID Annotated Clean Cn1cc(Br)c(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1 ZINC000058569228 ID Annotated Anodyne C[C@H]1COC(=O)[C@@H](N)CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000058575217 ID Annotated Anodyne C#CCN1C(=O)[C@]2(c3ccccc31)N(C)C[C@H](c1ccccc1O)[C@]21CC(=O)N(C)C1=O ZINC000058576144 ID Annotated Mild CCCCCCCCO[C@H]1O[C@@H]2COC(=O)CC[C@H]3O[C@@H]3CCC(=O)O[C@H]2[C@H](O)[C@H]1O ZINC000058576326 ID Annotated Mild Cc1cc2ncn(CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C)c2cc1C ZINC000058582568 ID Annotated Mild Cc1cc2nc(C)n(CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C)c2cc1C ZINC000058582576 ID Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@]1(C)CN ZINC000058592364 ID Annotated Mild CCCN1C(=O)[C@@H]2N[C@H](C3CCCC3)N[C@H]2N(CCCOC(=O)CBr)C1=O ZINC000058608994 ID Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000058640586 ID Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@H](c1cccnc1)N(C)[C@H]2c1cccnc1 ZINC000058655335 ID Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](O)[C@H](O)CO)[nH]c2c1 ZINC000586887815 ID Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](O)[C@@H](O)CO)[nH]c2c1 ZINC000586887824 ID Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](O)[C@H](O)CO)[nH]c2c1 ZINC000586887826 ID Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](O)[C@@H](O)CO)[nH]c2c1 ZINC000586887828 ID Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586888889 ID Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586888907 ID Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586888908 ID Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586888909 ID Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCO)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586894401 ID Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)CP(=O)(O)O)[nH]c2c1 ZINC000586920550 ID Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)CP(=O)(O)O)[nH]c3c2)cc1 ZINC000586920801 ID Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2c1 ZINC000586921636 ID Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)o1 ZINC000586922679 ID Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 ZINC000586922968 ID Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)o1 ZINC000586923261 ID Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 ZINC000586923275 ID Annotated Anodyne COc1cc(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924319 ID Annotated Unstable O=C(c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586925185 ID Annotated Anodyne O=C(c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586925186 ID Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925732 ID Annotated Bother COc1cc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925804 ID Annotated Unstable CN(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)S(=O)(=O)c1cccnc1 ZINC000586928469 ID Annotated Anodyne CN(Cc1nc2cc(I)cnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928507 ID Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586928884 ID Annotated Mild CN(C)S(=O)(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586929718 ID Annotated Mild CC1=C(c2ccc3nc(COc4ccc(S(N)(=O)=O)cc4C)[nH]c3c2)NNC(=O)C1 ZINC000586930570 ID Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586931473 ID Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586931490 ID Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000586931978 ID Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCS(=O)(=O)N(C)C)[nH]c3c2)cc1 ZINC000586932036 ID Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ncc[nH]c-4n3)cccc12 ZINC000586934196 ID Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ncc[nH]c-4n3)cccc12 ZINC000586934197 ID Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cncnc4[nH]3)cccc12 ZINC000586934318 ID Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cncnc4[nH]3)cccc12 ZINC000586934319 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(N)ncc2[nH]1 ZINC000586934497 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(N)ncc2[nH]1 ZINC000586934498 ID Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cnncc4[nH]3)cccc12 ZINC000586934618 ID Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cnncc4[nH]3)cccc12 ZINC000586934619 ID Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586934676 ID Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586934697 ID Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586934898 ID Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000586935238 ID Annotated Mild NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586935518 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnncc2[nH]1 ZINC000586935814 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnncc2[nH]1 ZINC000586935815 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000586935851 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000586935853 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586935883 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586935886 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(N)c2[nH]1 ZINC000586935926 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(N)c2[nH]1 ZINC000586935928 ID Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586936033 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H](C)O)cc1 ZINC000586936076 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H](C)O)cc1 ZINC000586936080 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H](C)O)cc1 ZINC000586936082 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H](C)O)cc1 ZINC000586936084 ID Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586936128 ID Annotated Mild CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000586936423 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000586936426 ID Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586936583 ID Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586936707 ID Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586936731 ID Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586936735 ID Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586936770 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586936986 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586936991 ID Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000586937172 ID Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c1 ZINC000586937197 ID Annotated Mild NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000586937312 ID Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586937351 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncnc2[nH]1 ZINC000586937553 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncnc2[nH]1 ZINC000586937554 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586937574 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586937576 ID Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586937580 ID Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586937582 ID Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586938099 ID Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586938107 ID Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(I)cc2[nH]1 ZINC000586938137 ID Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(I)cc2[nH]1 ZINC000586938139 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H](C)O)cc1 ZINC000586938358 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H](C)O)cc1 ZINC000586938359 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H](C)O)cc1 ZINC000586938360 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H](C)O)cc1 ZINC000586938361 ID Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ncc[nH]c-2n1 ZINC000586939094 ID Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ncc[nH]c-2n1 ZINC000586939097 ID Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(I)c2[nH]1 ZINC000586939411 ID Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(I)c2[nH]1 ZINC000586939412 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586939561 ID Annotated Anodyne Cc1ccc2c(ccc3nc(CNC(=O)CNS(=O)(=O)c4ccc(C#N)cc4)[nH]c32)n1 ZINC000586939572 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586939594 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586939616 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000586939624 ID Annotated Mild CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586939876 ID Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586939877 ID Annotated Anodyne Cc1cc2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc2cc1[N+](=O)[O-] ZINC000586940094 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586940096 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586940115 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586940125 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586940166 ID Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586940209 ID Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586940210 ID Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(I)cnc2[nH]1 ZINC000586940211 ID Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(I)cnc2[nH]1 ZINC000586940212 ID Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586940233 ID Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586940234 ID Annotated Anodyne COc1cc(OC)c2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586940346 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586940364 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586940394 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586940413 ID Annotated Mild CC(C)Oc1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586940420 ID Annotated Mild COc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1OC ZINC000586940421 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586940448 ID Annotated Mild COc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Cl ZINC000586940455 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586940464 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586940471 ID Annotated Mild Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586940473 ID Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000586940492 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586940500 ID Annotated Mild CC(C)(C)c1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2n1 ZINC000586940528 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586940538 ID Annotated Mild CCOC(=O)c1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586940548 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586940603 ID Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586940613 ID Annotated Mild COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc12 ZINC000586940854 ID Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1[N+](=O)[O-] ZINC000586940888 ID Annotated Bother O=S(=O)(O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941078 ID Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(O)nc(S)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586941087 ID Annotated Bother COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000586941121 ID Annotated Bother CCOC(=O)Cc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941224 ID Annotated Anodyne COC(=O)c1cc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1OC ZINC000586941225 ID Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)nc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941247 ID Annotated Anodyne O=S(=O)(NCc1nc2ccnc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941252 ID Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941253 ID Annotated Anodyne COC(=O)c1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cn1 ZINC000586941322 ID Annotated Bother NNC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586941534 ID Annotated Reactive O=S(=O)(NCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)s1 ZINC000586941589 ID Annotated Anodyne O=S(=O)(NCc1nc2c(Br)ccnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941598 ID Annotated Anodyne O=S(=O)(NCc1nc2cncc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941672 ID Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586941741 ID Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941789 ID Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586942048 ID Annotated Reactive CN1CCN(c2ccc3nc(CNS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3c2)CC1 ZINC000586942091 ID Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586942206 ID Annotated Anodyne CN(C)CCOc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586942213 ID Annotated Anodyne CC1=C(c2ccc3nc(CCNS(=O)(=O)c4ccc(Cl)nc4)[nH]c3c2)NNC(=O)C1 ZINC000586942244 ID Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1OC ZINC000586942260 ID Annotated Anodyne O=S(=O)(NCc1nc2nc(Br)c[nH]c-2n1)c1ccc2c(c1)OCCO2 ZINC000586942292 ID Annotated Anodyne O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1[N+](=O)[O-] ZINC000586942445 ID Annotated Bother O=S(=O)(NCc1nc2cc(Br)ncc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942556 ID Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586942622 ID Annotated Anodyne O=S(=O)(NCCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942821 ID Annotated Anodyne NNC(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586942824 ID Annotated Reactive CN(C)S(=O)(=O)c1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942876 ID Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586943030 ID Annotated Anodyne O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1[N+](=O)[O-] ZINC000586943179 ID Annotated Bother CNS(=O)(=O)NCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586943413 ID Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc12 ZINC000586943618 ID Annotated Anodyne Nc1nccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586943639 ID Annotated Anodyne Nc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cn1 ZINC000586943693 ID Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cncnc3[nH]2)c1 ZINC000586943875 ID Annotated Anodyne N=c1[nH]cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc-2[nH]1 ZINC000586944156 ID Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(O)nc(N)nc4[nH]3)cc2)cc1 ZINC000586944167 ID Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cnncc3[nH]2)c1 ZINC000586944377 ID Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000586944786 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586945697 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586945699 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586946195 ID Annotated Reactive Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586946197 ID Annotated Reactive Nc1nc(O)c2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2n1 ZINC000586950570 ID Annotated Anodyne N#Cc1nc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2nc1C#N ZINC000586950710 ID Annotated Mild O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586950749 ID Annotated Anodyne Nc1nc(O)c2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2n1 ZINC000586951448 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586952467 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cnnc(O)c3[nH]2)cc1 ZINC000586952994 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(N)ncnc3[nH]2)cc1 ZINC000586953615 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586953734 ID Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586954620 ID Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1OC ZINC000586954695 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cncc(Cl)c4[nH]3)CC2)CC1 ZINC000586954849 ID Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2cc1OC ZINC000586954868 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(Cl)ncc4[nH]3)CC2)CC1 ZINC000586954874 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c(Cl)ccnc4[nH]3)CC2)CC1 ZINC000586954926 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(Cl)cnc4[nH]3)CC2)CC1 ZINC000586954928 ID Annotated Anodyne COc1cncc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586954930 ID Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 ZINC000586954933 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4nc(Cl)c[nH]c-4n3)CC2)CC1 ZINC000586954971 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc5cn[nH]c5cc4[nH]3)CC2)CC1 ZINC000586955047 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(Cl)nc4[nH]3)CC2)CC1 ZINC000586955048 ID Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 ZINC000586955131 ID Annotated Anodyne COc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2n1 ZINC000586955336 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc5c(cc4[nH]3)OCO5)CC2)CC1 ZINC000586955369 ID Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CC1 ZINC000586955429 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cccc(C#N)c4[nH]3)CC2)CC1 ZINC000586955673 ID Annotated Mild CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2N)C1 ZINC000586955738 ID Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586955741 ID Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c2c1 ZINC000586955777 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c(Cl)ncnc4[nH]3)CC2)CC1 ZINC000586955781 ID Annotated Anodyne COc1cccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586955782 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccnc(Cl)c4[nH]3)CC2)CC1 ZINC000586955868 ID Annotated Anodyne COc1nccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586955898 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(CCO)cc4[nH]3)CC2)CC1 ZINC000586955970 ID Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2N)C1 ZINC000586956017 ID Annotated Bother CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(CO)cc4[nH]3)CC2)CC1 ZINC000586956037 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cnc(Cl)[nH]c-4n3)CC2)CC1 ZINC000586956091 ID Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c2c1 ZINC000586956123 ID Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(N)c(N)cc4[nH]3)CC2)CC1 ZINC000586956184 ID Annotated Anodyne COc1cc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2cn1 ZINC000586956185 ID Annotated Anodyne Cc1cc2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc2c(C)n1 ZINC000586956186 ID Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)OCO4)cc1S(=O)(=O)N1CCOCC1 ZINC000586956610 ID Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1S(=O)(=O)N1CCOCC1 ZINC000586956651 ID Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586956700 ID Annotated Anodyne COc1ccc(Cc2nc3ccc(CCO)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956737 ID Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2cn1 ZINC000586956818 ID Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)nc12 ZINC000586956931 ID Annotated Anodyne COc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956934 ID Annotated Bother COc1ccc(Cc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956963 ID Annotated Mild COC(=O)c1ccc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2n1 ZINC000586956978 ID Annotated Anodyne COC(=O)c1cccc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c12 ZINC000586957054 ID Annotated Anodyne COc1ccc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957213 ID Annotated Anodyne COc1ccc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957214 ID Annotated Anodyne COc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957221 ID Annotated Bother COc1ccc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957245 ID Annotated Anodyne COc1ccc(Cc2nc3cccc(C(=O)O)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957359 ID Annotated Anodyne Nc1nccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586957506 ID Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000586957617 ID Annotated Mild CC1=C(c2ccc3nc([C@@](C)(N)c4ccc(S(=O)(=O)O)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586957810 ID Annotated Anodyne CC1=C(c2ccc3nc([C@](C)(N)c4ccc(S(=O)(=O)O)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586957815 ID Annotated Anodyne COC(=O)c1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2n1 ZINC000586957906 ID Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586958277 ID Annotated Mild COC(=O)c1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cn1 ZINC000586958322 ID Annotated Mild COC(=O)c1ccnc2[nH]c(COCCOCCOS(=O)(=O)c3ccc(C)cc3)nc12 ZINC000586958633 ID Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586958825 ID Annotated Mild Nc1ccnc2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc12 ZINC000586958866 ID Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000586959539 ID Annotated Reactive Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000586959586 ID Annotated Mild C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586960401 ID Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586960404 ID Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4c(O)ncnc4[nH]3)c2c1)N1CCOCC1 ZINC000586960745 ID Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cnnc(O)c4[nH]3)c2c1)N1CCOCC1 ZINC000586961148 ID Annotated Anodyne COc1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2cn1 ZINC000586962328 ID Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccnc(O)c4[nH]3)c2c1)N1CCOCC1 ZINC000586962359 ID Annotated Anodyne COc1nccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586962523 ID Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586962622 ID Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586962623 ID Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586965083 ID Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586965689 ID Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)n1 ZINC000586966703 ID Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)n1 ZINC000586967283 ID Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586967862 ID Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586968466 ID Annotated Anodyne Nc1nc(O)c2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2n1 ZINC000586977783 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989146 ID Annotated Anodyne O=C1c2ccccc2-c2cc(-c3nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]3)nc3ccc(O)c1c23 ZINC000586990463 ID Annotated Anodyne NNC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587001381 ID Annotated Reactive Cn1cc(-c2ncc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)s2)cn1 ZINC000587022024 ID Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587025565 ID Annotated Anodyne O=C(c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587025610 ID Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C1=O ZINC000587039814 ID Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C1=O ZINC000587039839 ID Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C1=O ZINC000587042148 ID Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C1=O ZINC000587042157 ID Annotated Mild N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cncnc2[nH]1 ZINC000587045745 ID Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cnccc2[nH]1 ZINC000587045780 ID Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ncc[nH]c-2n1 ZINC000587045804 ID Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cccnc2[nH]1 ZINC000587046060 ID Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cnncc2[nH]1 ZINC000587046167 ID Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587052342 ID Annotated Anodyne Cc1onc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079660 ID Annotated Bother Cc1onc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079691 ID Annotated Bother C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587095162 ID Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587095164 ID Annotated Anodyne Cc1ccc2c3c(cc(-c4nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]4)nc13)-c1ccccc1C2=O ZINC000587096368 ID Annotated Anodyne O=C(c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587119502 ID Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587127722 ID Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587127821 ID Annotated Anodyne O=C(c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587127889 ID Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587128634 ID Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1)N1CCOCC1 ZINC000587128783 ID Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(O)nc(O)nc5[nH]4)nc3n2)cn1 ZINC000587128976 ID Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(N)ncnc5[nH]4)nc3n2)cn1 ZINC000587130386 ID Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(O)nc(N)nc5[nH]4)nc3n2)cn1 ZINC000587130698 ID Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c[nH]c(=N)[nH]c-5n4)nc3n2)cn1 ZINC000587130999 ID Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587135823 ID Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cncnc3[nH]2)c1F)N1CCOCC1 ZINC000587139358 ID Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ncc[nH]c-3n2)c1F)N1CCOCC1 ZINC000587139670 ID Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cnncc3[nH]2)c1F)N1CCOCC1 ZINC000587139842 ID Annotated Anodyne O=C(c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587150130 ID Annotated Bother O=C(c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1)N1CCN(CCO)CC1 ZINC000587159526 ID Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587170806 ID Annotated Anodyne O=C(c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587170831 ID Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587179772 ID Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 ZINC000587179776 ID Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2n1 ZINC000587179835 ID Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc([C@H](N)N=O)ccc2[nH]1 ZINC000587180115 ID Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 ZINC000587180116 ID Annotated Anodyne COC(=O)c1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cn1 ZINC000587180322 ID Annotated Anodyne Cn1nc(-c2nc3nc(Br)c[nH]c-3n2)c(I)c1C(=O)O ZINC000587180375 ID Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc12 ZINC000587180692 ID Annotated Anodyne Cn1nc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(I)c1C(=O)O ZINC000587180725 ID Annotated Anodyne Cn1nc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(I)c1C(=O)O ZINC000587180727 ID Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000587180989 ID Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587181242 ID Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(I)c1C(=O)O ZINC000587181409 ID Annotated Anodyne COC(=O)c1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2n1 ZINC000587181473 ID Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cn1 ZINC000587181493 ID Annotated Anodyne Cn1nc(-c2nc3c(S)nc(S)nc3[nH]2)c(I)c1C(=O)O ZINC000587181536 ID Annotated Anodyne Cn1nc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(I)c1C(=O)O ZINC000587181577 ID Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 ZINC000587181618 ID Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587181803 ID Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587181804 ID Annotated Anodyne O=C1COc2cc3[nH]c(-c4nc(O)nc(O)c4I)nc3cc2N1 ZINC000587181852 ID Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587182142 ID Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587182143 ID Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1[N+](=O)[O-] ZINC000587182250 ID Annotated Bother COC(=O)c1cc2[nH]c(-c3nc(O)nc(O)c3I)nc2cc1OC ZINC000587182553 ID Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3nc(Br)c[nH]c-3n2)n1 ZINC000587182561 ID Annotated Anodyne COC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1OC ZINC000587183121 ID Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587183457 ID Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nc(Br)c[nH]c-3n2)n1 ZINC000587184261 ID Annotated Anodyne O=C(O)c1nn(Cc2nc3c(S)nc(S)nc3[nH]2)cc1I ZINC000587184504 ID Annotated Anodyne COC(=O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2n1 ZINC000587184535 ID Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2n1 ZINC000587184556 ID Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n1 ZINC000587184569 ID Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1I ZINC000587184585 ID Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587184856 ID Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587184859 ID Annotated Anodyne O=C(O)c1nn(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1I ZINC000587184860 ID Annotated Anodyne O=C(O)c1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1F ZINC000587184907 ID Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n1 ZINC000587184924 ID Annotated Anodyne O=C1CCc2cc3nc(Cn4cc(I)c(C(=O)O)n4)[nH]c3cc2N1 ZINC000587184970 ID Annotated Anodyne COC(=O)c1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cn1 ZINC000587185002 ID Annotated Anodyne N[C@H](N=O)c1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2c1 ZINC000587185050 ID Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2c1 ZINC000587185053 ID Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587185265 ID Annotated Anodyne COC(=O)c1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cn1 ZINC000587185271 ID Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc12 ZINC000587185281 ID Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)n1 ZINC000587185289 ID Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)n1 ZINC000587185332 ID Annotated Anodyne O=C(O)c1nn(Cc2nc3nc(Br)c[nH]c-3n2)cc1I ZINC000587185678 ID Annotated Anodyne COC(=O)c1cccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587185682 ID Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000587185814 ID Annotated Anodyne O=C1COc2cc3[nH]c(Cn4cc(I)c(C(=O)O)n4)nc3cc2N1 ZINC000587185844 ID Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)n1 ZINC000587185895 ID Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1I ZINC000587185918 ID Annotated Anodyne O=C(O)c1nn(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1I ZINC000587185951 ID Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587185986 ID Annotated Anodyne COC(=O)c1ccnc2nc(-c3nn(CC(=O)O)cc3I)[nH]c12 ZINC000587186181 ID Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000587186204 ID Annotated Anodyne COC(=O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587186396 ID Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1I ZINC000587186425 ID Annotated Anodyne CC(=O)[C@](O)(C(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@](O)(C(C)=O)[C@@H](C)O ZINC000587207320 ID Annotated Anodyne CC(=O)C(=O)[C@@](O)(c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@](O)(C(C)=O)[C@@H](C)O ZINC000587207625 ID Annotated Clean CC(=O)C(=O)[C@@](O)(C(C)=O)[C@@](O)(c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)[C@@H](C)O ZINC000587207847 ID Annotated Clean N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587217113 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587217121 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587217123 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587217125 ID Annotated Anodyne N#Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1C(F)(F)F ZINC000587217207 ID Annotated Mild N#Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1C(F)(F)F ZINC000587217220 ID Annotated Mild N#Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1C(F)(F)F ZINC000587217222 ID Annotated Mild N#Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1C(F)(F)F ZINC000587217226 ID Annotated Mild N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587217620 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587217621 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587217622 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587217623 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587217982 ID Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587217983 ID Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587217984 ID Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587217985 ID Annotated Bother Nc1ccc(Oc2ccc3nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c3c2)cc1 ZINC000587218064 ID Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c3c2)cc1 ZINC000587218078 ID Annotated Clean Nc1ccc(Oc2ccc3nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c3c2)cc1 ZINC000587218080 ID Annotated Clean Nc1ccc(Oc2ccc3nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c3c2)cc1 ZINC000587218082 ID Annotated Clean N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587218107 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587218108 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587218109 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587218110 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587218396 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587218398 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587218400 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587218402 ID Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587218444 ID Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587218446 ID Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587218447 ID Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587218448 ID Annotated Mild N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587218514 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587218515 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587218516 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587218517 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587218748 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587218750 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587218752 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587218754 ID Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587219018 ID Annotated Anodyne Cc1cc(Br)cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587219023 ID Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587219024 ID Annotated Anodyne Cc1cc(Br)cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587219026 ID Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587219258 ID Annotated Anodyne Cc1c(Br)ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587219261 ID Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587219263 ID Annotated Anodyne Cc1c(Br)ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587219264 ID Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587219369 ID Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587219370 ID Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587219371 ID Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587219374 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587219773 ID Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587219776 ID Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587219777 ID Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587219780 ID Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)O ZINC000587220177 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)O ZINC000587220181 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)O ZINC000587220182 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)O ZINC000587220183 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)O ZINC000587220299 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)O ZINC000587220302 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)O ZINC000587220304 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)O ZINC000587220306 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)O ZINC000587220732 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)O ZINC000587220734 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)O ZINC000587220735 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)O ZINC000587220736 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587220856 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587220857 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587220858 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587220859 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)O ZINC000587221065 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)O ZINC000587221066 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)O ZINC000587221070 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)O ZINC000587221073 ID Annotated Anodyne Cc1c(Br)cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1C ZINC000587221159 ID Annotated Anodyne Cc1c(Br)cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1C ZINC000587221167 ID Annotated Anodyne Cc1c(Br)cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1C ZINC000587221168 ID Annotated Anodyne Cc1c(Br)cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1C ZINC000587221171 ID Annotated Anodyne Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1Br ZINC000587221584 ID Annotated Anodyne Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1Br ZINC000587221585 ID Annotated Anodyne Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1Br ZINC000587221586 ID Annotated Anodyne Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1Br ZINC000587221587 ID Annotated Anodyne Cc1c(Br)cc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2c1C ZINC000587221598 ID Annotated Anodyne Cc1c(Br)cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2c1C ZINC000587221599 ID Annotated Anodyne Cc1c(Br)cc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2c1C ZINC000587221600 ID Annotated Anodyne Cc1c(Br)cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2c1C ZINC000587221601 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587222024 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587222026 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587222028 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587222030 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587222484 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587222486 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587222489 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587222492 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587222590 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587222591 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587222593 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587222595 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587223186 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587223187 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587223189 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587223190 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587223926 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587223928 ID Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587223931 ID Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587223933 ID Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587227002 ID Annotated Bother CC1=C(c2ccc3nc(CNC(=O)CNC(=O)OCc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587227470 ID Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587228523 ID Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CNCCNCC(=O)O)[nH]c2c1 ZINC000587229235 ID Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C(=O)OC)ncc3[nH]2)c1 ZINC000587229454 ID Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CNCCNCC(=O)O)[nH]c3c2)cc1 ZINC000587229604 ID Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(C(=O)OC)ccnc3[nH]2)c1 ZINC000587230078 ID Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C(=O)OC)nc3[nH]2)c1 ZINC000587231207 ID Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 ZINC000587231233 ID Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587231534 ID Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 ZINC000587232263 ID Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587232489 ID Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587232496 ID Annotated Anodyne CC(=O)NC1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCC(C)CC1 ZINC000587234126 ID Annotated Anodyne NCCOCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587245843 ID Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCOCCOCCN)[nH]c2c1 ZINC000587246246 ID Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCOCCOCCN)[nH]c3c2)cc1 ZINC000587246953 ID Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)C2 ZINC000587247720 ID Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)C2 ZINC000587247721 ID Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)CCCNC(N)=O)[nH]c3c2)cc1 ZINC000587259285 ID Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c1 ZINC000587260532 ID Annotated Anodyne C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261274 ID Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261275 ID Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261276 ID Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261277 ID Annotated Bother Cc1cc(C#Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262826 ID Annotated Mild N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587265029 ID Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265917 ID Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587266012 ID Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587266014 ID Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587266016 ID Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587266018 ID Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587266664 ID Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587266665 ID Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587266668 ID Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587266669 ID Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587267412 ID Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587267413 ID Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587267414 ID Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587267436 ID Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587267513 ID Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587267514 ID Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587267713 ID Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587268171 ID Annotated Bother O=C(c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1)N1CCN(CCO)CC1 ZINC000587268524 ID Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587270655 ID Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587270789 ID Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587270845 ID Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271122 ID Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587271334 ID Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587271660 ID Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587271687 ID Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587271779 ID Annotated Bother COC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1OC ZINC000587272125 ID Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587272285 ID Annotated Bother Cc1c(Br)cnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587272737 ID Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587272946 ID Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587272953 ID Annotated Bother O=C(c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587273246 ID Annotated Bother CN(C)CCOc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587273257 ID Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587273362 ID Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587273421 ID Annotated Bother Cc1nc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1Br ZINC000587274045 ID Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587274317 ID Annotated Bother N[C@@H](CN1C=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1)C(=O)O ZINC000587342725 ID Annotated Anodyne N[C@@H](CN1C=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1)C(=O)O ZINC000587342729 ID Annotated Anodyne N[C@@H](CN1C=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1)C(=O)O ZINC000587342730 ID Annotated Anodyne N[C@@H](CN1C=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1)C(=O)O ZINC000587342731 ID Annotated Anodyne N[C@@H](CN1C=CC(=O)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)C(=O)O ZINC000587348495 ID Annotated Mild N[C@@H](CN1C=CC(=O)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)C(=O)O ZINC000587348498 ID Annotated Mild N[C@@H](CN1C=CC(=O)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)C(=O)O ZINC000587348500 ID Annotated Mild N[C@@H](CN1C=CC(=O)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)C(=O)O ZINC000587348502 ID Annotated Mild CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354280 ID Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354284 ID Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354286 ID Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354289 ID Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](Br)C(=O)C(=O)[C@@H]1Br ZINC000587370830 ID Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](Br)C(=O)C(=O)[C@H]1Br ZINC000587370845 ID Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](Br)C(=O)C(=O)[C@H]1Br ZINC000587370950 ID Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](Br)C(=O)C(=O)[C@@H]1Br ZINC000587370952 ID Annotated Reactive O=C1c2ccc(O)cc2O[C@](CO)(CN[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587378074 ID Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(CN[C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587378075 ID Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(CN[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587378076 ID Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(CN[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587378077 ID Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCC(C(N)=O)CC3)nc3ccccn3c1=O)O2 ZINC000587396063 ID Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCC(C(N)=O)CC3)nc3ccccn3c1=O)O2 ZINC000587396064 ID Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CN2CCN(CCO)CC2)c2ccccc21 ZINC000587397885 ID Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CN2CCN(CCO)CC2)c2ccccc21 ZINC000587397889 ID Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC1=O)O2 ZINC000587407458 ID Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC1=O)O2 ZINC000587407467 ID Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000587408028 ID Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000587408037 ID Annotated Anodyne COC(=O)[C@H]1NS(=O)(=O)c2cc(Cl)sc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411281 ID Annotated Anodyne COC(=O)[C@H]1NS(=O)(=O)c2cc(Cl)sc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411284 ID Annotated Anodyne COC(=O)[C@@H]1NS(=O)(=O)c2cc(Cl)sc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411287 ID Annotated Anodyne COC(=O)[C@@H]1NS(=O)(=O)c2cc(Cl)sc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411289 ID Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C(=O)OCC ZINC000587435541 ID Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C(=O)OCC ZINC000587435549 ID Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCCCN1C(=O)[C@@H]4[C@H](N=CN4C)N(C)C1=O)[C@@H](C2)C3=O ZINC000587436469 ID Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCCCN1C(=O)[C@H]4[C@H](N=CN4C)N(C)C1=O)[C@@H](C2)C3=O ZINC000587436470 ID Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCCCN1C(=O)[C@@H]4[C@@H](N=CN4C)N(C)C1=O)[C@@H](C2)C3=O ZINC000587436471 ID Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCCCN1C(=O)[C@H]4[C@@H](N=CN4C)N(C)C1=O)[C@@H](C2)C3=O ZINC000587436472 ID Annotated Anodyne C#CCN1C(=O)[C@@H](C(=O)OCC)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cccnc21 ZINC000587436895 ID Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cccnc21 ZINC000587436896 ID Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cccnc21 ZINC000587436897 ID Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cccnc21 ZINC000587436898 ID Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)N(CN4CCN(CCO)CC4)c4ccccc41)[C@@H](C2)C3=O ZINC000587441134 ID Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CN4CCN(CCO)CC4)c4ccccc41)[C@@H](C2)C3=O ZINC000587441142 ID Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449381 ID Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449385 ID Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccsc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450352 ID Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450358 ID Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450362 ID Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450365 ID Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587450970 ID Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587450978 ID Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(Cc4oc(=O)c5cc(O)c(O)c(O)c5c4OC1=O)[C@@H](C2)C3=O ZINC000587452080 ID Annotated Clean COc1cc2c3c(c1)O[C@]1(Cc4oc(=O)c5cc(O)c(O)c(O)c5c4OC1=O)[C@@H](C2)C3=O ZINC000587452085 ID Annotated Clean COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H](c4ccccc4)OC[C@H]1O)[C@@H](C2)C3=O ZINC000587454048 ID Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O[C@H](c4ccccc4)OC[C@H]1O)[C@@H](C2)C3=O ZINC000587454053 ID Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@H](c4ccccc4)OC[C@H]1O)[C@@H](C2)C3=O ZINC000587454055 ID Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H](c4ccccc4)OC[C@H]1O)[C@@H](C2)C3=O ZINC000587454056 ID Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O[C@H](C=O)CO)n1cnc3c(N)ncnc31)CC2=O ZINC000587475661 ID Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@H](O[C@H](C=O)CO)n1cnc3c(N)ncnc31)CC2=O ZINC000587475662 ID Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@@H](O[C@@H](C=O)CO)n1cnc3c(N)ncnc31)CC2=O ZINC000587475663 ID Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@H](O[C@@H](C=O)CO)n1cnc3c(N)ncnc31)CC2=O ZINC000587475664 ID Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C2=C1NCCCN2CCP(=O)(O)O ZINC000587484848 ID Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C2=C1NCCCN2CCP(=O)(O)O ZINC000587484867 ID Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C2=C1N(CCP(=O)(O)O)CCCN2 ZINC000587486283 ID Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C2=C1N(CCP(=O)(O)O)CCCN2 ZINC000587486859 ID Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@H](c3ccccc3)OC[C@H]1O)CC2=O ZINC000587490834 ID Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H](c3ccccc3)OC[C@H]1O)CC2=O ZINC000587490841 ID Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O[C@H](c3ccccc3)OC[C@H]1O)CC2=O ZINC000587490843 ID Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H](c3ccccc3)OC[C@H]1O)CC2=O ZINC000587490844 ID Annotated Anodyne Nc1ncnc2c1ncn2[C@H](C=O)O[C@@H](CO)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515623 ID Annotated Mild Nc1ncnc2c1ncn2[C@H](C=O)O[C@H](CO)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515624 ID Annotated Mild Nc1ncnc2c1ncn2[C@H](C=O)O[C@H](CO)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515625 ID Annotated Mild Nc1ncnc2c1ncn2[C@H](C=O)O[C@@H](CO)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515626 ID Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)C1=C2N(CCP(=O)(O)O)CCCN1 ZINC000587531260 ID Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)C1=C2N(CCP(=O)(O)O)CCCN1 ZINC000587531265 ID Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)C1=C2NCCCN1CCP(=O)(O)O ZINC000587531764 ID Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)C1=C2NCCCN1CCP(=O)(O)O ZINC000587531765 ID Annotated Mild COC(=O)CON=C(C(=O)O)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543566 ID Annotated Reactive COC(=O)CON=C(C(=O)O)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543584 ID Annotated Reactive COC(=O)CON=C(C(=O)O)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543589 ID Annotated Reactive COC(=O)CON=C(C(=O)O)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543592 ID Annotated Reactive COC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587554165 ID Annotated Bother COC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587554166 ID Annotated Bother COC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587554167 ID Annotated Bother COC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587554168 ID Annotated Bother CCCn1cnc2c1c(=O)n(CCCCc1ccc3c(O)nc(O)nc3n1)c(=O)n2C ZINC000587556560 ID Annotated Anodyne COc1cccc([C@H]2[C@@H](c3ccc4c(O)nc(O)nc4n3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000587556695 ID Annotated Anodyne COc1cccc([C@H]2[C@H](c3ccc4c(O)nc(O)nc4n3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000587556697 ID Annotated Anodyne COc1cccc([C@@H]2[C@@H](c3ccc4c(O)nc(O)nc4n3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000587556698 ID Annotated Anodyne COc1cccc([C@@H]2[C@H](c3ccc4c(O)nc(O)nc4n3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000587556700 ID Annotated Anodyne COc1ccc([C@H]2[C@@H](c3ccc4c(O)nc(O)nc4n3)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587557700 ID Annotated Anodyne COc1ccc([C@H]2[C@H](c3ccc4c(O)nc(O)nc4n3)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587557701 ID Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc4c(O)nc(O)nc4n3)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587557702 ID Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccc4c(O)nc(O)nc4n3)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587557860 ID Annotated Anodyne COC(=O)[C@@]1(CCc2ccc3c(O)nc(O)nc3n2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587557949 ID Annotated Anodyne COC(=O)[C@]1(CCc2ccc3c(O)nc(O)nc3n2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587557952 ID Annotated Anodyne COC(=O)[C@@]1(Cc2cc3c(O)nc(O)nc3nc2C)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587559312 ID Annotated Anodyne COC(=O)[C@]1(Cc2cc3c(O)nc(O)nc3nc2C)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587559313 ID Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000587562429 ID Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1cc3c(O)nc(O)nc3nc1-4)[C@]1(O)C=CO[C@@H]1O2 ZINC000587562790 ID Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc4c(c3)OCCOCCOCCOCCO4)nc2n1 ZINC000587562922 ID Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3cc4c(O)nc(O)nc4nc32)c(Cl)c1 ZINC000587563848 ID Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3cc4c(O)nc(O)nc4nc32)c(Cl)c1 ZINC000587563863 ID Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587568437 ID Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587569976 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570492 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570495 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570497 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570499 ID Annotated Anodyne CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@@]3(C=C21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587581388 ID Annotated Reactive CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@@]3(C=C21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587581389 ID Annotated Reactive CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@]3(C=C21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587581390 ID Annotated Reactive CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@@]3(C=C21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587581391 ID Annotated Reactive CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@]3(C=C21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587581392 ID Annotated Reactive CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@]3(C=C21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587581393 ID Annotated Reactive CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@]3(C=C21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587581394 ID Annotated Reactive CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@@]3(C=C21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587581395 ID Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000587584503 ID Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000587584504 ID Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000587584505 ID Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000587584506 ID Annotated Anodyne Cn1cc(S(N)(=O)=O)cc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604883 ID Annotated Anodyne Cn1cc(S(N)(=O)=O)cc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604896 ID Annotated Anodyne Cn1cc(S(N)(=O)=O)cc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604897 ID Annotated Anodyne Cn1cc(S(N)(=O)=O)cc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604898 ID Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587606862 ID Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587606867 ID Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587606868 ID Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587606870 ID Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 ZINC000587610297 ID Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 ZINC000587610300 ID Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3[nH]nnc3=N)c2c1 ZINC000587620793 ID Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C[C@H](N)C(N)=O)c2c1 ZINC000587621295 ID Annotated Bother Cn1c(=O)n(C)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cccc([N+](=O)[O-])c23)c1=O ZINC000587648507 ID Annotated Bother Cn1c(=O)n(C)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cc([N+](=O)[O-])ccc23)c1=O ZINC000587648764 ID Annotated Bother Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587651127 ID Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587651128 ID Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587651129 ID Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587651130 ID Annotated Anodyne O=C(Cn1ncn2nccc2c1=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657633 ID Annotated Anodyne O=C(CN1CCS(=O)(=O)CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657933 ID Annotated Anodyne CS(=O)(=O)N1CCO[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1 ZINC000587659184 ID Annotated Anodyne CS(=O)(=O)N1CCO[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1 ZINC000587659187 ID Annotated Anodyne CS(=O)(=O)N1CCO[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587660904 ID Annotated Anodyne CS(=O)(=O)N1CCO[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587660905 ID Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3[nH]nnc3=N)c(=O)c3ccccc23)c(O)c1 ZINC000587667493 ID Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cnc(N)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667952 ID Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCC(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587668665 ID Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3[nH]nnc3=N)c(=O)c3ccccc23)cc1OCC ZINC000587670780 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587682432 ID Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587682438 ID Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587682440 ID Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587682442 ID Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(O)nc(=O)n(C)c2N)N1 ZINC000587682824 ID Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(O)nc(=O)n(C)c2N)N1 ZINC000587682825 ID Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(O)nc(=O)n(C)c2N)N1 ZINC000587682826 ID Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(O)nc(=O)n(C)c2N)N1 ZINC000587682827 ID Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(O)nc(=O)n(C)c2N)N1 ZINC000587686394 ID Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(O)nc(=O)n(C)c2N)N1 ZINC000587686395 ID Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(O)nc(=O)n(C)c2N)N1 ZINC000587686396 ID Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(O)nc(=O)n(C)c2N)N1 ZINC000587686397 ID Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587686794 ID Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587686796 ID Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587686797 ID Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587686799 ID Annotated Reactive CC(=O)CC(=O)NCCNC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754043 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754069 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754073 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754075 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754700 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754701 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754702 ID Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754704 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)n(C)c(=O)n(C)c2=O)N1 ZINC000587756692 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)n(C)c(=O)n(C)c2=O)N1 ZINC000587756693 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)n(C)c(=O)n(C)c2=O)N1 ZINC000587756694 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)n(C)c(=O)n(C)c2=O)N1 ZINC000587756695 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587756700 ID Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587756701 ID Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587756702 ID Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587756703 ID Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)n(C)c(=O)n(C)c2=O)N1 ZINC000587758905 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)n(C)c(=O)n(C)c2=O)N1 ZINC000587758909 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)n(C)c(=O)n(C)c2=O)N1 ZINC000587758910 ID Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)n(C)c(=O)n(C)c2=O)N1 ZINC000587758913 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587762018 ID Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587762021 ID Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587762023 ID Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587762025 ID Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1 ZINC000587775997 ID Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1 ZINC000587775998 ID Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1 ZINC000587775999 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1 ZINC000587776000 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1 ZINC000587777235 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1 ZINC000587777238 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1 ZINC000587777240 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1 ZINC000587777242 ID Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc(O)c1O ZINC000587784745 ID Annotated Clean COc1cc(/C=C/c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc(O)c1O ZINC000587784751 ID Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(CN(S(=O)(=O)c3cn(C)cn3)C2)N1 ZINC000587838908 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CN(S(=O)(=O)c3cn(C)cn3)C2)N1 ZINC000587838912 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cc(S(N)(=O)=O)cn2C)N1 ZINC000587840658 ID Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cc(S(N)(=O)=O)cn2C)N1 ZINC000587840659 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cc(S(N)(=O)=O)cn2C)N1 ZINC000587840660 ID Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cc(S(N)(=O)=O)cn2C)N1 ZINC000587840661 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(S(N)(=O)=O)cc12 ZINC000587840692 ID Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(S(N)(=O)=O)cc12 ZINC000587840693 ID Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(S(N)(=O)=O)cc12 ZINC000587840694 ID Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(S(N)(=O)=O)cc12 ZINC000587840695 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cc(S(N)(=O)=O)cn2C)N1 ZINC000587840814 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cc(S(N)(=O)=O)cn2C)N1 ZINC000587840815 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cc(S(N)(=O)=O)cn2C)N1 ZINC000587840816 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cc(S(N)(=O)=O)cn2C)N1 ZINC000587840817 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(S(N)(=O)=O)cc12 ZINC000587841182 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(S(N)(=O)=O)cc12 ZINC000587841183 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(S(N)(=O)=O)cc12 ZINC000587841184 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(S(N)(=O)=O)cc12 ZINC000587841185 ID Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CN(S(=O)(=O)c3cn(C)cn3)C2)N1 ZINC000587841612 ID Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CN(S(=O)(=O)c3cn(C)cn3)C2)N1 ZINC000587841613 ID Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[C@@H](C(=O)NN)N1CCOCC1 ZINC000587863366 ID Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[C@H](C(=O)NN)N1CCOCC1 ZINC000587863367 ID Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000587863559 ID Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000587863560 ID Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](CC(=O)NN)N1CCOCC1 ZINC000587863690 ID Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](CC(=O)NN)N1CCOCC1 ZINC000587863691 ID Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000587869195 ID Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000587869274 ID Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000587869275 ID Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000587869691 ID Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000587871258 ID Annotated Bother COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CC(=O)NN)c1N ZINC000587876353 ID Annotated Reactive CCOC(=O)c1nn(C(=O)c2[nH]nc([N+](=O)[O-])c2Br)c(OCC)c1C#N ZINC000587877189 ID Annotated Mild COc1nc(N2CCNCC2)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880817 ID Annotated Mild CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)N2CCNCC2)n1 ZINC000587885448 ID Annotated Mild CNC(=O)c1ccn(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)n1 ZINC000587885560 ID Annotated Mild NC(=O)c1ccn(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)n1 ZINC000587885847 ID Annotated Mild NNC(=O)c1ccn(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)n1 ZINC000587886012 ID Annotated Reactive NC(=O)c1nnn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1N ZINC000587886242 ID Annotated Mild CC1(C)O[C@@H]2[C@H](O1)C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C[C@@H](O)[C@H]2O ZINC000587891061 ID Annotated Mild CCCCn1c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O ZINC000587891132 ID Annotated Mild Nc1nc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n1N ZINC000587891578 ID Annotated Mild CS(=O)(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)n1 ZINC000587895063 ID Annotated Mild CN(C)S(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587896091 ID Annotated Mild CNS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587896458 ID Annotated Mild COC(=O)C(=O)c1nc(N)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897556 ID Annotated Mild CN1CCN(c2ccc(-n3c4c(c5c3OC(=O)C5)CC(=O)O4)cc2Br)CC1 ZINC000587937778 ID Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cc(C(=O)O)ncc1Br ZINC000587939393 ID Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1OC ZINC000587939994 ID Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1ccnc(Br)c1 ZINC000587940360 ID Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cnc(C)c(Br)n2)c1OC ZINC000587940730 ID Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587941951 ID Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587941955 ID Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cnc(C)c(Br)n2)c1OC ZINC000587942335 ID Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2c[nH]cc(Br)c2=O)c1OC ZINC000587942355 ID Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2c[nH]cc(Br)c2=O)c1OC ZINC000587942467 ID Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)C(=O)O ZINC000587944607 ID Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2nc(N3CCCCC3)ncc2F)c1OC ZINC000587944830 ID Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2nc(N3CCCCC3)ncc2F)c1OC ZINC000587945388 ID Annotated Anodyne O=C1Cc2c3c(n(-c4nc(S)ncc4C(=O)Nc4cccc(F)c4)c2O1)OC(=O)C3 ZINC000587946831 ID Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4[C@H](C(=O)O)[C@H]4C(=O)O)[nH]c3c2)cc1 ZINC000587971164 ID Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)cc1 ZINC000587971165 ID Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)cc1 ZINC000587971166 ID Annotated Anodyne Cc1c(O)cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@H]2O)c2c1O/C(=C/c1ccc(O)cc1)C2=O ZINC000059775003 ID Annotated Mild Cc1c(O)cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)c2c1O/C(=C/c1ccc(O)cc1)C2=O ZINC000059775009 ID Annotated Mild COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)cc1 ZINC000059776754 ID Annotated Anodyne COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)cc1 ZINC000059776758 ID Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)cc1O ZINC000059777067 ID Annotated Anodyne COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)cc1O ZINC000059777071 ID Annotated Anodyne COc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)c2c(c1OC)O[C@@H](c1ccccc1)CC2=O ZINC000059778035 ID Annotated Anodyne COc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)c2c(c1OC)O[C@@H](c1ccccc1)CC2=O ZINC000059778039 ID Annotated Anodyne CCOC(=O)n1ccc2c(C(=O)OC)c(C(=O)OC)cc(/C(=C/C(=O)OC)C(=O)OC)c21 ZINC000006003895 ID Annotated Anodyne COC(=O)Nc1cc(OCCCOC(C)=O)c2[nH]c(C(=O)OC)cc2c1C[C@H](O)CO ZINC000006010204 ID Annotated Anodyne O=C(O)CNn1c(SCC(=O)O)nnc(/C=C/c2c(O)ccc3ccccc23)c1=O ZINC000006018771 ID Annotated Anodyne CC1(C)OC(/C(=C\COc2ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc2)CO)=CC1=O ZINC000006019580 ID Annotated Mild CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000006053601 ID Annotated Anodyne CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000006053603 ID Annotated Anodyne CN(C)/C=N/S(=O)(=O)c1nn2c(C=O)c(-c3cc4ccccc4oc3=O)nc2s1 ZINC000006244611 ID Annotated Mild CN(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000006296491 ID Annotated Anodyne CC[C@@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O ZINC000006296530 ID Annotated Anodyne CC[C@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O ZINC000006296531 ID Annotated Anodyne CN1CCN(c2ncnc3c2ncn3[C@H]2CN(Cc3cccs3)C[C@@H](CO)O2)CC1 ZINC000061897122 ID Annotated Anodyne CCCC(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cc2c(cc1C)CCCS2(=O)=O ZINC000061897686 ID Annotated Anodyne CCCC(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cc2c(cc1C)CCCS2(=O)=O ZINC000061897687 ID Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)no2)cc1 ZINC000061902276 ID Annotated Mild N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)no2)cc1 ZINC000061902277 ID Annotated Mild CCCCN(C=O)c1c(CC)nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn12 ZINC000061904054 ID Annotated Anodyne COc1cc(C(=O)N2CCC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)cc(OC)c1OC ZINC000061905045 ID Annotated Anodyne COc1cc(C(=O)N2CCC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)cc(OC)c1OC ZINC000061905046 ID Annotated Anodyne COc1cc(CNC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc(OC)c1OC ZINC000061905526 ID Annotated Anodyne COc1cc(CNC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc(OC)c1OC ZINC000061905573 ID Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000061905868 ID Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000061905869 ID Annotated Anodyne COc1cc(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc(OC)c1OC ZINC000061905882 ID Annotated Anodyne COc1cc(CNC(=O)Nc2cccn3nc(COCCO)nc23)cc(OC)c1OC ZINC000061908664 ID Annotated Anodyne COc1cc(NC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc(OC)c1OC ZINC000061908792 ID Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1CCCN1CCCC1=O ZINC000061920965 ID Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1CCCN1CCCC1=O ZINC000061920966 ID Annotated Anodyne COc1ccc([C@H]2N[C@]3(CCCN(Cc4cccn4C)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921212 ID Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCN2CCOCC2)CC(C(=O)N(CC)CC)=C1C ZINC000061921483 ID Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCN2CCOCC2)CC(C(=O)N(CC)CC)=C1C ZINC000061921484 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061921588 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061921774 ID Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921916 ID Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921917 ID Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921919 ID Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921920 ID Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921929 ID Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921930 ID Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921983 ID Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921985 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@@H]1O2 ZINC000061922223 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC(C)(C)O)cnc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000061922536 ID Annotated Mild CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cccnc3)O[C@H](CO)[C@@H]1O2 ZINC000061922784 ID Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000061922810 ID Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@H](CC(=O)NC2CC2)C1 ZINC000061922927 ID Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@@H](CC(=O)NC2CC2)C1 ZINC000061922929 ID Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000061923458 ID Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000061923459 ID Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1 ZINC000061923712 ID Annotated Bother O=C(c1ccco1)N1CCN([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1 ZINC000061923716 ID Annotated Bother CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn12 ZINC000061925615 ID Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)nn1C ZINC000061929617 ID Annotated Anodyne Cc1cc(C(=O)N2CC[C@]2(C)C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)nn1C ZINC000061929619 ID Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)CN(C)C(=O)[C@@]12C ZINC000061931338 ID Annotated Anodyne NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cccc4c3sc3ccccc34)[C@@H](O)[C@H]2O)n1 ZINC000061935901 ID Annotated Anodyne CCC/N=C1\N(CC)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C(=O)OC)N12 ZINC000061942206 ID Annotated Mild CCC/N=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N12 ZINC000061942218 ID Annotated Mild CCC/N=C1\N(CC)C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12 ZINC000061942224 ID Annotated Mild CC(C)(C)S(=O)(=O)N1C[C@@H]2C(=CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)[C@@H]1CCO ZINC000061943324 ID Annotated Anodyne CC(C)(C)S(=O)(=O)N1Cc2cc(=O)n(Cc3ccccc3)c(CCO)c2[C@@H]1CCO ZINC000061943328 ID Annotated Anodyne CC(C)(C)S(=O)(=O)N1C[C@H]2C(=CC[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)[C@H]1CCO ZINC000061943337 ID Annotated Anodyne CC(C)(C)S(=O)(=O)N1Cc2cc(=O)n(Cc3ccccc3)c(CCO)c2[C@H]1CCO ZINC000061943343 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCC3CC3)N1[C@@]2(Cc1ccccc1)C(=O)OC ZINC000061944579 ID Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCC3CC3)N21 ZINC000061944592 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCC(=O)c3ccccc3)N1[C@@]2(CC)C(=O)OC ZINC000061944613 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(OC)cc3)N1[C@@]2(CC)C(=O)OC ZINC000061944618 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(C#N)cc3)N1[C@@]2(CC)C(=O)OC ZINC000061944620 ID Annotated Mild CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C#N)cc3)N21 ZINC000061944632 ID Annotated Mild COC(=O)[C@@]1(C)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCC3CC3)N21 ZINC000061944648 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCC(=O)c3ccccc3)N1[C@@]2(C)C(=O)OC ZINC000061944651 ID Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(C#N)cc3)N1[C@@]2(C)C(=O)OC ZINC000061944653 ID Annotated Mild C[C@H](O)c1cccc(-c2ccc(CN3C[C@]4(CO)O[C@@H](CO)C[C@@H]4S3(=O)=O)cc2)c1 ZINC000061944847 ID Annotated Anodyne C[C@@H](O)c1cccc(-c2ccc(CN3C[C@]4(CO)O[C@@H](CO)C[C@@H]4S3(=O)=O)cc2)c1 ZINC000061944849 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061945456 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC000061945459 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)C1CCCCC1 ZINC000061945462 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)OCc2cnnn2CCCC1=O ZINC000061945467 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)C1CCCCC1 ZINC000061945468 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1cccc(O)c1 ZINC000061945556 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccnc1 ZINC000061945561 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061945638 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945640 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945642 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061945648 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945649 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCCCC2)OCc2cnnn2CCCC1=O ZINC000061945651 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945742 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061945750 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061945753 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061945758 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061945764 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945765 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061945766 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061945769 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061945775 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061945779 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(O)cc1 ZINC000061945809 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1cccc(O)c1 ZINC000061945812 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(O)c2)OCc2cnnn2CCCC1=O ZINC000061945815 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccc(O)c1 ZINC000061945949 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945964 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC000061945980 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)C1CCCCC1 ZINC000061945986 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)OCc2cnnn2CCCC1=O ZINC000061946105 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1cccnc1 ZINC000061946111 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC000061946127 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC000061946136 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061946234 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061946243 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(O)cc1 ZINC000061946256 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccncc1 ZINC000061946271 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccccc2)OCc2cnnn2CCCC1=O ZINC000061946282 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000061946288 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)OCc2cnnn2CCCC1=O ZINC000061946300 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccccc2)OCc2cnnn2CCCC1=O ZINC000061946305 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000061946306 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccncc1 ZINC000061946311 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000061946315 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccncc1 ZINC000061946321 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)c1ccccc1 ZINC000061946326 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)c1ccccc1 ZINC000061946327 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)c1ccccc1 ZINC000061946334 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCc2cnnn2CCCC1=O ZINC000061946340 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccccc1 ZINC000061946345 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccccc1 ZINC000061946363 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccccc1 ZINC000061946374 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000061946410 ID Annotated Anodyne CCNC(=O)N(CC)C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000061947100 ID Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccc(F)cc1 ZINC000061947104 ID Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccc(OC)cc1 ZINC000061947105 ID Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccc(C)cc1 ZINC000061947108 ID Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)NC(C)C)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000061947110 ID Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)Nc2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947121 ID Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)NC(C)C ZINC000061947125 ID 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)Nc1ccc(Cl)cc1 ZINC000061947163 ID Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)c2ccccc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947187 ID 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)c1ccc(C(C)(C)C)cc1 ZINC000061947225 ID Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)c2ccccc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000061947235 ID Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947240 ID Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)Cn1cnc2c(OCc3ccccc3)ncnc21 ZINC000061947299 ID Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@@H]2CCCN2C1=O)NCCO ZINC000061948332 ID Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@@H]2CCCN2C1=O)NCCO ZINC000061948340 ID Annotated Anodyne C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000061948520 ID Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H]2CCCN2C1=O)NCCO ZINC000061948537 ID Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H]2CCCN2C1=O)NCCO ZINC000061948546 ID Annotated Anodyne C[C@@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000061948551 ID Annotated Anodyne C[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000061948562 ID Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000061948570 ID Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000061948584 ID Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@H](Cc2ccc(F)cc2)C(=O)OC[C@H]2CCCN2C1=O)NCCO ZINC000061948601 ID Annotated Anodyne C=CC[C@@H](CC(=O)OC(C)(C)C)C(=O)OCCNC(=O)[C@H](CC=C)CC(=O)NCCO ZINC000061948620 ID Annotated Mild COCCNC(=O)c1cccc2c1C(=O)c1ccc(N3CCOCC3)cc1S2(=O)=O ZINC000061948764 ID Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)[C@H](C)NC(=O)[C@@]12C ZINC000061948815 ID Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(F)cc1 ZINC000061949097 ID Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(C)cc1 ZINC000061949101 ID Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccccc1 ZINC000061949103 ID Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(F)cc1 ZINC000061949109 ID Annotated Anodyne Cc1ccc(C(=O)N2[C@@H]3CN(C)C(=O)[C@@]2(Cc2ccccc2)[C@H]2C(=O)N(C)C(=O)[C@@H]32)cc1 ZINC000061949111 ID Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000061949133 ID Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]31)N2C(=O)c1ccccc1 ZINC000061949148 ID Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(Br)cc1 ZINC000061949153 ID Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccccc1 ZINC000061949182 ID Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Br)cc1 ZINC000061949187 ID Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(F)cc1 ZINC000061949208 ID Annotated Anodyne Cc1ccc(C(=O)N2[C@@H]3CN(C)C(=O)[C@@]2(C)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)cc1 ZINC000061949212 ID Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@@]12C ZINC000061949419 ID Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)CN(C[C@H]3CCCO3)C(=O)[C@@]12C ZINC000061949420 ID Annotated Anodyne C=C(Br)CN1[C@@H](Cc2ccccc2)[C@H](O)[C@@]23C=C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000061958585 ID Annotated Mild O=C(CCNS(=O)(=O)c1ccc2nsnc2c1)N1CCN(c2ccncc2)CC1 ZINC000061959480 ID Annotated Anodyne Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(F)c2)c1CN1CCCCCC1 ZINC000061969794 ID Annotated Reactive Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ccccc32)n[nH]1 ZINC000618006318 ID Annotated Anodyne CN(C)CCSSC[C@H](NC(=O)c1cscn1)C(=O)NCc1ccncc1 ZINC000618007579 ID Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)CSc2ncccn2)CC1 ZINC000618007652 ID Annotated Reactive CN(C)CCSSC[C@H](NC(=O)c1cscn1)C(=O)NCc1ccccn1 ZINC000618007728 ID Annotated Reactive COc1ncccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1cccnc1 ZINC000618007857 ID Annotated Reactive COc1ncccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccccn1 ZINC000618007861 ID Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc3nn[nH]c3c2)CC1 ZINC000618007889 ID Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3nn[nH]c3c2)C1 ZINC000618007985 ID Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3nn[nH]c3c2)C1 ZINC000618007987 ID Annotated Reactive COc1ncccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1 ZINC000618007988 ID Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000618008028 ID Annotated Reactive CN(C)CCSSC[C@H](NC(=O)c1cscn1)C(=O)NCc1cccnc1 ZINC000618008116 ID Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000618009049 ID Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@H](O)Cc2ccccc2)CC1 ZINC000618009050 ID Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](C1)S[C@@H]1N[C@H](Cn3nc(C(=O)O)c4ccccc4c3=O)NC(=O)[C@@H]12 ZINC000618012748 ID Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C1)S[C@@H]1N[C@@H](Cn3nc(C(=O)O)c4ccccc4c3=O)NC(=O)[C@@H]12 ZINC000618012749 ID Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C1)S[C@@H]1N[C@@H](Cn3nc(C(=O)O)c4ccccc4c3=O)NC(=O)[C@H]12 ZINC000618012750 ID Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C1)S[C@@H]1N[C@H](Cn3nc(C(=O)O)c4ccccc4c3=O)NC(=O)[C@H]12 ZINC000618012751 ID Annotated Anodyne CCCN(C[C@@H]1NC(=O)[C@H]2SCC[C@@H]2N1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 ZINC000618013499 ID Annotated Anodyne CCCN(C[C@@H]1NC(=O)[C@H]2SCC[C@H]2N1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 ZINC000618013517 ID Annotated Anodyne CCCN(C[C@@H]1NC(=O)[C@@H]2SCC[C@H]2N1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 ZINC000618013518 ID Annotated Anodyne CCCN(C[C@@H]1NC(=O)[C@@H]2SCC[C@@H]2N1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 ZINC000618013519 ID Annotated Anodyne CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H]3C(=O)N(CC)C(=O)N[C@@H]3C1)CC2 ZINC000618014699 ID Annotated Anodyne CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC[C@@H]3C(=O)N(CC)C(=O)N[C@@H]3C1)CC2 ZINC000618014708 ID Annotated Anodyne CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H]3C(=O)N(CC)C(=O)N[C@H]3C1)CC2 ZINC000618014709 ID Annotated Anodyne CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC[C@@H]3C(=O)N(CC)C(=O)N[C@H]3C1)CC2 ZINC000618014710 ID Annotated Anodyne C[C@H](SC[C@@H]1NC(=O)[C@@H]2[C@@H](N1)SC[C@@H]2c1ccccc1)C(=O)NCC(=O)NC1CC1 ZINC000618014933 ID Annotated Anodyne C[C@H](SC[C@@H]1NC(=O)[C@H]2[C@@H](c3ccccc3)CS[C@H]2N1)C(=O)NCC(=O)NC1CC1 ZINC000618014934 ID Annotated Anodyne C[C@H](SC[C@@H]1NC(=O)[C@@H]2[C@H](N1)SC[C@H]2c1ccccc1)C(=O)NCC(=O)NC1CC1 ZINC000618014935 ID Annotated Anodyne C[C@H](SC[C@@H]1NC(=O)[C@@H]2[C@@H](N1)SC[C@H]2c1ccccc1)C(=O)NCC(=O)NC1CC1 ZINC000618014936 ID Annotated Anodyne CCCCCN(Cc1cc(=O)n2ccccc2n1)[C@@H]1C(=O)NC(=O)N(CCCC)[C@@H]1N ZINC000618015140 ID Annotated Anodyne CCCCCN(Cc1cc(=O)n2ccccc2n1)[C@H]1C(=O)NC(=O)N(CCCC)[C@@H]1N ZINC000618015142 ID Annotated Anodyne CCCCN(C(=O)CN(C1CC1)[C@H](C)c1ccccn1)[C@@H]1C(=O)NC(=O)N(CCC)[C@@H]1N ZINC000618015446 ID Annotated Anodyne CCCCN(C(=O)CN(C1CC1)[C@H](C)c1ccccn1)[C@H]1C(=O)NC(=O)N(CCC)[C@@H]1N ZINC000618015447 ID Annotated Anodyne CCCCN(C(=O)CN(C1CC1)[C@H](C)c1ccccn1)[C@H]1C(=O)NC(=O)N(CCC)[C@H]1N ZINC000618015448 ID Annotated Anodyne CCCCN(C(=O)CN(C1CC1)[C@H](C)c1ccccn1)[C@@H]1C(=O)NC(=O)N(CCC)[C@H]1N ZINC000618015449 ID Annotated Anodyne CCOC(=O)NNC(=O)[C@H](C)SC[C@@H]1NC(=O)[C@H]2[C@@H](c3ccccc3)CS[C@H]2N1 ZINC000618015682 ID Annotated Reactive CCOC(=O)NNC(=O)[C@H](C)SC[C@@H]1NC(=O)[C@@H]2[C@@H](N1)SC[C@@H]2c1ccccc1 ZINC000618015683 ID Annotated Reactive CCOC(=O)NNC(=O)[C@H](C)SC[C@@H]1NC(=O)[C@@H]2[C@H](N1)SC[C@H]2c1ccccc1 ZINC000618015684 ID Annotated Reactive CCOC(=O)NNC(=O)[C@H](C)SC[C@@H]1NC(=O)[C@@H]2[C@@H](N1)SC[C@H]2c1ccccc1 ZINC000618015685 ID Annotated Reactive CC(=O)[C@H](C)N1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1CN(Cc1ccccc1)Cc1ccccc1 ZINC000618015872 ID Annotated Anodyne CC(=O)[C@H](C)N1[C@H](CN(Cc2ccccc2)Cc2ccccc2)N[C@@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618015878 ID Annotated Anodyne CC(=O)[C@H](C)N1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1CN(Cc1ccccc1)Cc1ccccc1 ZINC000618015879 ID Annotated Anodyne CC(=O)[C@H](C)N1[C@H](CN(Cc2ccccc2)Cc2ccccc2)N[C@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618015880 ID Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)CC1 ZINC000618016471 ID Annotated Anodyne CCOc1ccccc1N1CCN([C@@H]2NC[C@H]3C(=O)N(C4CCCC4)C(=O)N[C@H]3N2)CC1 ZINC000618016489 ID Annotated Anodyne CCOc1ccccc1N1CCN([C@@H]2NC[C@H]3C(=O)N(C4CCCC4)C(=O)N[C@@H]3N2)CC1 ZINC000618016490 ID Annotated Anodyne CCOc1ccccc1N1CCN([C@@H]2NC[C@@H]3C(=O)N(C4CCCC4)C(=O)N[C@@H]3N2)CC1 ZINC000618016491 ID Annotated Anodyne CCOc1ccccc1N1CCN([C@@H]2NC[C@@H]3C(=O)N(C4CCCC4)C(=O)N[C@H]3N2)CC1 ZINC000618016492 ID Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](NCCCn1ccnc1)N2Cc1cccc2ccccc12 ZINC000618016502 ID Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](NCCCn1ccnc1)N2Cc1cccc2ccccc12 ZINC000618016511 ID Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](NCCCn1ccnc1)N2Cc1cccc2ccccc12 ZINC000618016512 ID Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](NCCCn1ccnc1)N2Cc1cccc2ccccc12 ZINC000618016513 ID Annotated Anodyne COc1ccc(-c2cccc(C[C@H]3C(=O)NCCN3C(=O)CN3CSCC3=O)c2)cc1 ZINC000618017042 ID Annotated Anodyne COc1ccc(-c2cccc(C[C@@H]3C(=O)NCCN3C(=O)CN3CSCC3=O)c2)cc1 ZINC000618017045 ID Annotated Anodyne CN(C)CCSSCCNC(=O)c1ccc2nnc(NCc3ccccn3)n2c1 ZINC000618017393 ID Annotated Reactive C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000618017542 ID Annotated Reactive COCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H](C)CSSCCN(C)C)CC1 ZINC000618018225 ID Annotated Reactive CN(C=O)c1ccc(C(=O)N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)cc1 ZINC000621429233 ID Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@](C)(O)[C@]13O[C@@H]1[C@H](O)[C@@]1(CO1)[C@@]23C ZINC000621430988 ID Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@](C)(O)[C@]13O[C@@H]1[C@H](O)[C@]1(CO1)[C@]23C ZINC000621430989 ID Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@](C)(O)[C@]13O[C@@H]1[C@H](O)[C@]1(CO1)[C@@]23C ZINC000621430990 ID Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@](C)(O)[C@]13O[C@@H]1[C@H](O)[C@@]1(CO1)[C@]23C ZINC000621430991 ID Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)c4ncnn4C)c(=O)n(C)c3nc12 ZINC000621431411 ID Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)c4ncnn4C)c(=O)n(C)c3nc12 ZINC000621431412 ID Annotated Anodyne O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000621477882 ID Annotated Anodyne O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000621477883 ID Annotated Anodyne C=CS(=O)(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000621485939 ID Annotated Anodyne CCc1nc(N)nc(N)c1OCCCOc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000062611161 ID Annotated Anodyne in-vitro CCCN[C@H]1COCCN1c1nc(NNC(=O)c2ccncc2)nc(Nc2ccccc2)n1 ZINC000064251898 ID Annotated Reactive CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@]1(C)CN ZINC000064373409 ID Annotated Mild CCN1C(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21 ZINC000064436526 ID Annotated Bother CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000064436658 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000064436660 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@@H](O)[C@H](O)[C@@H]1O ZINC000064447269 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O ZINC000064447271 ID Annotated Reactive COCCn1c(COc2ccc(F)cc2)c2c(=O)n(CCN3CCOCC3)[nH]c2cc1=O ZINC000064447340 ID Annotated Anodyne CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000064448001 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000064448003 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000064448005 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000064448006 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O ZINC000064448223 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O ZINC000064448225 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000064448230 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000064448232 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@H](O)[C@H](O)[C@@H]1O ZINC000064448235 ID Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O ZINC000064448236 ID Annotated Reactive C[C@H]1O[C@@H](N(O)CCCc2ccc(N(CCCl)CCCl)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000064454196 ID Annotated Reactive C[C@H]1O[C@H](N(O)CCCc2ccc(N(CCCl)CCCl)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000064454198 ID Annotated Reactive N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2CCCO)c1 ZINC000064504076 ID Annotated Mild C/C(=C\c1cc(F)c(OCCCF)cc1F)C(=O)N[C@H]1C[C@@H]2OCO[C@@H]2[C@H](O)[C@H]1O ZINC000064513206 ID Annotated Anodyne C/C(=C\c1cc(F)c(OCCCF)cc1F)C(=O)N[C@@H]1[C@H](O)C[C@H]2OCO[C@H]2[C@@H]1O ZINC000064539367 ID Annotated Anodyne C#CCN(CCN(Cc1cncn1C)c1ccc(C#N)cc1)S(=O)(=O)c1cn(C)cn1 ZINC000064539565 ID Annotated Mild OC[C@H]1O[C@@H](Sc2nc(S)c3c4c(sc3n2)CCCCC4)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064553431 ID Annotated Anodyne CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@H]1/C(N)=N\O ZINC000064559186 ID Annotated Mild CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@H]1/C(N)=N\O ZINC000064559187 ID Annotated Mild CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@H]1/C(N)=N\OC ZINC000064559188 ID Annotated Mild CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@H]1/C(N)=N\OC ZINC000064559189 ID Annotated Mild OC[C@H]1O[C@@H](Sc2nc(S)c3c4c(sc3n2)CCCCC4)[C@H](O)[C@@H](O)[C@H]1O ZINC000064564763 ID Annotated Anodyne CC1=C(O)/C(=C\N=C(/CN2CCc3ccccc32)C(=O)O)C(COP(=O)(O)O)=CN1 ZINC000064746635 ID Annotated Mild CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1 ZINC000006577491 ID Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1 ZINC000006577492 ID Annotated Anodyne COc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 ZINC000006577765 ID Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000006577883 ID Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000006577884 ID Annotated Anodyne CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCn4c3nc3ccccc34)ccc21 ZINC000006577936 ID Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)C1 ZINC000006758267 ID Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)C1 ZINC000006758342 ID Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000006864276 ID Annotated Anodyne NC(=O)C1CCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 ZINC000006936775 ID Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H](C2)O3)c1 ZINC000065225192 ID Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@H]3CO4)nc(N3C[C@H]4OCC[C@@H]4C3)n2)cc1OC(F)F ZINC000653666588 ID Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@H]3CO4)nc(N3C[C@@H]4CCO[C@H]4C3)n2)cc1OC(F)F ZINC000653666589 ID Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@H]3CO4)nc(N3C[C@@H]4CCO[C@@H]4C3)n2)cc1OC(F)F ZINC000653666590 ID Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@H]3CO4)nc(N3C[C@H]4CCO[C@H]4C3)n2)cc1OC(F)F ZINC000653666591 ID Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)n2)C1 ZINC000653678277 ID Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)n2)C1 ZINC000653679384 ID Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4(CCOC4)C3)n2)cc1OC(F)F ZINC000653679805 ID Annotated Anodyne Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CCC3)n2)cc1OC(F)F ZINC000653681023 ID Annotated Anodyne CCc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl ZINC000653687652 ID Annotated Anodyne CC(C)NC(=O)CN1CCN(c2cc(-c3nccs3)nc(NCCC(=O)O)n2)CC1 ZINC000653697721 ID Annotated Anodyne O=c1ccc2cccc3c2n1C[C@H]3CN1CCC(NCc2cc3c(nn2)OCCO3)CC1 ZINC000653704574 ID Annotated Anodyne O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@H](c3ccccc3)O[C@H]12 ZINC000653707445 ID Annotated Anodyne O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@@H](c3ccccc3)O[C@H]12 ZINC000653707446 ID Annotated Anodyne O=C(CCCC[C@@H]1CCSS1)O[C@H]1C[C@H](n2cc(F)c(O)nc2=O)O[C@@H]1CO ZINC000653709666 ID Annotated Reactive CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(F)s3)CC2)C1 ZINC000653712996 ID Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(Cn1ccc(O)nc1=O)[C@H]2CCC1=CCOC1=O ZINC000653714260 ID Annotated Anodyne C=CC(=O)N1C[C@H](CO)[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)C1 ZINC000653718771 ID Annotated Anodyne COC(=O)N1c2c(ccc3c2OCO3)[C@]23[C@H]4N5CCC[C@]46CC[C@]12[C@](O)(C6)OC(=O)[C@H]3C5 ZINC000653719567 ID Annotated Anodyne COC(=O)N1c2c(ccc3c2OCO3)[C@@]23[C@H]4CN5CCC[C@]6(CC[C@]12[C@](O)(C6)OC4=O)[C@H]53 ZINC000653719571 ID Annotated Anodyne CN(CCc1cnn(-c2nccc3c(O)ncnc23)c1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000653720442 ID Annotated Anodyne CC[C@H]1O[C@@H]2O[C@@H]3[C@H](O)[C@@H](/C=C/C=C/c4oc(=O)cc(OC)c4C)O[C@@H]3[C@]2(C)[C@@]1(C)O ZINC000653735503 ID Annotated Anodyne CNc1nc(C)c(-c2nnc(SCc3cn(Cc4cnc(C)nc4N)nn3)n2N)s1 ZINC000653735702 ID Annotated Anodyne Cc1c(Br)c(Br)n2c1C(=O)N[C@H]1[C@@H]3NC(=O)N(C)[C@]3(O)C[C@H]12 ZINC000653735975 ID Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(C#Cc5ccccc5)c(Br)n4[C@@H]3C[C@]21O ZINC000653739248 ID Annotated Mild CO[C@@H]1CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@H]4C[C@H]3CO4)n2)C1 ZINC000653754887 ID Annotated Anodyne CO[C@H]1CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@H]4C[C@H]3CO4)n2)C1 ZINC000653754888 ID Annotated Anodyne CCCS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000653755639 ID Annotated Anodyne C[C@@H](c1c(OCCO)ccc2c1O/C(=C\c1[nH]nc3ncccc13)C2=O)N1CCNCC1 ZINC000653755686 ID Annotated Mild C[C@H](c1c(OCCO)ccc2c1O/C(=C\c1[nH]nc3ncccc13)C2=O)N1CCNCC1 ZINC000653755688 ID Annotated Mild CC(C)S(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000653755700 ID Annotated Anodyne COC1(C)CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653757379 ID Annotated Anodyne C[C@@]1(O)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653758339 ID Annotated Anodyne C[C@]1(O)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653758340 ID Annotated Anodyne CCS(=O)(=O)Nc1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000653760629 ID Annotated Anodyne N[C@H]1C[C@@H](N2Cc3[nH]nc(NS(=O)(=O)C4CC4)c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000653760660 ID Annotated Anodyne CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CNC1CC1 ZINC000653760722 ID Annotated Mild CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1CNC1CC1 ZINC000653760723 ID Annotated Mild CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@H]1CNC1CC1 ZINC000653765515 ID Annotated Mild CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@H]1CNC1CC1 ZINC000653765516 ID Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4COC[C@H]4C3)n2)cc1OC(F)F ZINC000653765536 ID Annotated Anodyne CO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@H]1CNC1CC1 ZINC000653767963 ID Annotated Mild CO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@H]1CNC1CC1 ZINC000653767964 ID Annotated Mild NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)nc2)[C@@H]2CC[C@H]1C21CC1 ZINC000653768311 ID Annotated Anodyne NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cn2)[C@@H]2C=C[C@H]1C21CC1 ZINC000653768321 ID Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(COC4)C3)n2)cc1OC(F)F ZINC000653773216 ID Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C3=O)n1 ZINC000653778082 ID Annotated Anodyne COc1ccc(-c2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C3)c(F)c1 ZINC000653779447 ID Annotated Bother COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CN4CCN(CCO)CC4)c3O)O2)cc1O ZINC000653786706 ID Annotated Clean O=C(/C=C/c1ccccc1)N[C@@H](COC(=O)[C@@H]1CCC(=O)N1)C(=O)NC1CCCCC1 ZINC000653786726 ID Annotated Anodyne CCOC(=O)C[C@@H](CC(=O)NCCN[C@H](C)c1ccc(O)c(C(=O)OC)c1)OC(C)=O ZINC000653801567 ID Annotated Anodyne O=C1CNC(=O)N1C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653802206 ID Annotated Anodyne COCCN1CCN(C(=O)c2sc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[n+]2[O-])CC1 ZINC000653803714 ID Annotated Bother CS(=O)(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653808122 ID Annotated Anodyne COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)NCC3CN(C(=O)c4ccccc4)C3)c12 ZINC000653808300 ID Annotated Anodyne COC(=O)N(C[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)c(F)c2)C(=O)O1)C(C)=O ZINC000653811075 ID Annotated Anodyne CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O ZINC000653813217 ID Annotated Anodyne O=C(N[C@@H](CO)C(=O)N1CCCC1)c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 ZINC000653813220 ID Annotated Bother CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3nccnn3)C2)s1)c1ccc(F)cc1 ZINC000653816961 ID Annotated Anodyne O=C(NO)[C@@H]1CN(c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)C(=O)CO1 ZINC000653825401 ID Annotated Mild O=C1C=C(N2CC2)C(=O)C(c2cc(-c3ccc(C(=O)NCC4CC4)s3)on2)=C1N1CC1 ZINC000653836225 ID Annotated Mild C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 ZINC000653836255 ID Annotated Anodyne C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 ZINC000653836256 ID Annotated Anodyne N[C@@H]1CC[C@@H](S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(c2)CC(=O)N4)C3)CC1 ZINC000653849270 ID Annotated Anodyne O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCNCC3)ccc2N1 ZINC000653851624 ID Annotated Anodyne COc1ccc(-n2c(OC)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653887998 ID Annotated Anodyne COc1ccc(-n2c(CO)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653894881 ID Annotated Anodyne COc1ccc2c(=O)n(Cc3cccc(NS(=O)(=O)NCCC#N)c3F)c(=O)oc2c1 ZINC000653899193 ID Annotated Mild COc1nc(NCCN2CCOCC2)c2nc(C)n(-c3ccc(OC)c(OC)c3)c2n1 ZINC000653905785 ID Annotated Anodyne COC(=O)[C@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@H]1[C@@]23O)NC(=O)OC(C)(C)C ZINC000653913859 ID Annotated Anodyne COC(=O)[C@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@@H]1[C@@]23O)NC(=O)OC(C)(C)C ZINC000653913860 ID Annotated Anodyne CC1=N/C(=N\Nc2ccc(Cl)c([N+](=O)[O-])c2)C(COP(=O)(O)O)=C(C=O)C1=O ZINC000065731356 ID Annotated Reactive in-vitro O=C(O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1 ZINC000066065998 ID Annotated Bother O=C(O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1 ZINC000066065999 ID Annotated Bother C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3cccs3)cc2)CC1)C(=O)NO ZINC000066066348 ID Annotated Mild CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccnc3)c(=O)c2OC2CCCC2)CC1 ZINC000066073861 ID Annotated Anodyne C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3ccc(F)cc3)cc2)CC1)C(=O)NO ZINC000066074510 ID Annotated Mild CC(C)(O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3ccccc3)cc2)CC1)C(=O)NO ZINC000066078981 ID Annotated Mild O=C1/C(=N\NC(=S)NO)c2cc(F)ccc2N1CN1CCN(c2ccccc2)CC1 ZINC000066079459 ID Annotated Mild CONC(=S)N/N=C1\C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccc(F)cc21 ZINC000066080037 ID Annotated Mild CONC(=S)N/N=C1\C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccc(C)cc21 ZINC000066100645 ID Annotated Mild COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@H](CO)NC3=N1 ZINC000066112591 ID Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@]23C[C@H](CO)NC3=N1 ZINC000066112592 ID Annotated Anodyne O=C1O[C@@H](CNS(=O)(=O)c2ccccc2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000066123964 ID Annotated Anodyne C=CCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(CC#CC)c1ccccc13 ZINC000066156492 ID Annotated Anodyne O=C(N[C@@]1(CO)NC(=O)c2ncn(Cc3ccccc3)c2NC1=O)OCc1ccccc1 ZINC000066166311 ID Annotated Anodyne O=C(N[C@]1(CO)NC(=O)c2ncn(Cc3ccccc3)c2NC1=O)OCc1ccccc1 ZINC000066166313 ID Annotated Anodyne CCCO[PH]1(O)OC[C@H]2O[C@@H](n3cnc4c(OCC)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000066262095 ID Annotated Anodyne CCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N5CCC5)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000066262531 ID Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(OC)c1F ZINC000068153039 ID Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(F)c(F)cc3F)C2)nc(C)c1F ZINC000068153044 ID Annotated Anodyne CC(C)(C)C[C@@H](N)C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 ZINC000068197096 ID Annotated Anodyne CC(C)CC[C@@H](O)C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 ZINC000068197105 ID Annotated Anodyne O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CC=NN1C(=O)[C@H](O)c1ccccc1 ZINC000068197108 ID Annotated Anodyne CC(C)(C)C[C@@H](O)C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 ZINC000068197110 ID Annotated Anodyne O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CC=NN1C(=O)[C@H](O)C1CCCCC1 ZINC000068197113 ID Annotated Anodyne Cc1nc(-c2ccc([C@H]3CN(c4nc(-c5ccncn5)c(O)c(=O)n4C)CCO3)cc2)no1 ZINC000068248505 ID Annotated Anodyne O=C(CN1CCOCC1)N1CCc2nc(-c3cc4cc(Cl)ccc4[nH]c3=O)[nH]c2C1 ZINC000068267325 ID Annotated Anodyne CC1(C)O[C@H]2[C@H](CO)O[C@H]3[C@]2(O1)C(=O)N1c2ccccc2C(=O)[C@@]31C1=C2C=CC=C[C+]2N=C1 ZINC000070451098 ID Annotated Mild in-vitro biogenic CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H]7O[C@@]6(OC)C[C@@](O)([C@@H]75)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 ZINC000070454122 ID Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)C[C@@]2(C)[C@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@]3(C(C)(C)O)[C@H](OC(C)=O)[C@H]12 ZINC000070454256 ID Annotated Mild in-vitro biogenic COC1=C(C)C(=O)O[C@]12C(=O)C(C)=C1[C@@H](O)CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@]132 ZINC000070454821 ID Annotated Mild in-vitro biogenic CC[C@H]1[C@@H]2C(=O)N(/C(=C\C(=O)O)[C@@H]3C[C@H](C)C(=O)O3)CCC[C@H]2O[C@]12C=C(C)C(=O)O2 ZINC000070454860 ID Annotated Anodyne in-vitro biogenic C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000070647170 ID Annotated Mild in-vitro C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1cc[n+]([O-])cc1 ZINC000071296425 ID Annotated Anodyne Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CCN)OC4=O)cc3F)cn2)n1 ZINC000071296449 ID Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCOCC(=S)N1 ZINC000071317694 ID Annotated Anodyne COc1ccc(CN2CN(CC(=O)O)c3ncc(Br)cc3S2(=O)=O)cc1 ZINC000071318249 ID Annotated Anodyne COCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1 ZINC000071318507 ID Annotated Anodyne COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1O ZINC000071329974 ID Annotated Anodyne COCCNC(=S)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071341047 ID Annotated Anodyne COc1ccc(-c2cc(C(=O)N3CCCCC3)no2)cc1S(=O)(=O)N1CCOCC1 ZINC000071928036 ID Annotated Anodyne CCN(CC)CCn1c(S)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O ZINC000071928136 ID Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC(=O)N3CCOCC3)c(OS(=O)(=O)O)cc12 ZINC000072106027 ID Annotated Anodyne CC(C)C[C@H](N)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)NO)SCCS2 ZINC000072106565 ID Annotated Bother COCCOc1cncc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NCC42CN(C)C2)c1 ZINC000072107951 ID Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000072113337 ID Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000072113338 ID Annotated Mild CCN1CCN(C[C@@H]2CN(CC(=O)Nc3cc(C)nc4ccc(OC)cc34)C(=O)O2)CC1 ZINC000072118968 ID Annotated Anodyne CCN1CCN(C[C@H]2CN(CC(=O)Nc3cc(C)nc4ccc(OC)cc34)C(=O)O2)CC1 ZINC000072118969 ID Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CN4CCN(C)CC4)OC3=O)c2c1 ZINC000072119008 ID Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CN4CCN(C)CC4)OC3=O)c2c1 ZINC000072119009 ID Annotated Anodyne O=S1(=O)C[C@@H](N2CCCC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000072127840 ID Annotated Anodyne O=S1(=O)C[C@H](N2CCCC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000072127841 ID Annotated Anodyne CCOC(=O)CNC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000072139552 ID Annotated Anodyne COCCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(C)c1ccccc13 ZINC000072142672 ID Annotated Anodyne Nc1ccn(C[C@H](O)[C@H]2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1 ZINC000072173189 ID Annotated Anodyne Nc1ncn(CC[C@]2(N)OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1 ZINC000072173415 ID Annotated Anodyne Nc1ncn(CC[C@@]2(N)OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1 ZINC000072173416 ID Annotated Anodyne O=C1O/C(=C\Cn2c(=O)[nH]c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000072173438 ID Annotated Anodyne N#Cc1c(-c2ccc(C(=O)NC[C@H](O)CO)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072176918 ID Annotated Mild N#Cc1c(-c2ccc(C(=O)NC[C@@H](O)CO)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072176919 ID Annotated Mild CN(C)CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1/C(=O)Nc2ccc(F)cc21 ZINC000072177194 ID Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1/C(=O)Nc2cc(F)ccc21 ZINC000072177195 ID Annotated Anodyne CCNS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F ZINC000072182206 ID Annotated Anodyne COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)N(C)C)c3F)cc12 ZINC000072182492 ID Annotated Anodyne CNP1(NC)=N[P@](NC)(N2CC2)=NP(NC)(NC)=N[P@](NC)(N2CC2)=N1 ZINC000072186653 ID Annotated Anodyne CS(=O)(=O)n1cc2c(n1)CN([C@H]1CS[C@H](c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 ZINC000072317935 ID Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O ZINC000073141661 ID Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(N4CCN(Cc5ccccn5)CC4)cc3OC[C@@H]12 ZINC000073142255 ID Annotated Anodyne Cc1ccnc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc4nsnc34)CC2)c1 ZINC000073142364 ID Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc4nsnc34)CC2)n1 ZINC000073142366 ID Annotated Anodyne N=C1NC(=O)/C(=C/c2cn(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)[nH]c2=O)S1 ZINC000073157450 ID Annotated Bother NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1COCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073158073 ID Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(N4CCN(Cc5ccncc5)CC4)cc3OC[C@@H]12 ZINC000073159185 ID Annotated Anodyne O=C(O)COc1ccc(Cl)cc1C#Cc1cncc(S(=O)(=O)N2CCOCC2)c1 ZINC000073159402 ID Annotated Mild CCCOCCn1c(=O)nc(NCC(=O)N(C)C)c2nnc(-c3ccc(OC)nc3)cc21 ZINC000073159466 ID Annotated Anodyne Cc1cnccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc3nsnc23)CC1 ZINC000073160124 ID Annotated Anodyne CCCOCCn1c(=O)nc(N[C@H](C)C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 ZINC000073160772 ID Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1COCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073162474 ID Annotated Anodyne O=C1[C@H](NS(=O)(=O)c2ccc(N3CCN(c4ccccc4)CC3)cc2)CC=CCN1O ZINC000073166051 ID Annotated Anodyne CCCOCCn1c(=O)nc(N2CCC(O)CC2)c2nnc(-c3ccc(OC)nc3)cc21 ZINC000073166055 ID Annotated Anodyne CCCOCCn1c(=O)nc(NCCC(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 ZINC000073166058 ID Annotated Anodyne O=C(CN1CCC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O)N1CCCC1 ZINC000073167321 ID Annotated Anodyne CCCOCCn1c(=O)nc(NC(C)(C)C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 ZINC000073195770 ID Annotated Anodyne O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2nccs2)CC1 ZINC000073196155 ID Annotated Anodyne CCOC(=O)N1CCCN(/[N+]([O-])=N/Oc2cc(OC)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000073196293 ID Annotated Clean CC(=O)NC[C@@H]1OC(=O)N2c3ccc(N4CCN(Cc5cccnc5)CC4)cc3OC[C@@H]12 ZINC000073196417 ID Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(N4CCN(Cc5ccco5)CC4)cc3OC[C@@H]12 ZINC000073196418 ID Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(N4CCN(Cc5ccoc5)CC4)cc3OC[C@@H]12 ZINC000073196419 ID Annotated Anodyne Nc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2nc(-c3ccco3)nn12 ZINC000073198884 ID Annotated Bother COc1cc(O)c2c(c1O)C(=O)[C@@]13C[C@H]4[C@@H](C[C@H]1C(C)=O)OC(=O)[C@@]4(OC)C(O)=C3C2=O ZINC000073199130 ID Annotated Mild COc1cc([C@H]2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)ccc1O ZINC000073201624 ID Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)ccc1O ZINC000073201626 ID Annotated Anodyne Cc1ccc2nsnc2c1S(=O)(=O)NCCC(=O)N1CCN(c2ccncc2)CC1 ZINC000073221191 ID Annotated Anodyne N=C(N)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000073257969 ID Annotated Mild CC(=O)O[C@H]1[C@H]2c3cc4c(cc3C(=O)N3CC=C([C@H]23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)OCO4 ZINC000073387043 ID Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000073413467 ID Annotated Anodyne CN(C)CCNC(=O)c1cccc2c(N[C@@H](CS)C(=O)O)c3ccccc3[n+](C)c12 ZINC000073417940 ID Annotated Mild Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3nc4ccccc4o3)CC2)cn1C ZINC000079105893 ID Annotated Anodyne CCN1C(C)=C(C(=O)OC)[C@H](c2ccccc2)N2C(=O)[C@](O)(C(=O)OC)CC(C#N)=C12 ZINC000008018822 ID Annotated Reactive CCN1C(C)=C(C(=O)OC)[C@@H](c2ccccc2)N2C(=O)[C@](O)(C(=O)OC)CC(C#N)=C12 ZINC000008018827 ID Annotated Reactive C[C@@H]1/C=C\CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C\CC(=O)OC[C@H]2O[C@H]1C=C[C@@H]2O ZINC000008035576 ID Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C/C=N\OC[C@@H](O)COCc2ccco2)C=C[C@@H]1OC(C)=O ZINC000008035658 ID Annotated Mild C/C(CCN1CCCc2nc(C)c(C)cc21)=N\OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O ZINC000008035674 ID Annotated Mild CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000008035786 ID Annotated Reactive O=C1[C@H]2CC[C@@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1C[C@@H]1CCCO1 ZINC000008035869 ID Annotated Mild CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@H]12 ZINC000008035893 ID Annotated Reactive O=C1[C@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1C[C@@H]1CCCO1 ZINC000008035899 ID Annotated Mild CCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1F ZINC000080228922 ID Annotated Anodyne CCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1F ZINC000080228924 ID Annotated Anodyne CCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1F ZINC000080228926 ID Annotated Anodyne CC(=O)[C@]12O[C@]13OC1=Cc4c(c(C)nn4-c4ccccc4)C(=O)[C@@]1(C)[C@]3(O)C(O)=C(C)C2=O ZINC000082052875 ID Annotated Mild CC(=O)[C@]12O[C@]13OC1=Cc4c(c(C)nn4-c4ccccc4)C(=O)[C@]1(C)[C@]3(O)C(O)=C(C)C2=O ZINC000082052876 ID Annotated Mild CC(=O)[C@]12O[C@]13OC1=Cc4c(c(C)nn4-c4ccccc4)C(=O)[C@@]1(C)[C@@]3(O)C(O)=C(C)C2=O ZINC000082052878 ID Annotated Mild CC(=O)[C@]12O[C@]13OC1=Cc4c(c(C)nn4-c4ccccc4)C(=O)[C@]1(C)[C@@]3(O)C(O)=C(C)C2=O ZINC000082052880 ID Annotated Mild NCCN(CCO)CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000082069282 ID Annotated Anodyne NCCN(CCO)CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000082069283 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCN(CCN)CCO)C3)co2)cc1 ZINC000082069326 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCN(CCN)CCO)C3)co2)cc1 ZINC000082069327 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCN(CCN)CCO)C2)co1 ZINC000082069350 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCN(CCN)CCO)C2)co1 ZINC000082069351 ID Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)OCCOCCN3CCNCC3)cc2)cs1 ZINC000082069830 ID Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN(CCN)CCO ZINC000082069928 ID Annotated Anodyne CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN(CCN)CCO ZINC000082069929 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCN(CCN)CCO)C(C)C)co2)cc1 ZINC000082069964 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCN(CCN)CCO)C(C)C)co2)cc1 ZINC000082069965 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCN(CCN)CCO)C(C)C)co1 ZINC000082069990 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCN(CCN)CCO)C(C)C)co1 ZINC000082069991 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCOCCN3CCNCC3)co2)cc1 ZINC000082070657 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCCOCCN3CCNCC3)co2)cc1 ZINC000082070658 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCOCCN2CCNCC2)co1 ZINC000082070679 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCOCCN2CCNCC2)co1 ZINC000082070680 ID Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCc2ccccc2N)cs1 ZINC000082071023 ID Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCc2ccccc2N)cs1 ZINC000082071024 ID Annotated Anodyne CCCCOCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071029 ID Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071030 ID Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCCCN2CCCC2)cs1 ZINC000082071146 ID Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCCCN2CCCC2)cs1 ZINC000082071147 ID Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)OCCN(C)C ZINC000082071211 ID Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)OCCN(C)C ZINC000082071212 ID Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)OCCN(C)C ZINC000082071235 ID Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)OCCN(C)C ZINC000082071236 ID Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082071261 ID Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082071262 ID Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCCCN(C)C)cs1 ZINC000082071263 ID Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OCCCCN(C)C)cs1 ZINC000082071264 ID Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OC[C@@H]2CCCN2C)cs1 ZINC000082071271 ID Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OC[C@@H]2CCCN2C)cs1 ZINC000082071273 ID Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OC[C@H]2CCCN2C)cs1 ZINC000082071274 ID Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OC[C@H]2CCCN2C)cs1 ZINC000082071275 ID Annotated Anodyne CCCCOCCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071276 ID Annotated Anodyne CCCCOCCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071277 ID Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCc2ccccn2)cs1 ZINC000082071278 ID Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OCCc2ccccn2)cs1 ZINC000082071279 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCN(CCN)CCO)co2)cc1 ZINC000082072699 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCN(CCN)CCO)co2)cc1 ZINC000082072702 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCCN(CCN)CCO)co1 ZINC000082072764 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OCCN(CCN)CCO)co1 ZINC000082072766 ID Annotated Anodyne CN(CC(=O)OCCOCCN1CCNCC1)C(=O)c1csc(-c2ccccc2)n1 ZINC000082073836 ID Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCOCCN3CCNCC3)co2)cc1 ZINC000082073890 ID Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCOCCN2CCNCC2)co1 ZINC000082073915 ID Annotated Anodyne COc1cc([C@H](O)c2nc(/C(O)=N/CCN3CCOCC3)cs2)cc(OC)c1OC ZINC000082079733 ID Annotated Mild COc1cc([C@@H](O)c2nc(/C(O)=N/CCN3CCOCC3)cs2)cc(OC)c1OC ZINC000082079735 ID Annotated Mild NCCN(CCO)CCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081237 ID Annotated Anodyne NCCN(CCO)CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081238 ID Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082081987 ID Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082081990 ID Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082081993 ID Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082081995 ID Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN(CCN)CCO ZINC000082082206 ID Annotated Anodyne CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN(CCN)CCO ZINC000082082207 ID Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCN(C)CC1 ZINC000082082380 ID Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCN(C)CC1 ZINC000082082381 ID Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCOCCN(C)C ZINC000082082510 ID Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCOCCN(C)C ZINC000082082511 ID Annotated Anodyne C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082082830 ID Annotated Bother C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082082832 ID Annotated Bother C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082082833 ID Annotated Bother C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082082835 ID Annotated Bother C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN(CCN)CCO ZINC000082082898 ID Annotated Anodyne C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN(CCN)CCO ZINC000082082900 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)N[C@@H]3CCCCNC3=O)cs2)c1 ZINC000082082965 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)N[C@@H]3CCCCNC3=O)cs2)c1 ZINC000082082966 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)N[C@H]3CCCCNC3=O)cs2)c1 ZINC000082082967 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)N[C@H]3CCCCNC3=O)cs2)c1 ZINC000082082970 ID Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082083046 ID Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082083047 ID Annotated Bother C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082083048 ID Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082083049 ID Annotated Bother C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN(CCN)CCO ZINC000082083059 ID Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN(CCN)CCO ZINC000082083061 ID Annotated Anodyne C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCOCCN(C)C ZINC000082083643 ID Annotated Bother C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCOCCN(C)C ZINC000082083646 ID Annotated Bother C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCOCCN(C)C ZINC000082083951 ID Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCOCCN(C)C ZINC000082083952 ID Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)O)cs2)c1 ZINC000082084119 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)O)cs2)c1 ZINC000082084120 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CO)CSCNC(C)=O)cs2)c1 ZINC000082084121 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CO)CSCNC(C)=O)cs2)c1 ZINC000082084124 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CSCNC(C)=O)C(N)=O)cs2)c1 ZINC000082084242 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CSCNC(C)=O)C(N)=O)cs2)c1 ZINC000082084243 ID Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN ZINC000082084303 ID Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN ZINC000082084304 ID Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(C)C ZINC000082084389 ID Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(C)C ZINC000082084390 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)N[C@@H]3CCCCNC3=O)cs2)c1 ZINC000082084787 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)N[C@H]3CCCCNC3=O)cs2)c1 ZINC000082084788 ID Annotated Anodyne NCCN(CCO)CCOC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084816 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)OCCOCCN(C)C)cs2)c1 ZINC000082084957 ID Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085116 ID Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085117 ID Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085118 ID Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085119 ID Annotated Anodyne CN1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2coc(-c3cccs3)n2)CC1 ZINC000082085360 ID Annotated Anodyne CN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2coc(-c3cccs3)n2)CC1 ZINC000082085361 ID Annotated Anodyne O=C(OCCOCCN1CCNCC1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085362 ID Annotated Anodyne O=C(OCCOCCN1CCNCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085363 ID Annotated Anodyne CN(C)CCOCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085452 ID Annotated Anodyne CN(C)CCOCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085453 ID Annotated Anodyne CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085614 ID Annotated Bother CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085615 ID Annotated Bother CN(CC(=O)OCCN(CCN)CCO)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085631 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)N[C@@H]3CCCCNC3=O)cs2)c1 ZINC000082085650 ID Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)N[C@H]3CCCCNC3=O)cs2)c1 ZINC000082085651 ID Annotated Anodyne CN(CC(=O)OCCN(CCN)CCO)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085669 ID Annotated Anodyne CN(C)CCOCCOC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085767 ID Annotated Bother CN(C)CCOCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085826 ID Annotated Bother CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082089353 ID Annotated Bother CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082089359 ID Annotated Bother COc1cc2nc(NCCCCNC(=O)C(N)=O)nc(NCc3ccco3)c2cc1OC ZINC000082118580 ID Annotated Anodyne COc1cc2nc(NCCCNC(=O)C(N)=O)nc(NCc3ccco3)c2cc1OC ZINC000082118786 ID Annotated Anodyne COCC(=O)NCC(C)(C)CNc1nc(NC[C@H](C)O)c2cc(OC)c(OC)cc2n1 ZINC000082119497 ID Annotated Anodyne COCC(=O)NCC(C)(C)CNc1nc(NC[C@@H](C)O)c2cc(OC)c(OC)cc2n1 ZINC000082119498 ID Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134751 ID Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134753 ID Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccco1 ZINC000082142707 ID Annotated Anodyne COCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148111 ID Annotated Bother COCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148254 ID Annotated Bother COCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148259 ID Annotated Bother COCCNc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149799 ID Annotated Bother COCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150130 ID Annotated Bother Nc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2nc(-c3ccco3)nn12 ZINC000082154614 ID Annotated Anodyne Cn1c(=O)c2c(ccn2CC(=O)Nc2cccc(I)c2)n(C)c1=O ZINC000082155451 ID Annotated Anodyne C[C@H](CC(=O)N1CCN(c2ccncc2)CC1)NS(=O)(=O)c1cccc2nonc12 ZINC000082158433 ID Annotated Anodyne C[C@@H](CC(=O)N1CCN(c2ccncc2)CC1)NS(=O)(=O)c1cccc2nonc12 ZINC000082158434 ID Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082164968 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082164971 ID Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000082164974 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000082164976 ID Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165614 ID Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165616 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165621 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165622 ID Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165625 ID Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165626 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082165815 ID Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082165817 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082165819 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082165821 ID Annotated Mild CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082166069 ID Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082166071 ID Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082166073 ID Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082166075 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000082166087 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000082166089 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000082166090 ID Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000082166093 ID Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166281 ID Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166285 ID Annotated Anodyne CS[C@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166289 ID Annotated Anodyne CS[C@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166290 ID Annotated Anodyne CS[C@@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166293 ID Annotated Anodyne CS[C@@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166297 ID Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166671 ID Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166674 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000082167525 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000082167526 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000082167527 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000082167529 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082167587 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082167590 ID Annotated Mild NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCO ZINC000082191247 ID Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N)C(=O)c1ccccc1 ZINC000082193044 ID Annotated Mild CN(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N)C(=O)c1ccccc1 ZINC000082193047 ID Annotated Mild CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N)C(=O)c1ccccc1 ZINC000082193053 ID Annotated Mild CN(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N)C(=O)c1ccccc1 ZINC000082193059 ID Annotated Mild COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)CC(=O)OC)C3 ZINC000082196004 ID Annotated Anodyne COC(=O)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196026 ID Annotated Anodyne CCOC(=O)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196139 ID Annotated Anodyne CCOC(=O)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196151 ID Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)COC(C)=O)C3 ZINC000082196328 ID Annotated Anodyne CC(=O)OCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196353 ID Annotated Anodyne CC[C@@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(C)=O)CC3 ZINC000082196387 ID Annotated Anodyne CC[C@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(C)=O)CC3 ZINC000082196388 ID Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@@H](CC)COC)C1 ZINC000082196391 ID Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@H](CC)COC)C1 ZINC000082196392 ID Annotated Anodyne O=C(Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CC1)CC3)N1CCOCC1 ZINC000082196443 ID Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N2CCOCC2)C1 ZINC000082196444 ID Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCO ZINC000082197274 ID Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCO ZINC000082197275 ID Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCO ZINC000082197276 ID Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCO ZINC000082197277 ID Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199198 ID Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199199 ID Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199200 ID Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000082199201 ID Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199420 ID Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199421 ID Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199422 ID Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082199423 ID Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cccnc2SC)C1 ZINC000082199512 ID Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cccnc2SC)C1 ZINC000082199513 ID Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cccnc2SC)C1 ZINC000082199514 ID Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cccnc2SC)C1 ZINC000082199515 ID Annotated Anodyne CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N2CCOCC2)C1 ZINC000082201592 ID Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204909 ID Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000082204971 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205049 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205054 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205058 ID Annotated Anodyne O=C(Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)C[C@H](Cc1ccccc1)N2)C1CC1 ZINC000082205373 ID Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205374 ID Annotated Mild NCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205479 ID Annotated Anodyne COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205517 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205551 ID Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205581 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205724 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205850 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205857 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206456 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206458 ID Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206780 ID Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206782 ID Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206840 ID Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206842 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@@H](C)N2 ZINC000082207059 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](C)N2 ZINC000082207061 ID Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207837 ID Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207839 ID Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208542 ID Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208546 ID Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1CCN1CCOCC1)[C@H](c1ccccc1)CN2 ZINC000082208620 ID Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1CCN1CCOCC1)[C@@H](c1ccccc1)CN2 ZINC000082208621 ID Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1CCN1CCOCC1)[C@H](c1ccccc1)CN2 ZINC000082208647 ID Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1CCN1CCOCC1)[C@@H](c1ccccc1)CN2 ZINC000082208650 ID Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082208789 ID Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082208790 ID Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209369 ID Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209370 ID Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209516 ID Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209543 ID Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209548 ID Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCO)c1 ZINC000082209593 ID Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCO)c1 ZINC000082209597 ID Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCO)c1 ZINC000082209601 ID Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCO)c1 ZINC000082209603 ID Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209635 ID Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209639 ID Annotated Anodyne O=C(Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 ZINC000082210014 ID Annotated Anodyne O=C(Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 ZINC000082210017 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210054 ID Annotated Anodyne COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210377 ID Annotated Anodyne COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210403 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210527 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210532 ID Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210582 ID Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210587 ID Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@H](C)CN3)cc1 ZINC000082210838 ID Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@@H](C)CN3)cc1 ZINC000082210843 ID Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210884 ID Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210958 ID Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210961 ID Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO)C(=O)c1ccccc1 ZINC000082210967 ID Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO)C(=O)c1ccccc1 ZINC000082210970 ID Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO)C(=O)c1ccccc1 ZINC000082210973 ID Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO)C(=O)c1ccccc1 ZINC000082210976 ID Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO)OCC ZINC000082211037 ID Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO)OCC ZINC000082211040 ID Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO)OCC ZINC000082211046 ID Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO)OCC ZINC000082211052 ID Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000082211431 ID Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000082211436 ID Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000082211441 ID Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)C1 ZINC000082211444 ID Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@H](C)CN3)cc1 ZINC000082211580 ID Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@@H](C)CN3)cc1 ZINC000082211583 ID Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@H](C)CN3)cc1 ZINC000082211601 ID Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@@H](C)CN3)cc1 ZINC000082211604 ID Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN4CCOCC4)c2=O)[C@H](C)CN3)cc1 ZINC000082211698 ID Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN4CCOCC4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211701 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082212056 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082212066 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212068 ID Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082214398 ID Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082214399 ID Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082214400 ID Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082216951 ID Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082216952 ID Annotated Bother CC(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N2CCOCC2)C1 ZINC000082222920 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224224 ID Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224228 ID Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235204 ID Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235205 ID Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235206 ID Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235207 ID Annotated Anodyne CS[C@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235208 ID Annotated Anodyne CS[C@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235209 ID Annotated Anodyne CS[C@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235210 ID Annotated Anodyne CS[C@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235211 ID Annotated Anodyne C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235339 ID Annotated Anodyne C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235340 ID Annotated Anodyne C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235341 ID Annotated Anodyne C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235342 ID Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235347 ID Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235348 ID Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235349 ID Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235350 ID Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082235403 ID Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082235404 ID Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082235405 ID Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082235406 ID Annotated Anodyne CS[C@@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235428 ID Annotated Anodyne CS[C@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235429 ID Annotated Anodyne CS[C@@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235430 ID Annotated Anodyne CS[C@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235431 ID Annotated Anodyne O=C1CN([C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)C(=O)c2ccccc2N1 ZINC000082235432 ID Annotated Anodyne O=C1CN([C@H](C(=O)NCCN2CCOCC2)C2CCCCC2)C(=O)c2ccccc2N1 ZINC000082235437 ID Annotated Anodyne O=C1CN([C@@H](C(=O)NCCN2CCOCC2)C2CCCCC2)C(=O)c2ccccc2N1 ZINC000082235438 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235441 ID Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235442 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235443 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235444 ID Annotated Mild CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235457 ID Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235458 ID Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235459 ID Annotated Anodyne CC(C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082235460 ID Annotated Anodyne O=C1CN([C@H](C(=O)NCCN2CCOCC2)[C@H]2CC=CCC2)C(=O)c2ccccc2N1 ZINC000082235521 ID Annotated Anodyne O=C1CN([C@@H](C(=O)NCCN2CCOCC2)[C@H]2CC=CCC2)C(=O)c2ccccc2N1 ZINC000082235522 ID Annotated Anodyne O=C1CN([C@H](C(=O)NCCN2CCOCC2)[C@@H]2CC=CCC2)C(=O)c2ccccc2N1 ZINC000082235523 ID Annotated Anodyne O=C1CN([C@@H](C(=O)NCCN2CCOCC2)[C@@H]2CC=CCC2)C(=O)c2ccccc2N1 ZINC000082235524 ID Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235542 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235543 ID Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235544 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235545 ID Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235553 ID Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235554 ID Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235555 ID Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235556 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235823 ID Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235824 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235825 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235826 ID Annotated Mild CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235958 ID Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235959 ID Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235960 ID Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235961 ID Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235966 ID Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235967 ID Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235968 ID Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235969 ID Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236042 ID Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236043 ID Annotated Anodyne CS[C@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236044 ID Annotated Anodyne CS[C@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236045 ID Annotated Anodyne CS[C@@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236046 ID Annotated Anodyne CS[C@@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236047 ID Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236141 ID Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236142 ID Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082236469 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082236470 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236533 ID Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000082236534 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236535 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000082236536 ID Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236614 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236615 ID Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000082236616 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000082236617 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236693 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236694 ID Annotated Mild CCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236767 ID Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236768 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082236826 ID Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000082236827 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082236828 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000082236829 ID Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082236913 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082236914 ID Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000082236915 ID Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000082236916 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082236994 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082236995 ID Annotated Mild CCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237079 ID Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237080 ID Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237081 ID Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237082 ID Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082237140 ID Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000082237141 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082237142 ID Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000082237143 ID Annotated Mild Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)[C@H](C)C(=O)N2 ZINC000082237156 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)[C@@H](C)C(=O)N2 ZINC000082237157 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)[C@H](C)C(=O)N2 ZINC000082237158 ID Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)[C@@H](C)C(=O)N2 ZINC000082237159 ID Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082237200 ID Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082237201 ID Annotated Anodyne C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000083317438 ID Annotated Mild C[C@H]1O[C@H]([C@@H]2CC=CC3=Nc4c5c(c6c(c4=C32)=CN=C6)C2=CC(=O)CCC2=N5)C[C@H](O)[C@@H]1O ZINC000083921541 ID Annotated Mild in-vitro C[C@H]1O[C@H]([C@H]2CC=CC3=Nc4c5c(c6c(c4=C32)=CN=C6)C2=CC(=O)CCC2=N5)C[C@H](O)[C@@H]1O ZINC000083921545 ID Annotated Mild in-vitro C[C@H]1O[C@@H]2CC(=O)O[C@H]2C2=C1C(=O)c1cc([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)ccc1C2=O ZINC000083922506 ID Annotated Mild in-vitro C[C@H]1O[C@@H]2CC(=O)O[C@H]2C2=C1C(=O)c1cc([C@@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)ccc1C2=O ZINC000083922508 ID Annotated Mild in-vitro C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 ZINC000084154672 ID Annotated Mild in-vitro biogenic C=CCCOc1cc2c(c(OCCC=C)c1OC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000084596713 ID Annotated Mild COc1ccc2[nH]c(=O)c(-c3nc4c([nH]3)CCN(C(=O)CN3CCN(C)CC3)C4)cc2c1 ZINC000084596894 ID Annotated Anodyne COc1ccc(CC2=NN3C(=NN(C(C)=O)[C@@]3(C)c3ccccc3)N(NC(C)=O)C2=O)cc1 ZINC000084597014 ID Annotated Anodyne COc1ccc(CC2=NN3C(=NN(C(C)=O)[C@]3(C)c3ccccc3)N(NC(C)=O)C2=O)cc1 ZINC000084597015 ID Annotated Anodyne COC(=O)CN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1=O)OCO3 ZINC000084603430 ID Annotated Anodyne CCC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000084619353 ID Annotated Clean CS(=O)(=O)c1ccc(Cc2nnc3n2N=C(c2ccc(O)c(C(N)=O)c2)CS3)cc1 ZINC000084652337 ID Annotated Clean COC1=C[C@@]23CCN(S(C)(=O)=O)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=CC1=O ZINC000084653737 ID Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2cc(NCCO)ncn2)c1F ZINC000084668842 ID Annotated Anodyne C[C@H]1O[C@@H](n2cc(F)c(NC(=O)Oc3ccc([N+](=O)[O-])cc3)nc2=O)[C@@H]2OC(=O)O[C@H]12 ZINC000084670106 ID Annotated Reactive O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1C[C@@H]2CN(c3ccncc3)C[C@@H]2C1 ZINC000084671710 ID Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1C[C@H]2CN(c3ccncc3)C[C@@H]2C1 ZINC000084671711 ID Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1C[C@@H]2CN(c3ccncc3)C[C@H]2C1 ZINC000084671712 ID Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1C[C@@H]2CN(c3ccncc3)C[C@@H]2C1 ZINC000084671713 ID Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1C[C@H]2CN(c3ccncc3)C[C@@H]2C1 ZINC000084671714 ID Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1C[C@@H]2CN(c3ccncc3)C[C@H]2C1 ZINC000084671715 ID Annotated Anodyne O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)CCc1n[nH]c(=O)n1-2 ZINC000084689256 ID Annotated Anodyne N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4c(s3)COCC4)CC2)CC1 ZINC000084707317 ID Annotated Mild CCOC(=O)[C@]1(n2ccc(NC(C)=O)nc2=O)C[C@H](P(=O)(OCC)OCC)N(C)O1 ZINC000084711199 ID Annotated Anodyne CCOC(=O)[C@@]1(n2ccc(NC(C)=O)nc2=O)C[C@H](P(=O)(OCC)OCC)N(C)O1 ZINC000084723590 ID Annotated Anodyne CCOC(=O)Cc1nnc2n(Cc3ccccc3)c(=O)c3c(C)c(C(N)=O)sc3n12 ZINC000084727693 ID Annotated Anodyne NC(=O)c1ncn(CC[C@]2(O)NC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)n1 ZINC000084728855 ID Annotated Anodyne NC(=O)c1ncn(CC[C@@]2(O)NC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)n1 ZINC000084728858 ID Annotated Anodyne O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ncccn2)CC1 ZINC000084731879 ID Annotated Anodyne Cc1cn(CC(=O)N2[C@H](C(=O)NC(C)(C)C)CS[C@@H]2c2ccccc2)c(=O)[nH]c1=O ZINC000084739595 ID Annotated Anodyne Cc1cn(CC(=O)N2[C@H](c3ccccc3)SC[C@H]2C(=O)NC(C)(C)C)c(=O)[nH]c1=O ZINC000084739597 ID Annotated Anodyne O=C(O)CNC(=O)c1cc(I)cc(I)c1 ZINC000084742082 ID Annotated Anodyne in-man Cc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNCc1ccccc1)COC/C=C/CCNC2=O ZINC000084757840 ID Annotated Anodyne N[C@@H](CC(=O)c1cccc2c1N[C@@H]1C(=CC(=O)c3nc(C(=O)O)cc(O)c31)O2)C(=O)O ZINC000008576305 ID Annotated Mild in-vitro N[C@H](CC(=O)c1cccc2c1N[C@@H]1C(=CC(=O)c3nc(C(=O)O)cc(O)c31)O2)C(=O)O ZINC000008576306 ID Annotated Mild in-vitro N[C@@H](CC(=O)c1cccc2c1N[C@H]1C(=CC(=O)c3nc(C(=O)O)cc(O)c31)O2)C(=O)O ZINC000008576309 ID Annotated Mild in-vitro N[C@H](CC(=O)c1cccc2c1N[C@H]1C(=CC(=O)c3nc(C(=O)O)cc(O)c31)O2)C(=O)O ZINC000008576311 ID Annotated Mild in-vitro Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)CC2)c1 ZINC000008597145 ID Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)CO2 ZINC000008598418 ID Annotated Anodyne Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1C ZINC000008599053 ID Annotated Anodyne CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OC)cc(OC)c3)ccc21 ZINC000008599083 ID Annotated Anodyne COc1ccc(N2CCN(C(=O)CS(=O)(=O)c3cccc4nsnc34)CC2)cc1 ZINC000008600705 ID Annotated Clean CCOC(=O)Cn1c(=O)n(C[C@@H]2CCCO2)c2nc(-c3ccccc3F)nc(C(N)=O)c21 ZINC000008610622 ID Annotated Anodyne CCOC(=O)Cn1c(=O)n(C[C@H]2CCCO2)c2nc(-c3ccccc3F)nc(C(N)=O)c21 ZINC000008610624 ID Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@H]2[C@@]2(C)/C(=N/CC(=O)OC)OC(=O)N2C1=O ZINC000008679881 ID Annotated Mild CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1cccc2nsnc12 ZINC000008680471 ID Annotated Anodyne NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccco2)c1N ZINC000008680650 ID Annotated Anodyne NC(=O)CNC(=O)[C@@H]1C[C@@]2(CC(c3ccc(Cl)cc3)=NO2)CN1C(=O)c1ccccc1 ZINC000008691380 ID Annotated Anodyne COCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000008812672 ID Annotated Anodyne O=c1nc2n(c(O)c1[C@@H](c1ccccc1)c1c(O)nc3n(c1=O)CCS3)CCS2 ZINC000008829260 ID Annotated Anodyne O=c1nc2n(c(O)c1[C@H](c1ccccc1)c1c(O)nc3n(c1=O)CCS3)CCS2 ZINC000008829261 ID Annotated Anodyne Cn1c(N)c(C(=O)COC(=O)c2cc(C(F)(F)F)nc3ccccc23)c(=O)n(C)c1=O ZINC000008830528 ID Annotated Anodyne COc1ccccc1CNC(=O)c1ccc(C/N=c2/c(N3CCOCC3)c(O)c2=O)cc1 ZINC000008912329 ID Annotated Anodyne C[C@@H]1N[C@H](C[C@@H](CC=O)CCCCCCC[C@@H](O)CC(=O)O)[C@@H]([N+]2=CC=N[CH+]2)C[C@H]1O ZINC000085488194 ID Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](CCCCCC[C@H](CO)CC[C@@H](O)CC(=O)O)[C@@H]([N+]2=CC=N[CH+]2)C[C@H]1O ZINC000085488208 ID Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C=C(/CCC[C@H](O)[C@H](CCC(=O)O)NCC)C[C@H](O)CO ZINC000085490832 ID Annotated Anodyne in-vitro biogenic CNC[C@@](O)(CCCCCCCCC[C@H]1N[C@@H](C)[C@H](O)C[C@@H]1[N+]1=CC=N[CH+]1)CC(=O)O ZINC000085495436 ID Annotated Mild in-vitro biogenic COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(O)c1O ZINC000085531479 ID Annotated Clean in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(COC(C)=O)[C@@H](CC3=O)OCC(C)(C)[C@H]1COC(C)=O ZINC000085531856 ID Annotated Mild in-vitro biogenic CC[C@@]1(O)CC[C@H]2CC=C3O/C(=C4\OC(=O)C(CO)=C4OC)[C@@H](CO)[C@@H]3[C@@H]3CCC[C@@H]1N23 ZINC000085532432 ID Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1CCC[C@@]23C=C[C@@H](C=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](CO)[C@@H]42)CN13 ZINC000085532462 ID Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1[C@@H]2CC[C@H]3CC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](CO)[C@@H]4[C@H](CC2)N31 ZINC000085532466 ID Annotated Anodyne in-vitro biogenic CC[C@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@H]1C(=O)OC)[C@@H]32 ZINC000085541641 ID Annotated Anodyne in-vitro biogenic CC1(C)CC[C@@H](O)[C@@]2(CO)[C@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542237 ID Annotated Mild in-vitro biogenic CC1(C)OC(=O)C=C[C@]12CC[C@]13C[C@]4(C)C(=O)[C@](C)(C[C@H]1[C@@]2(C)O)[C@]31COC(=O)[C@H]1[C@H]4O ZINC000085544146 ID Annotated Anodyne CO[C@H]1C(O)=C(C(C)=O)C(=O)[C@@]2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)C[C@@H]12 ZINC000085558356 ID Annotated Mild C=C1C(=O)[C@]23O[C@@H]2[C@H]1CCC(=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000085562475 ID Annotated Mild in-vitro biogenic CC(C)CCc1ccc2ncc(OC(=O)[C@@H]3O[C@@](O)(C4(O)CCCC4)[C@H](O)[C@H]3O)[c-]2c1 ZINC000085569270 ID Annotated Anodyne in-vitro biogenic NC(N)=NCCc1cc(O)ccc1-c1oc2cc(O)cc(OCCCO)c2c(=O)c1O ZINC000085569492 ID Annotated Mild in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc([C@H](O)CCN=C(N)N)cc(=O)c3c2OC2CCCC2)O1 ZINC000085594450 ID Annotated Mild in-vitro biogenic C=C1C=C(C(=O)OCC)Oc2cc3c(c(OCCCN=C(N)N)c21)C[C@@H](C(C)(C)O)O3 ZINC000085595066 ID Annotated Mild in-vitro biogenic COc1cc(/C=C(\CC(C)C)C(=O)O[C@H]2[C@H](O)O[C@@H](C)[C@H](O)[C@H]2OC(C)=O)ccc1O ZINC000085595431 ID Annotated Anodyne in-vitro biogenic C[C@]1([C@H](O)COS(=O)(=O)O)CC[C@@]2(O)C(=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@@H]34)C1 ZINC000085598687 ID Annotated Anodyne CC[C@@]1(O)C[C@H](O)c2cc3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O ZINC000085599129 ID Annotated Clean C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H]2C(=O)N[C@](C)(O1)c1nc3ccccc3c(=O)n12 ZINC000085601254 ID Annotated Anodyne O=C1CCc2ccc(O)c(OCO)c2C#CCc2cc(cc(OCO)c2O)CC[C@@H](O)C1 ZINC000085626635 ID Annotated Mild in-vitro biogenic CNC(=N)N[C@H](CCCC(=O)CC(=O)CCc1ccc(O)c(OC)c1)CC[n+]1cc[nH]c1 ZINC000085627082 ID Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O)[C@H](C)O ZINC000085628374 ID Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@H](O)[C@](O)(CO)[C@]2(C)[C@@H](O)C[C@@H](C)[C@](C)(C[C@H](O)c3ccoc3)[C@@H]12 ZINC000085668936 ID Annotated Anodyne in-vitro biogenic CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@]2(C)C=C1 ZINC000085729736 ID Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@]2(C)C=C1 ZINC000085729740 ID Annotated Anodyne in-man C/C=C(/C=C(C)/C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000085794248 ID Annotated Mild in-man endogenous C/C=C(/C=C(C)/C=C(C)\C=C\C=C(/C)C(=O)[C@@]12O[C@@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000085794254 ID Annotated Mild in-man CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1[C@@H]2C1=C(N)C(=O)NC1=O)OCO4)OCO3 ZINC000085916780 ID Annotated Anodyne in-vitro biogenic CN1CCc2cc3c(cc2[C@]12Cc1ccc4c(c1[C@@H]2C1=C(N)C(=O)NC1=O)OCO4)OCO3 ZINC000085916784 ID Annotated Anodyne COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)ccc1O ZINC000085964354 ID Annotated Anodyne in-man COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)ccc1O ZINC000085964362 ID Annotated Anodyne in-man COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)ccc1O ZINC000085964366 ID Annotated Anodyne in-man COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)ccc1O ZINC000085964371 ID Annotated Anodyne in-man CC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1O ZINC000085974910 ID Annotated Anodyne C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)CN2C(=O)c3ccccc3C2=O)C1=O ZINC000089914288 ID Annotated Anodyne C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)CN2C(=O)c3ccccc3C2=O)C1=O ZINC000089914289 ID Annotated Anodyne CC[C@@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC ZINC000009214638 ID Annotated Clean O=C(C1CCN(c2nnc(N3CCCC3=O)s2)CC1)N1CCN(c2ccccn2)CC1 ZINC000009287505 ID Annotated Anodyne Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)CCC(=O)N3CCCc4ccccc43)ccc21 ZINC000009407860 ID Annotated Anodyne O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCc2ccccc21 ZINC000009408077 ID Annotated Anodyne COCCCn1c(=O)c2sccc2n2c(CCCC(=O)NC[C@@H]3CCCO3)nnc12 ZINC000009431348 ID Annotated Anodyne COCCCn1c(=O)c2sccc2n2c(CCCC(=O)NC[C@H]3CCCO3)nnc12 ZINC000009431350 ID Annotated Anodyne CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)N3CCC(C(N)=O)CC3)nnc12 ZINC000009431534 ID Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC(=O)N1CCc1ccccc1 ZINC000009432338 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CNC(=O)c1cccs1 ZINC000009466175 ID Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCOCC3)c(=O)c2c1 ZINC000009490116 ID Annotated Anodyne CN(C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)C1CCCCC1 ZINC000009490129 ID Annotated Anodyne COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)NC(=O)c2cccn2C)C(C)C)c1 ZINC000009493391 ID Annotated Anodyne C=CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000009539860 ID Annotated Mild COc1ccc(-n2nnnc2CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000009570416 ID Annotated Clean COc1ccc(-n2nnnc2CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000009570418 ID Annotated Clean Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000009686102 ID Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4ccccn4)c(=O)c3c2)CC1 ZINC000009778605 ID Annotated Anodyne CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000009960592 ID Annotated Bother Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 ZINC000009961386 ID Annotated Anodyne C[C@H]1O[C@@H](OC2=Cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3[C@H](O)C2)[C@H](O)[C@H](O)[C@H]1C ZINC000095099456 ID Annotated Anodyne in-vitro biogenic C[C@H]1O[C@H](OC2=Cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3[C@H](O)C2)[C@H](O)[C@H](O)[C@H]1C ZINC000095099458 ID Annotated Anodyne in-vitro biogenic C[C@@H]1O[C@@H](OC2=Cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3[C@H](O)C2)[C@H](O)[C@H](O)[C@H]1C ZINC000095099459 ID Annotated Anodyne in-vitro biogenic C[C@@H]1O[C@H](OC2=Cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3[C@H](O)C2)[C@H](O)[C@H](O)[C@H]1C ZINC000095099462 ID Annotated Anodyne in-vitro biogenic C=C[C@H]1C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000095547294 ID Annotated Mild Cc1ccc(NC(=O)/C(=N/NC(=O)CC#N)[C@H]2C(=O)N(c3ccccc3)N=C2N)cc1C ZINC000095551091 ID Annotated Reactive NC(N)=NC(=O)c1ccc(C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c(C(F)(F)F)c1 ZINC000095554771 ID Annotated Mild C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1 ZINC000095560091 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F ZINC000095561418 ID Annotated Anodyne COC(=O)[C@@H](N)CSC(=O)/C(=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(C)=O ZINC000095561914 ID Annotated Mild O=C(O)CNS(=O)(=O)c1cc(O)c(O)c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095563625 ID Annotated Clean NS(=O)(=O)c1cn(Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)ccc1=O ZINC000095563739 ID Annotated Anodyne O=S1(=O)C[C@@H](N2CCCC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000095569539 ID Annotated Anodyne O=S1(=O)C[C@H](N2CCCC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000095569540 ID Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3cccnc3)c2)OC1(C)C ZINC000095575583 ID Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccc(O)cc3)c2)OC1(C)C ZINC000095576747 ID Annotated Anodyne N#Cc1cccnc1N1CCC(NC(=O)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)CC1 ZINC000095578668 ID Annotated Mild O=C1NC(=O)C(=Cc2ccc(OC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)cc2)C(=O)N1 ZINC000095579282 ID Annotated Clean CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccncc3)c2)OC1(C)C ZINC000095580653 ID Annotated Anodyne CC(C)N1CCN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)C(=O)C1 ZINC000095584628 ID Annotated Anodyne CCOC(=O)C[n+]1c(I)c(I)n(C)c1C ZINC000095587581 ID Annotated Mild C=C1[C@@H]2C[C@H](OC(C)=O)[C@H]3[C@]4(C)[C@@H](OC(C)=O)C[C@H](O)C(C)(C)[C@H]4C[C@H](O)[C@]3(C2)[C@@H]1O ZINC000095592832 ID Annotated Mild CN(C)CCn1nc2c3c(c(NCCOS(C)(=O)=O)ccc31)C(=O)c1ccncc1-2 ZINC000095592884 ID Annotated Mild CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC[C@@H]1NC ZINC000095592986 ID Annotated Mild CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC[C@H]1NC ZINC000095592987 ID Annotated Mild O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccnnc3)ncnc12 ZINC000095593147 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cn(-n2cccn2)c2cncnc12 ZINC000095593500 ID Annotated Anodyne Cc1cnn(-c2ncnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)c1 ZINC000095593862 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cc[nH]n3)ncnc12 ZINC000095595009 ID Annotated Anodyne Cc1ccn(-c2ncnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1 ZINC000095596250 ID Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cncnc3)ncnc12 ZINC000095596840 ID Annotated Anodyne CCOC(=O)[C@@H]1CC(n2ccc(=O)n(C(=O)c3ccccc3)c2=O)C[C@H]1C(=O)OCC ZINC000095596881 ID Annotated Anodyne CCOC(=O)[C@@H]1CC(n2cc(C)c(=O)n(C(=O)c3ccccc3)c2=O)C[C@H]1C(=O)OCC ZINC000095597077 ID Annotated Anodyne Cc1ncn(-c2ncnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1 ZINC000095597135 ID Annotated Anodyne CC(=O)OC[C@@H]1CC(n2cc(C)c(=O)n(C(=O)c3ccccc3)c2=O)C[C@H]1COC(C)=O ZINC000095597557 ID Annotated Anodyne CC(=O)OC[C@@H]1CC(n2ccc(=O)n(C(=O)c3ccccc3)c2=O)C[C@H]1COC(C)=O ZINC000095598112 ID Annotated Anodyne COC(=O)C1(C(=O)OC)C/C=C\CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000095599881 ID Annotated Bother C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095599996 ID Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095600496 ID Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000095600497 ID Annotated Anodyne [O-][n+]1ccc(COc2ccc3c(c2)n2ncc(I)c2n[n+]3[O-])cc1 ZINC000095601115 ID Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095602685 ID Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095602686 ID Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095603459 ID Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095603460 ID Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095604089 ID Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000095604629 ID Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccc(F)cc1 ZINC000095604630 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)C1CCCCC1 ZINC000095604902 ID Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CCc1ccccc1 ZINC000095605167 ID Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CCc1ccccc1 ZINC000095605168 ID Annotated Anodyne COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@H](/N=C(\NC#N)NCc2ccccc2)[C@@H]1O ZINC000095607481 ID Annotated Mild O=S(=O)(O)C1=CC2=NC3=C[C@@H]4Nc5ccc(S(=O)(=O)O)cc5N=C4C=C3N[C@H]2C=C1 ZINC000095628211 ID Annotated Anodyne in-man O=S(=O)(O)C1=CC2=NC3=C[C@H]4Nc5ccc(S(=O)(=O)O)cc5N=C4C=C3N[C@H]2C=C1 ZINC000095628212 ID Annotated Anodyne in-man O=S(=O)(O)C1=CC2=NC3=C[C@@H]4Nc5ccc(S(=O)(=O)O)cc5N=C4C=C3N[C@@H]2C=C1 ZINC000095628213 ID Annotated Anodyne in-man O=S(=O)(O)C1=CC2=NC3=C[C@H]4Nc5ccc(S(=O)(=O)O)cc5N=C4C=C3N[C@@H]2C=C1 ZINC000095628214 ID Annotated Anodyne in-man CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN(C)C2=O ZINC000095661150 ID Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)S(C)(=O)=O)[C@H](C)CN(C)C2=O ZINC000095661197 ID Annotated Anodyne COc1cccc(CNC(=O)[C@H]2[C@H](CO)[C@H]3Cn4c(ccc(C5=CCCC5)c4=O)[C@@H]2N3)c1 ZINC000095661567 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095661603 ID Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)S(C)(=O)=O)[C@@H](C)CN(C)C2=O ZINC000095661940 ID Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095662156 ID Annotated Mild CCC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095663508 ID Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095663686 ID Annotated Mild CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)S(C)(=O)=O)[C@H](C)CN(C)C2=O ZINC000095663827 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(C(C)=O)C1 ZINC000095663904 ID Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)COC)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095664135 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(S(C)(=O)=O)C1 ZINC000095664163 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000095664553 ID Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095664863 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095665019 ID Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)CN(C)C)C1 ZINC000095665760 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)CN(C)C)C1 ZINC000095665762 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CN(C(=O)C2CCC2)C1 ZINC000095666460 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CN(C(=O)C2CCC2)C1 ZINC000095666461 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(S(C)(=O)=O)C1 ZINC000095666577 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(S(C)(=O)=O)C1 ZINC000095666634 ID Annotated Anodyne O=C(C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)N1CCc2ccccc2C1 ZINC000095666973 ID Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)NCc3ccccn3)O[C@H]2CO)c1 ZINC000095667245 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095667265 ID Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095667698 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)CN(C)C)C[C@H]1C ZINC000095667866 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095668248 ID Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCOCC2)C3)cc1 ZINC000095668508 ID Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCOCC2)C3)cc1 ZINC000095668512 ID Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCOCC2)C3)cc1 ZINC000095668523 ID Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCOCC2)C3)cc1 ZINC000095668528 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095668631 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095675649 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095675650 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095675651 ID Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 ZINC000095675704 ID Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 ZINC000095675705 ID Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 ZINC000095675706 ID Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 ZINC000095675707 ID Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 ZINC000095675708 ID Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 ZINC000095675709 ID Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 ZINC000095675710 ID Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 ZINC000095675711 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1 ZINC000095675712 ID Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1 ZINC000095675713 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccncn1 ZINC000095675714 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1 ZINC000095675715 ID Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccncn1 ZINC000095675716 ID Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1 ZINC000095675717 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccncn1 ZINC000095675718 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095675814 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095675815 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095675816 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095675817 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095675818 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095675819 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095675820 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095675821 ID Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095675838 ID Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095675839 ID Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095675840 ID Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095675841 ID Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095675842 ID Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095675843 ID Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095675844 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095675960 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2cnccn2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095675961 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095675962 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2cnccn2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095675963 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095675964 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NCc3ccccc3F)O[C@H]2CO)cc1 ZINC000095676423 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)NCc3ccccc3F)O[C@@H]2CO)cc1 ZINC000095676425 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)NCc3ccccc3F)O[C@H]2CO)cc1 ZINC000095676427 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]2CO)cc1 ZINC000095676428 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)NCc3ccccc3F)O[C@H]2CO)cc1 ZINC000095676430 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)NCc3ccccc3F)O[C@@H]2CO)cc1 ZINC000095676433 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)NCc3ccccc3F)O[C@H]2CO)cc1 ZINC000095676435 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]2CO)cc1 ZINC000095676436 ID Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2CC[C@@H](CC(=O)NCc3ccncn3)O[C@H]2CO)c1 ZINC000095676538 ID Annotated Anodyne COc1cccc(NC(=O)N[C@H]2CC[C@H](CC(=O)NCc3ccncn3)O[C@@H]2CO)c1 ZINC000095676540 ID Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2CC[C@H](CC(=O)NCc3ccncn3)O[C@H]2CO)c1 ZINC000095676542 ID Annotated Anodyne COc1cccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)NCc3ccncn3)O[C@H]2CO)c1 ZINC000095676545 ID Annotated Anodyne COc1cccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)NCc3ccncn3)O[C@@H]2CO)c1 ZINC000095676547 ID Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2CC[C@H](CC(=O)NCc3ccncn3)O[C@@H]2CO)c1 ZINC000095676550 ID Annotated Anodyne COc1cccc(NC(=O)N[C@H]2CC[C@H](CC(=O)NCc3ccncn3)O[C@H]2CO)c1 ZINC000095676552 ID Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2CC[C@@H](CC(=O)NCc3ccncn3)O[C@@H]2CO)c1 ZINC000095676554 ID Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CCNC(=O)c2cnccn2)O[C@@H]1CO ZINC000095676740 ID Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCNC(=O)c2cnccn2)O[C@@H]1CO ZINC000095676741 ID Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCNC(=O)c2cnccn2)O[C@H]1CO ZINC000095676744 ID Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCNC(=O)c2cnccn2)O[C@@H]1CO ZINC000095676746 ID Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCNC(=O)c2cnccn2)O[C@H]1CO ZINC000095676748 ID Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CCNC(=O)c2cnccn2)O[C@H]1CO ZINC000095676751 ID Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCNC(=O)c2cnccn2)O[C@@H]1CO ZINC000095676752 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1 ZINC000095677036 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C(C)C)nn3)O[C@@H]2CO)cc1 ZINC000095677039 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1 ZINC000095677040 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C(C)C)nn3)O[C@@H]2CO)cc1 ZINC000095677042 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1 ZINC000095677045 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@@H]2CO)cc1 ZINC000095677047 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1 ZINC000095677049 ID Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@@H]2CO)cc1 ZINC000095677051 ID Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095677150 ID Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095677151 ID Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095677152 ID Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095677153 ID Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095677154 ID Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095677155 ID Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095677156 ID Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095677157 ID Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccncc1 ZINC000095677254 ID Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccncc1 ZINC000095677255 ID Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccncc1 ZINC000095677256 ID Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccncc1 ZINC000095677257 ID Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccncc1 ZINC000095677258 ID Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccncc1 ZINC000095677259 ID Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccncc1 ZINC000095677260 ID Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccncc1 ZINC000095677261 ID Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095678288 ID Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095678290 ID Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095678291 ID Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095678294 ID Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095678296 ID Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095678297 ID Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095678300 ID Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095678302 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)c3cnccn3)[C@H](CO)O2)nn1 ZINC000095678390 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)c3cnccn3)[C@@H](CO)O2)nn1 ZINC000095678392 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)c3cnccn3)[C@H](CO)O2)nn1 ZINC000095678393 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)c3cnccn3)[C@@H](CO)O2)nn1 ZINC000095678394 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)c3cnccn3)[C@H](CO)O2)nn1 ZINC000095678395 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)c3cnccn3)[C@@H](CO)O2)nn1 ZINC000095678396 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)c3cnccn3)[C@H](CO)O2)nn1 ZINC000095678397 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)c3cnccn3)[C@@H](CO)O2)nn1 ZINC000095678398 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687396 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687397 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687398 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687399 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687400 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687401 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687402 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687403 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688493 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688494 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688495 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688496 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688497 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688498 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688499 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)CN(C)C)C[C@H]1C ZINC000095688500 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000095688501 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000095688502 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000095688503 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000095688504 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@H]1C ZINC000095688505 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@H]1C ZINC000095688506 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(S(C)(=O)=O)C[C@@H]1C ZINC000095688541 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(S(C)(=O)=O)C[C@@H]1C ZINC000095688542 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(S(C)(=O)=O)C[C@H]1C ZINC000095688543 ID Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095689728 ID Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095689730 ID Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095689732 ID Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095689734 ID Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095689736 ID Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@H](C)CO2 ZINC000095689738 ID Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095689740 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095690044 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095690046 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095690048 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095690050 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095690053 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095690055 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095690057 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095690059 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)CN(C)C)C[C@H]1C ZINC000095690202 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000095690204 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000095690206 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000095690208 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)CN(C)C)C[C@@H]1C ZINC000095690210 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@H]1C ZINC000095690212 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@H]1C ZINC000095690214 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(S(C)(=O)=O)C[C@H]1C ZINC000095690907 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(S(C)(=O)=O)C[C@H]1C ZINC000095690941 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(S(C)(=O)=O)C[C@@H]1C ZINC000095690945 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(S(C)(=O)=O)C[C@@H]1C ZINC000095690949 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(S(C)(=O)=O)C[C@H]1C ZINC000095691192 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693510 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)NC[C@H]1C ZINC000095693531 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095693804 ID Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)NC[C@H]1C ZINC000095693943 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693977 ID Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095693981 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccccc1O ZINC000095694005 ID Annotated Clean CC(C)OC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095694086 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccccc2)OCc2cn(nn2)CCCC1=O ZINC000095699133 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095699144 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699159 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699166 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(O)cc2)OCc2cnnn2CCCC1=O ZINC000095699167 ID Annotated Anodyne COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CCC1)O2 ZINC000095701070 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CCC1)O2 ZINC000095701071 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CCC1)O2 ZINC000095701072 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CCC1)O2 ZINC000095701073 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CCC1)O2 ZINC000095701074 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CCC1)O2 ZINC000095701075 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CCC1)O2 ZINC000095701076 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CCC1)O2 ZINC000095701077 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CC1)O2 ZINC000095701946 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CC1)O2 ZINC000095701947 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CC1)O2 ZINC000095701948 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CC1)O2 ZINC000095701949 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CC1)O2 ZINC000095701950 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CC1)O2 ZINC000095701951 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CC1)O2 ZINC000095701952 ID Annotated Mild COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CC1)O2 ZINC000095701953 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702152 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702153 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702154 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702155 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702156 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702157 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702158 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702159 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709489 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709490 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709493 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709495 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709497 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709499 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709501 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709503 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710132 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710134 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710136 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710137 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710140 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710142 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710144 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710146 ID Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)(C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711668 ID Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)(C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711669 ID Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)(C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711672 ID Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)(C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711674 ID Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)(C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711676 ID Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)(C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711679 ID Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@H]1CN(C)C ZINC000095714613 ID Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@@H]1CN(C)C ZINC000095714615 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#Cc3ccncc3)ccc2S1(=O)=O ZINC000095714617 ID Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@H]1CN(C)C ZINC000095714619 ID Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@@H]1CN(C)C ZINC000095714621 ID Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@H]1CN(C)C ZINC000095714624 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#Cc3ccncc3)ccc2S1(=O)=O ZINC000095714626 ID Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@@H]1CN(C)C ZINC000095714628 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714963 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095714964 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714966 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095714969 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714971 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095714972 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714975 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095714977 ID Annotated Anodyne C[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715060 ID Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#C[C@@H](C)O)cnc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095715063 ID Annotated Mild C[C@@H](O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715065 ID Annotated Mild C[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715067 ID Annotated Mild C[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715069 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2ncc(C#C[C@@H](C)O)cc2C1=O ZINC000095715071 ID Annotated Mild C[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715074 ID Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#C[C@@H](C)O)cnc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095715076 ID Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#C[C@@H](C)O)cnc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095715078 ID Annotated Mild C[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715081 ID Annotated Mild C[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715082 ID Annotated Mild C[C@@H](O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715084 ID Annotated Mild C[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715087 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC2CC2)Oc2ncc(C#C[C@@H](C)O)cc2C1=O ZINC000095715088 ID Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#C[C@@H](C)O)cnc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095715091 ID Annotated Mild C[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095715093 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715651 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715653 ID Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715655 ID Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715657 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715659 ID Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715704 ID Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715705 ID Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715707 ID Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715709 ID Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715948 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715950 ID Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715952 ID Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715954 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715956 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095716063 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095716065 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095716068 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095716071 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095716243 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095716244 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095716245 ID Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095716246 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095716504 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095716506 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095716508 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095716510 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095716511 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095716513 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@H]1CN(C)C ZINC000095716671 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#Cc3cccnc3)ccc2S1(=O)=O ZINC000095716673 ID Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@H]1CN(C)C ZINC000095716675 ID Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@@H]1CN(C)C ZINC000095716677 ID Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@@H]1CN(C)C ZINC000095716679 ID Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@H]1CN(C)C ZINC000095716681 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#Cc3cccnc3)ccc2S1(=O)=O ZINC000095716683 ID Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@@H]1CN(C)C ZINC000095716685 ID Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095717236 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095717237 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095717239 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095717241 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095717242 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095717244 ID Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095717246 ID Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095717248 ID Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095725925 ID Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095725926 ID Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095725927 ID Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095725928 ID Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095725929 ID Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095725930 ID Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095725931 ID Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095725932 ID Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727008 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)S(C)(=O)=O)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727011 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)S(C)(=O)=O)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727014 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727017 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727020 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)S(C)(=O)=O)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727023 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)S(C)(=O)=O)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727026 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727029 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC(C)(C)O)cnc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095727164 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2ncc(C#CC(C)(C)O)cc2C1=O ZINC000095727166 ID Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC(C)(C)O)cnc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095727169 ID Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC(C)(C)O)cnc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095727171 ID Annotated Mild C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC(C)(C)O)cnc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095727174 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2ncc(C#CC(C)(C)O)cc2C1=O ZINC000095727177 ID Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC(C)(C)O)cnc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095727180 ID Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095727393 ID Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095727396 ID Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727397 ID Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727402 ID Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095727404 ID Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095727408 ID Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727410 ID Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727413 ID Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095727416 ID Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095727419 ID Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727422 ID Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727425 ID Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095727428 ID Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095727431 ID Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727434 ID Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727437 ID Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)COC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730163 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)COC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730166 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)COC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730171 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)COC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730173 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)COC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730176 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)COC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730179 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)COC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730182 ID Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)COC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730185 ID Annotated Anodyne CNC[C@@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095730329 ID Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095730452 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730457 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095730557 ID Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730792 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095730886 ID Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095731008 ID Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731043 ID Annotated Mild C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cnccn1)O2 ZINC000095732305 ID Annotated Anodyne C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cnccn1)O2 ZINC000095732408 ID Annotated Anodyne C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cnccn1)O2 ZINC000095732464 ID Annotated Anodyne C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cnccn1)O2 ZINC000095732482 ID Annotated Anodyne C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cnccn1)O2 ZINC000095732563 ID Annotated Anodyne C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cnccn1)O2 ZINC000095732569 ID Annotated Anodyne C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cnccn1)O2 ZINC000095732655 ID Annotated Anodyne C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cnccn1)O2 ZINC000095733009 ID Annotated Anodyne CNC[C@H]1Oc2cc(C#CC3(O)CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095734048 ID Annotated Mild CNC[C@@H]1Oc2cc(C#CC3(O)CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095734087 ID Annotated Mild CNC[C@@H]1Oc2cc(C#CC3(O)CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095734176 ID Annotated Mild CNC[C@H]1Oc2cc(C#CC3(O)CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095734351 ID Annotated Mild CNC[C@H]1Oc2cc(C#CC3(O)CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095734503 ID Annotated Mild CNC[C@H]1Oc2cc(C#CC3(O)CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095734505 ID Annotated Mild CNC[C@@H]1Oc2cc(C#CC3(O)CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095734508 ID Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@H]1CN(C)C ZINC000095734693 ID Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@H]1CN(C)C ZINC000095734697 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#Cc3ccccn3)ccc2S1(=O)=O ZINC000095734756 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#Cc3ccccn3)ccc2S1(=O)=O ZINC000095734868 ID Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@H]1CN(C)C ZINC000095734870 ID Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@@H]1CN(C)C ZINC000095734881 ID Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@@H]1CN(C)C ZINC000095735155 ID Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@@H]1CN(C)C ZINC000095735165 ID Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2O)OCc2cnnn2CCCC1=O ZINC000095781814 ID Annotated Clean CC(=O)[C@@]12O[C@]3(COC[C@H](c4ccccc4)N3C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000095783897 ID Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)COC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793749 ID Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)COC)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793750 ID Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)COC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095793756 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000095793780 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2ccncc2)C1 ZINC000095793812 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2ccncc2)C1 ZINC000095793814 ID Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)O)O[C@H](CO)[C@@H]2O3)c1 ZINC000095793893 ID Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095793949 ID Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095794041 ID Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095794042 ID Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2C(=O)COC ZINC000095794103 ID Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095794168 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)O)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095794230 ID Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)O)O[C@@H](CO)[C@H]2O3)c1 ZINC000095794312 ID Annotated Anodyne O=C(CN1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(F)c1 ZINC000095794759 ID Annotated Anodyne O=C(CN1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(F)c1 ZINC000095794799 ID Annotated Anodyne O=C(CN1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccc(F)c1 ZINC000095794800 ID Annotated Anodyne CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095794926 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795136 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795137 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095795139 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795140 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095795178 ID Annotated Mild O=C(CN1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095795260 ID Annotated Anodyne CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795490 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795513 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795514 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795515 ID Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(C(=O)N(C)C)c3)cc1)[C@@H]2CO ZINC000095795588 ID Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095795589 ID Annotated Anodyne O=C(CN1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095795597 ID Annotated Anodyne O=C(CN1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095795598 ID Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)CN5CCOCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795599 ID Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795608 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795630 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095795631 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095795646 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095795647 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795648 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795649 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795768 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795822 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795823 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795824 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095795825 ID Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795826 ID Annotated Mild Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)CN5CCOCC5)C[C@@H]34)cc2)c1 ZINC000095795872 ID Annotated Anodyne COCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095795940 ID Annotated Anodyne COCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095795942 ID Annotated Anodyne CCC(=O)N1CC2(CCN(S(C)(=O)=O)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095795982 ID Annotated Anodyne CCC(=O)N1CC2(CCN(S(C)(=O)=O)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095795983 ID Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796093 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C(C)=O)C1 ZINC000095796105 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(S(C)(=O)=O)C1 ZINC000095796288 ID Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2C(=O)COC ZINC000095796351 ID Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2C(=O)COC ZINC000095796352 ID Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2C(=O)COC ZINC000095796353 ID Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095796448 ID Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095796449 ID Annotated Anodyne O=C(CN1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095796652 ID Annotated Anodyne O=C(CN1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095796708 ID Annotated Anodyne O=C(CN1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095796709 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(S(C)(=O)=O)C1 ZINC000095796810 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095796836 ID Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)CC1CC1)N1CCc2ccccc2C1 ZINC000095796895 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C(C)=O ZINC000095797145 ID Annotated Anodyne O=C([C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1)N1CCc2ccccc2C1 ZINC000095797180 ID Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095797185 ID Annotated Anodyne O=C(Cc1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797237 ID Annotated Anodyne O=C(Cc1ccncc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797238 ID Annotated Anodyne O=C(Cc1ccncc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797239 ID Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797372 ID Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797705 ID Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095797706 ID Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797707 ID Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095797708 ID Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@H]34)cc2)c1 ZINC000095797709 ID Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095798165 ID Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095798356 ID Annotated Mild CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO ZINC000095798384 ID Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095798398 ID Annotated Mild CN(C)CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095798422 ID Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095798443 ID Annotated Mild CN(C)CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095798483 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1cccc(O)c1 ZINC000095810149 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccc(O)c1 ZINC000095810150 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccc(O)c1 ZINC000095810151 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1cccnc1 ZINC000095810161 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)OCc2cnnn2CCCC1=O ZINC000095810163 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095810184 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC000095810187 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(O)cc1 ZINC000095810227 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(O)cc1 ZINC000095810229 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1cccc(O)c1 ZINC000095810239 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccnc1 ZINC000095810240 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1cccnc1 ZINC000095810241 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)OCc2cn(nn2)CCCC1=O ZINC000095810242 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccnc1 ZINC000095810245 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1cccnc1 ZINC000095810246 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095810286 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095810290 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095810291 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095810293 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095810295 ID Annotated Anodyne CC(C)COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095810296 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095818327 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(O)cc1 ZINC000095818372 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(O)cc2)OCc2cn(nn2)CCCC1=O ZINC000095818373 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(O)cc2)OCc2cn(nn2)CCCC1=O ZINC000095818378 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(O)cc1 ZINC000095818379 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1cccc(O)c1 ZINC000095818381 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1cccnc1 ZINC000095818383 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095818421 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(O)cc1 ZINC000095818519 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(O)cc1 ZINC000095818520 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(O)c2)OCc2cn(nn2)CCCC1=O ZINC000095818536 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1cccnc1 ZINC000095818541 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)OCc2cn(nn2)CCCC1=O ZINC000095818545 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1cccnc1 ZINC000095818549 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(O)cc2)OCc2cnnn2CCCC1=O ZINC000095818619 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(O)cc1 ZINC000095818621 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1cccc(O)c1 ZINC000095818631 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1cccc(O)c1 ZINC000095818632 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1cccc(O)c1 ZINC000095818633 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(O)c2)OCc2cnnn2CCCC1=O ZINC000095818637 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1cccnc1 ZINC000095818645 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1cccnc1 ZINC000095818647 ID Annotated Anodyne CC(C)OC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095818660 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCCCC2)OCc2cn(nn2)CCCC1=O ZINC000095818661 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)C1CCCCC1 ZINC000095818663 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)C1CCCCC1 ZINC000095818664 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1cccc(O)c1 ZINC000095834386 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(O)c2)OCc2cn(nn2)CCCC1=O ZINC000095834387 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC000095835744 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)OCc2cn(nn2)CCCC1=O ZINC000095835746 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(O)cc1 ZINC000095836524 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccncc1 ZINC000095836525 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(O)cc1 ZINC000095837378 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccncc1 ZINC000095838289 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccncc1 ZINC000095838291 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)OCc2cnnn2CCCC1=O ZINC000095838293 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccncc1 ZINC000095846073 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccncc1 ZINC000095846074 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)OCc2cn(nn2)CCCC1=O ZINC000095846535 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(O)cc1 ZINC000095846958 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccncc1 ZINC000095847338 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)OCc2cn(nn2)CCCC1=O ZINC000095847339 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccncc1 ZINC000095847810 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccncc1 ZINC000095848423 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccncc1 ZINC000095849016 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCc2cn(nn2)CCCC1=O ZINC000095849644 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccccc1 ZINC000095849646 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccccc1 ZINC000095850369 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccccc1 ZINC000095850370 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccccc1 ZINC000095852425 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccccc1 ZINC000095852426 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccccc1 ZINC000095853431 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccccc1 ZINC000095853926 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCc2cn(nn2)CCCC1=O ZINC000095853927 ID Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3cc(C)nn3C)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095854663 ID Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3cc(C)nn3C)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095854699 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCc2cnnn2CCCC1=O ZINC000095855175 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccccc1 ZINC000095855176 ID Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095856083 ID Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3cc(C)nn3C)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095856102 ID Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3cc(C)nn3C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095856854 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095857468 ID Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3cc(C)nn3C)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095859300 ID Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3cc(C)nn3C)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095859910 ID Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3cc(C)nn3C)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095859957 ID Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccccc2)OCc2cn(nn2)CCCC1=O ZINC000095860642 ID Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3cc(C)nn3C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095860723 ID Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095861317 ID Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccccc1 ZINC000095862060 ID Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095864457 ID Annotated Mild CN(C)CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095864462 ID Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCC1 ZINC000095864469 ID Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095864548 ID Annotated Mild O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CCOCC1 ZINC000095864556 ID Annotated Bother CCCC(=O)N1CC2(CN(S(=O)(=O)CC)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865134 ID Annotated Anodyne CCCC(=O)N1CC2(CN(S(=O)(=O)CC)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865135 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1cnccn1)CC31CN(C(C)=O)C1 ZINC000095865157 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1cnccn1)CC31CN(C(C)=O)C1 ZINC000095865159 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(S(C)(=O)=O)C1 ZINC000095865232 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2ccccc2)C1 ZINC000095865323 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2ccccc2)C1 ZINC000095865325 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)c2cnccn2)C1 ZINC000095865364 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)c2cnccn2)C1 ZINC000095865365 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095865799 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095865816 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095865817 ID Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)COC)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865842 ID Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)COC)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865844 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095865846 ID Annotated Anodyne COc1cccc(S(=O)(=O)N2CC3(CN[C@@H](CO)c4[nH]c5cc(OC)ccc5c43)C2)c1 ZINC000095865983 ID Annotated Anodyne COc1cccc(S(=O)(=O)N2CC3(CN[C@H](CO)c4[nH]c5cc(OC)ccc5c43)C2)c1 ZINC000095865984 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1Cc1cocn1 ZINC000095866481 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCC3)N(C(=O)C3CC3)[C@@H]21 ZINC000095866547 ID Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095866732 ID Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)c1cccnc1 ZINC000095866765 ID Annotated Bother CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095866820 ID Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C(C)=O ZINC000095866822 ID Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095866871 ID Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@H]2C1 ZINC000095866875 ID Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095866876 ID Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095866877 ID Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@H]2C1 ZINC000095866878 ID Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(OC)c3)cc1)[C@@H]2CO ZINC000095866879 ID Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095866880 ID Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095866881 ID Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NC3CCC3)[C@H]2N1C(=O)c1cnccn1 ZINC000095866912 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)C2CC2)[C@@H](C(=O)NC2CCCC2)[C@@H]1CO ZINC000095866938 ID Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1Cc1cocn1 ZINC000095866960 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)[C@@H]2N1C(=O)c1cnccn1 ZINC000095866963 ID Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095867012 ID Annotated Anodyne CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095867115 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095867116 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095867117 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095867118 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095867133 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095867134 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095867135 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095867136 ID Annotated Mild CC(=O)[C@]12O[C@@]3(COC[C@H](c4ccccc4)N3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000095867196 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)CN(C)C)C1 ZINC000095867684 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)CN(C)C)C1 ZINC000095867685 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CN(CC2CCOCC2)C1 ZINC000095867710 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CN(CC2CCOCC2)C1 ZINC000095867711 ID Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)c1cnccn1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867725 ID Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)c1cnccn1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867726 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(C(C)=O)C1 ZINC000095867784 ID Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(C(C)=O)C1 ZINC000095867785 ID Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccccc1 ZINC000095867987 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN1CCOCC1)CC31CCN(C)CC1 ZINC000095868496 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN1CCOCC1)CC31CCN(C)CC1 ZINC000095868535 ID Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868540 ID Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868541 ID Annotated Anodyne CCCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868584 ID Annotated Anodyne CCCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868585 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CN(C(=O)CN(C)C)C1 ZINC000095868607 ID Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)COC)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868631 ID Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)COC)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868632 ID Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccnc1)CC31CN(C(=O)CN(C)C)C1 ZINC000095868644 ID Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1ccccn1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868759 ID Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1ccccn1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868760 ID Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869181 ID Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095869268 ID Annotated Mild CCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCCCN(C)C ZINC000095869314 ID Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095869317 ID Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]2N1CCC(F)(F)F ZINC000095869331 ID Annotated Anodyne CCN1[C@H](C(=O)NCCCN(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095869372 ID Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095869400 ID Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@H]2N1CCC(F)(F)F ZINC000095869438 ID Annotated Anodyne CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095869534 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095869535 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095869536 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095869537 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095869538 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095869539 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095869616 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095869617 ID Annotated Mild CN(C)CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095869640 ID Annotated Anodyne CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095871296 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095871297 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095871323 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095871324 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871325 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095871326 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095871327 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871328 ID Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@H]34)cc2)cc1 ZINC000095871397 ID Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095871398 ID Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095871399 ID Annotated Anodyne CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1 ZINC000095871403 ID Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)CN5CCOCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095871423 ID Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)CN5CCOCC5)C[C@@H]34)cc2)cc1 ZINC000095871424 ID Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)CN5CCOCC5)C[C@@H]34)cc2)cc1 ZINC000095871425 ID Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)CN5CCOCC5)C[C@H]34)cc2)cc1 ZINC000095871426 ID Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@H]2C1 ZINC000095871436 ID Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1 ZINC000095871437 ID Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(C(=O)N(C)C)cc3)cc1)[C@@H]2CO ZINC000095871438 ID Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)CN5CCOCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095871461 ID Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)CN5CCOCC5)C[C@@H]34)cc2)cc1 ZINC000095871462 ID Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)CN5CCOCC5)C[C@@H]34)cc2)cc1 ZINC000095871463 ID Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095871650 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095871651 ID Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095871652 ID Annotated Mild O=C(CN1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1cccc(F)c1 ZINC000095872059 ID Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095873954 ID Annotated Mild CS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccn3)cc1)[C@@H]2CO ZINC000095873955 ID Annotated Mild CS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095873956 ID Annotated Mild CS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccn3)cc1)[C@@H]2CO ZINC000095873957 ID Annotated Mild CS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095873958 ID Annotated Mild CS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1 ZINC000095873959 ID Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@H]23)cc1 ZINC000095874294 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccn4)CCCCN3[C@H]2CO)cc1 ZINC000095874295 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874296 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@H]23)cc1 ZINC000095874297 ID Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874298 ID Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@@H]1CO ZINC000095878434 ID Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@H]1CO ZINC000095878435 ID Annotated Mild CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)CC1CC1 ZINC000095878903 ID Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)CC1CC1 ZINC000095878904 ID Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@@H]1N[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095878931 ID Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1N[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095878932 ID Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 ZINC000095878958 ID Annotated Anodyne CC(=O)N1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095878959 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)[C@@H]2N1C(=O)C1CC1 ZINC000095878972 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCCCC3)[C@H]2N1C(=O)C1CC1 ZINC000095878973 ID Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)N(C)C)N(CC4CC4)[C@@H]32)cc1 ZINC000095879055 ID Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N(CC3CC3)[C@@H](C(=O)N(C)C)[C@@H]2CO)cc1 ZINC000095879056 ID Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095879064 ID Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095879065 ID Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 ZINC000095879102 ID Annotated Anodyne CCC(=O)N1[C@H](C(=O)NC2CCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879103 ID Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CCC1 ZINC000095879124 ID Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C(=O)C1CCC1 ZINC000095879125 ID Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCOC ZINC000095879209 ID Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)Cc1ccccn1 ZINC000095879212 ID Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)Cc1ccccn1 ZINC000095879213 ID Annotated Anodyne CCCN1[C@H](C(=O)NCCCN(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879214 ID Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCCCN(C)C ZINC000095879215 ID Annotated Anodyne COc1cccc(CNC(=O)[C@H]2[C@H](CO)[C@H]3Cn4c(cccc4=O)[C@@H]2N3C(=O)C2CC2)c1 ZINC000095879225 ID Annotated Anodyne COc1cccc(CNC(=O)[C@H]2[C@H]3c4cccc(=O)n4C[C@@H]([C@@H]2CO)N3C(=O)C2CC2)c1 ZINC000095879226 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC(F)(F)F)[C@H]2N1C(=O)C1CC1 ZINC000095879239 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC(F)(F)F)[C@@H]2N1C(=O)C1CC1 ZINC000095879240 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)N(C(=O)C3CCC3)[C@@H]21 ZINC000095879257 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)C2CCC2)[C@@H](C(=O)NC2CCC2)[C@@H]1CO ZINC000095879258 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(Cc3ccncc3)[C@@H]21 ZINC000095879345 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccncc2)[C@@H](C(=O)NCC2CC2)[C@@H]1CO ZINC000095879346 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCCc1ccccc1 ZINC000095879413 ID Annotated Anodyne CN1[C@H](C(=O)NCCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]21 ZINC000095879414 ID Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO ZINC000095879481 ID Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2 ZINC000095879482 ID Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCOC ZINC000095879501 ID Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NCCOC)[C@@H]2CO ZINC000095879502 ID Annotated Anodyne CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(C(=O)N(C)C)c4)c3=O)[C@@H]21 ZINC000095879534 ID Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(C(=O)N(C)C)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095879535 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(C(=O)CC3CC3)[C@@H]21 ZINC000095879594 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC2CC2)[C@@H](C(=O)NCC2CC2)[C@@H]1CO ZINC000095879595 ID Annotated Anodyne CCCNC(=O)N1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)O ZINC000095879636 ID Annotated Anodyne CCCNC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@H]1[C@@H](C(=O)O)[C@@H]2CO ZINC000095879637 ID Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO ZINC000095879698 ID Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCC1 ZINC000095879699 ID Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(C(=O)N(C)C)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095879773 ID Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4cccc(C(=O)N(C)C)c4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095879774 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095879794 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2C(C)=O ZINC000095879795 ID Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1C(C)=O ZINC000095879796 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C(C)=O ZINC000095879797 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095879802 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095879803 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095879804 ID Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095879805 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)O)[C@@H]2N1S(=O)(=O)c1ccccc1C ZINC000095879822 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)O)[C@H]2N1S(=O)(=O)c1ccccc1C ZINC000095879823 ID Annotated Anodyne O=C(NCc1ccncc1)[C@@H]1N[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095879901 ID Annotated Anodyne O=C(NCc1ccncc1)[C@H]1N[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095879902 ID Annotated Anodyne C[C@@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4cncnc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095879933 ID Annotated Anodyne C[C@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(-c4cncnc4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095879934 ID Annotated Anodyne C[C@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4cncnc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095879935 ID Annotated Anodyne C[C@@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(-c4cncnc4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095879936 ID Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCOCC1)[C@@H]2CO ZINC000095879966 ID Annotated Anodyne CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCOCC1 ZINC000095879967 ID Annotated Anodyne CCCN1[C@H](C(=O)N2CCOCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]21 ZINC000095879976 ID Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCOCC1 ZINC000095879977 ID Annotated Anodyne CN1[C@H](C(=O)NCc2ccccn2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095879982 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccn1 ZINC000095879983 ID Annotated Anodyne CN(C)CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C ZINC000095880040 ID Annotated Anodyne CN(C)CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1C ZINC000095880041 ID Annotated Anodyne CN(C)CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2C ZINC000095880044 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880143 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095880144 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCc1ccccc1 ZINC000095880157 ID Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)NCCc1ccccc1)[C@@H]2CO ZINC000095880158 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1Cc1cccnc1 ZINC000095880184 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1Cc1cccnc1 ZINC000095880185 ID Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CC1 ZINC000095880211 ID Annotated Anodyne CC(=O)N1[C@H](C(=O)NCC2CC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095880212 ID Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095880217 ID Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095880218 ID Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]3N2CC2CC2)c1 ZINC000095880231 ID Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]3N2CC2CC2)c1 ZINC000095880232 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095880261 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095880262 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095880265 ID Annotated Anodyne O=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095880266 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(Cc3cccnc3)[C@@H]21 ZINC000095880308 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cccnc2)[C@@H](C(=O)NCC2CC2)[C@@H]1CO ZINC000095880309 ID Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(-c4cncnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)NC1CCCC1 ZINC000095880324 ID Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]1N2C(=O)NC1CCCC1 ZINC000095880325 ID Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095880332 ID Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095880333 ID Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2 ZINC000095880395 ID Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccc(F)c2)c3=O)[C@@H]1CO ZINC000095880396 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095880417 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095880418 ID Annotated Anodyne CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095880461 ID Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095880462 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(Cc3ccccn3)[C@@H]21 ZINC000095880472 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccccn2)[C@@H](C(=O)NCC2CC2)[C@@H]1CO ZINC000095880473 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccn3)[C@@H]2N1CC1CC1 ZINC000095880509 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccccn3)[C@H]2N1CC1CC1 ZINC000095880510 ID Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCC1 ZINC000095880541 ID Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO ZINC000095880542 ID Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095880549 ID Annotated Anodyne CCCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]21 ZINC000095880550 ID Annotated Anodyne CN1[C@H](C(=O)NCC(F)(F)F)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095880572 ID Annotated Anodyne CN(C)CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1C ZINC000095880585 ID Annotated Anodyne CN(C)CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1C ZINC000095880586 ID Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NCCOC)[C@@H]2CO ZINC000095880603 ID Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCOC ZINC000095880604 ID Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N(CC3CC3)[C@@H](C(=O)N(C)C)[C@@H]2CO)c1 ZINC000095880659 ID Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC ZINC000095880712 ID Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)CC ZINC000095880713 ID Annotated Anodyne O=C(NCCN1CCCC1)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095880718 ID Annotated Anodyne O=C(NCCN1CCCC1)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095880719 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1CC1CCOCC1 ZINC000095880762 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1CC1CCOCC1 ZINC000095880763 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccncc1 ZINC000095880823 ID Annotated Anodyne CN1[C@H](C(=O)NCc2ccncc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]21 ZINC000095880824 ID Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCC1 ZINC000095880881 ID Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO ZINC000095880882 ID Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095880891 ID Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095880892 ID Annotated Anodyne O=C(NCC(F)(F)F)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCCC1 ZINC000095880893 ID Annotated Anodyne O=C(NCC(F)(F)F)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCC1 ZINC000095880894 ID Annotated Anodyne CC(=O)N1[C@H](C(=O)NCC2CC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]21 ZINC000095880908 ID Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CC1 ZINC000095880909 ID Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880914 ID Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095880915 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000095880916 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccc(F)cc1 ZINC000095880917 ID Annotated Anodyne CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCOCC1 ZINC000095881029 ID Annotated Anodyne CN1[C@H](C(=O)N2CCOCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095881030 ID Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)N1CCOCC1)[C@@H]2CO ZINC000095881035 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCOCC1 ZINC000095881036 ID Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095881037 ID Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095881038 ID Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2 ZINC000095881070 ID Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccnc2)c3=O)[C@@H]1CO ZINC000095881071 ID Annotated Anodyne CN(C)CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2C ZINC000095881098 ID Annotated Anodyne CN(C)CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C ZINC000095881099 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3Cc4ccccc4C3)[C@@H]2N1C(C)=O ZINC000095881132 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NC3Cc4ccccc4C3)[C@H]2N1C(C)=O ZINC000095881133 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1Cc1ccncc1 ZINC000095881192 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1Cc1ccncc1 ZINC000095881193 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095881197 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095881198 ID Annotated Anodyne CC(=O)N1[C@H](C(=O)NC2CCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095881209 ID Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 ZINC000095881210 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCOCC3)[C@@H]2N1CC1CCCC1 ZINC000095881215 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCOCC3)[C@H]2N1CC1CCCC1 ZINC000095881216 ID Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095881219 ID Annotated Anodyne CCCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]21 ZINC000095881220 ID Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCOCC1)[C@@H]2CO ZINC000095881286 ID Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCOCC1 ZINC000095881287 ID Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO ZINC000095881290 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccn1 ZINC000095881291 ID Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1CC1CCOCC1 ZINC000095881304 ID Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1CC1CCOCC1 ZINC000095881305 ID Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCOCC1 ZINC000095881312 ID Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)N1CCOCC1)[C@@H]2CO ZINC000095881313 ID Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C(=O)CC ZINC000095881345 ID Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C(=O)CC ZINC000095881346 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095881384 ID Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(C)=O ZINC000095881385 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccccc3)N(C(C)=O)[C@@H]21 ZINC000095881417 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(C)=O)[C@@H](C(=O)NCCc2ccccc2)[C@@H]1CO ZINC000095881418 ID Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCOCC1 ZINC000095881433 ID Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CCOCC1 ZINC000095881434 ID Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)NCCOC)[C@@H]2CO ZINC000095881439 ID Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCOC ZINC000095881440 ID Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 ZINC000095881485 ID Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCC1 ZINC000095881486 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095881503 ID Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095881504 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccn1 ZINC000095881509 ID Annotated Anodyne CN1[C@H](C(=O)NCc2ccccn2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095881510 ID Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1[C@@H](C(=O)NCCc1ccccc1)[C@@H]2CO ZINC000095881538 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCc1ccccc1 ZINC000095881539 ID Annotated Anodyne CCC(=O)N1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095881557 ID Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095881558 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)[C@@H]2N1C(=O)c1ccccn1 ZINC000095881629 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NC3CCC3)[C@H]2N1C(=O)c1ccccn1 ZINC000095881630 ID Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCC2)c3=O)[C@@H]1CO ZINC000095881647 ID Annotated Anodyne CN1[C@H](C(=O)NCC(F)(F)F)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]21 ZINC000095881689 ID Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC(F)(F)F ZINC000095881690 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)O)[C@H]2N1S(=O)(=O)c1ccccc1F ZINC000095881791 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)O)[C@@H]2N1S(=O)(=O)c1ccccc1F ZINC000095881792 ID Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)Cc1cccnc1 ZINC000095881856 ID Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)Cc1cccnc1 ZINC000095881857 ID Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C(=O)c1ccccn1 ZINC000095884544 ID Annotated Anodyne O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1C(=O)c1ccccn1 ZINC000095884545 ID Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccc(F)cc2)c3=O)[C@@H]1CO ZINC000095884569 ID Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2 ZINC000095884570 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1C(=O)c1ccc(F)cc1 ZINC000095884589 ID Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1C(=O)c1ccc(F)cc1 ZINC000095884590 ID Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@H]2N1C(=O)C1CCCCC1 ZINC000095884626 ID Annotated Anodyne O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]2N1C(=O)C1CCCCC1 ZINC000095884627 ID Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)c1cccnc1 ZINC000095884654 ID Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1cccnc1 ZINC000095884655 ID Annotated Anodyne COc1cccc(NC(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)NC4CCC4)CC[C@@H]32)c1 ZINC000095884703 ID Annotated Anodyne COc1cccc(NC(=O)N2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)NC4CCC4)CC[C@@H]32)c1 ZINC000095884704 ID Annotated Anodyne COc1cccc(NC(=O)N2C[C@H](O)COC[C@@H]3O[C@@H](CC(=O)NC4CCC4)CC[C@H]32)c1 ZINC000095884705 ID Annotated Anodyne COc1cccc(NC(=O)N2C[C@@H](O)COC[C@@H]3O[C@@H](CC(=O)NC4CCC4)CC[C@H]32)c1 ZINC000095884706 ID Annotated Anodyne COc1cccc(NC(=O)N2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)NC4CCC4)CC[C@H]32)c1 ZINC000095884707 ID Annotated Anodyne COc1cccc(NC(=O)N2C[C@H](O)COC[C@H]3O[C@H](CC(=O)NC4CCC4)CC[C@@H]32)c1 ZINC000095884708 ID Annotated Anodyne COc1cccc(NC(=O)N2C[C@H](O)COC[C@@H]3O[C@H](CC(=O)NC4CCC4)CC[C@H]32)c1 ZINC000095884709 ID Annotated Anodyne COc1cccc(NC(=O)N2C[C@@H](O)COC[C@H]3O[C@@H](CC(=O)NC4CCC4)CC[C@@H]32)c1 ZINC000095884710 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1)NC1CCC1 ZINC000095884722 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1)NC1CCC1 ZINC000095884723 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1)NC1CCC1 ZINC000095884724 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1)NC1CCC1 ZINC000095884725 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1)NC1CCC1 ZINC000095884726 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCCC1 ZINC000095884735 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCCC1 ZINC000095884736 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCCC1 ZINC000095884737 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCCC1 ZINC000095884738 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCCC1 ZINC000095884739 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCCC1 ZINC000095884740 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCCC1 ZINC000095884741 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCCC1 ZINC000095884742 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccccc1 ZINC000095884857 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccccc1 ZINC000095884858 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccccc1 ZINC000095884859 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccccc1 ZINC000095884860 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccccc1 ZINC000095884861 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccccc1 ZINC000095884862 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1 ZINC000095884894 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1 ZINC000095884895 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1 ZINC000095884896 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1 ZINC000095884897 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1 ZINC000095884898 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1 ZINC000095884899 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1 ZINC000095884900 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1 ZINC000095884901 ID Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885006 ID Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885007 ID Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885008 ID Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885009 ID Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885010 ID Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885011 ID Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885012 ID Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885013 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1)NCc1ccncc1 ZINC000095885123 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1)NCc1ccncc1 ZINC000095885124 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1)NCc1ccncc1 ZINC000095885125 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1)NCc1ccncc1 ZINC000095885126 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1)NCc1ccncc1 ZINC000095885127 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1)NCc1ccncc1 ZINC000095885128 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1)NCc1ccncc1 ZINC000095885129 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1)NCc1ccncc1 ZINC000095885130 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2F)O1 ZINC000095885166 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2F)O1 ZINC000095885167 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCOCC1 ZINC000095885213 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCOCC1 ZINC000095885214 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCOCC1 ZINC000095885215 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCOCC1 ZINC000095885216 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCOCC1 ZINC000095885217 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCOCC1 ZINC000095885218 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)N1CCOCC1 ZINC000095885219 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)N1CCCCC1 ZINC000095885269 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)N1CCCCC1 ZINC000095885270 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)N1CCCCC1 ZINC000095885271 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)N1CCCCC1 ZINC000095885272 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)N1CCCCC1 ZINC000095885273 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)N1CCCCC1 ZINC000095885274 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)N1CCCCC1 ZINC000095885275 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)N1CCCCC1 ZINC000095885276 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095885285 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095885286 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095885287 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095885288 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095885289 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095885290 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095885291 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095885292 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCc1ccncc1 ZINC000095885717 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCc1ccncc1 ZINC000095885718 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCc1ccncc1 ZINC000095885719 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCc1ccncc1 ZINC000095885720 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCc1ccncc1 ZINC000095885721 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCc1ccncc1 ZINC000095885722 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCc1ccncc1 ZINC000095885723 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCc1ccncc1 ZINC000095885724 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885784 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885785 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885786 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885787 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885788 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885789 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885790 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095885791 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCC1CC1 ZINC000095886515 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCC1CC1 ZINC000095886516 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCC1CC1 ZINC000095886517 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCC1CC1 ZINC000095886518 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCC1CC1 ZINC000095886519 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCC1CC1 ZINC000095886520 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCC1CC1 ZINC000095886521 ID Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2Cl)O1 ZINC000095887010 ID Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2Cl)O1 ZINC000095887011 ID Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2Cl)O1 ZINC000095887012 ID Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2Cl)O1 ZINC000095887013 ID Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095887020 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccncn1 ZINC000095887119 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccncn1 ZINC000095887120 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccncn1 ZINC000095887121 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccncn1 ZINC000095887122 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCc1ccncn1 ZINC000095887123 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CC2)O1)NCc1ccccc1Cl ZINC000095887129 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CC2)O1)NCc1ccccc1Cl ZINC000095887130 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CC2)O1)NCc1ccccc1Cl ZINC000095887131 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CC2)O1)NCc1ccccc1Cl ZINC000095887132 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CC2)O1)NCc1ccccc1Cl ZINC000095887133 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CC2)O1)NCc1ccccc1Cl ZINC000095887134 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CC2)O1)NCc1ccccc1Cl ZINC000095887135 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CC2)O1)NCc1ccccc1Cl ZINC000095887136 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1 ZINC000095887164 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1 ZINC000095887165 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1 ZINC000095887166 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1 ZINC000095887167 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1 ZINC000095887168 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1 ZINC000095887169 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1 ZINC000095887170 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1 ZINC000095887171 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3Cc3cccc(F)c3)O2)CC1 ZINC000095887270 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3Cc3cccc(F)c3)O2)CC1 ZINC000095887271 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3Cc3cccc(F)c3)O2)CC1 ZINC000095887272 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3Cc3cccc(F)c3)O2)CC1 ZINC000095887273 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3Cc3cccc(F)c3)O2)CC1 ZINC000095887274 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3Cc3cccc(F)c3)O2)CC1 ZINC000095887275 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3Cc3cccc(F)c3)O2)CC1 ZINC000095887276 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3Cc3cccc(F)c3)O2)CC1 ZINC000095887277 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cocn2)O1)NCc1cccc(F)c1 ZINC000095887293 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cocn2)O1)NCc1cccc(F)c1 ZINC000095887296 ID Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095887298 ID Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095887300 ID Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095887302 ID Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095887304 ID Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095887305 ID Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095887307 ID Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095887309 ID Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095887312 ID Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21 ZINC000095887650 ID Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21 ZINC000095887651 ID Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21 ZINC000095887652 ID Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000095887653 ID Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000095887654 ID Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000095887655 ID Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21 ZINC000095887656 ID Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000095887657 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1)N1CCCCC1 ZINC000095887745 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1)N1CCCCC1 ZINC000095887746 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccc(F)cc2)O1)N1CCCCC1 ZINC000095887747 ID Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1)N1CCCCC1 ZINC000095887748 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc(F)cc2)O1)N1CCCCC1 ZINC000095887749 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc(F)cc2)O1)N1CCCCC1 ZINC000095887750 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888005 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888006 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888007 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888008 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888009 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888010 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888011 ID Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095888394 ID Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095888395 ID Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095888396 ID Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095888397 ID Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095888398 ID Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095888399 ID Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095888400 ID Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095888401 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888559 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888560 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888561 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888562 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888563 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888564 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888565 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888566 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888862 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888863 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888864 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888865 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888866 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888867 ID Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888868 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)COC)cc3C(=O)N2C)O1 ZINC000095889252 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)COC)cc3C(=O)N2C)O1 ZINC000095889253 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)COC)cc3C(=O)N2C)O1 ZINC000095889254 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)COC)cc3C(=O)N2C)O1 ZINC000095889255 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)COC)cc3C(=O)N2C)O1 ZINC000095889256 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)COC)cc3C(=O)N2C)O1 ZINC000095889257 ID Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)COC)cc3C(=O)N2C)O1 ZINC000095889258 ID Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)COC)cc3C(=O)N2C)O1 ZINC000095889259 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095889411 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095889412 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095889413 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095889414 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095889415 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095889416 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095889487 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095889488 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095889489 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095889490 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095889491 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095889492 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095889493 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095889494 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095889503 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095889504 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095889505 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095889506 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095889507 ID Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095889508 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095889509 ID Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095891491 ID Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095891492 ID Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095891493 ID Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095891494 ID Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095891495 ID Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095891496 ID Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095891497 ID Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095891498 ID Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccno4)cc3C(=O)N2C)O1 ZINC000095891507 ID Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095891988 ID Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095891989 ID Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095891990 ID Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095891991 ID Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095891992 ID Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095891993 ID Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCOC)O[C@H]1CO2 ZINC000095891994 ID Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCOC)O[C@@H]1CO2 ZINC000095891995 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1 ZINC000095892332 ID Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1 ZINC000095892333 ID Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1 ZINC000095892334 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1 ZINC000095892335 ID Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1 ZINC000095892336 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1 ZINC000095892337 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1 ZINC000095892338 ID Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCOCC4)cc3C(=O)N2C)O1 ZINC000095892339 ID Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)OC)O[C@H]1CO2 ZINC000095892365 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095892511 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095892512 ID Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095892513 ID Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095892514 ID Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095892515 ID Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095892516 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095892517 ID Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cnccn4)cc3C(=O)N2C)O1 ZINC000095892518 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899324 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899325 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899326 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899327 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095899328 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@H]1O2 ZINC000095899329 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095899330 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@H]1O2 ZINC000095899331 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095899439 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@@H]1O2 ZINC000095899440 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095899441 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@@H]1O2 ZINC000095899442 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000095899443 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@@H]1O2 ZINC000095899444 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000095899445 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899487 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899488 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899489 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899490 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899491 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899492 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899493 ID Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899722 ID Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899723 ID Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899724 ID Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899725 ID Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899726 ID Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899727 ID Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899728 ID Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899729 ID Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)O)O[C@@H](CO)[C@H]2O3)c1 ZINC000095899805 ID Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)O)O[C@H](CO)[C@@H]2O3)c1 ZINC000095899806 ID Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)O)O[C@@H](CO)[C@@H]2O3)c1 ZINC000095899807 ID Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)O)O[C@H](CO)[C@H]2O3)c1 ZINC000095899808 ID Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)O)O[C@@H](CO)[C@@H]2O3)c1 ZINC000095899809 ID Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)O)O[C@H](CO)[C@H]2O3)c1 ZINC000095899810 ID Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2 ZINC000095899866 ID Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2)C1CCC1 ZINC000095900095 ID Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2)C1CCC1 ZINC000095900096 ID Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2)C1CCC1 ZINC000095900097 ID Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2)C1CCC1 ZINC000095900098 ID Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2)C1CCC1 ZINC000095900099 ID Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2)C1CCC1 ZINC000095900100 ID Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2)C1CCC1 ZINC000095900101 ID Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2)C1CCC1 ZINC000095900102 ID Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900164 ID Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900165 ID Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900166 ID Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900167 ID Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900168 ID Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2 ZINC000095900169 ID Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900170 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@@H]3[C@H](CO)O2)CC1 ZINC000095900179 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@H]3[C@@H](CO)O2)CC1 ZINC000095900180 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@@H]3[C@H](CO)O2)CC1 ZINC000095900181 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@H]3[C@@H](CO)O2)CC1 ZINC000095900182 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@H]3[C@H](CO)O2)CC1 ZINC000095900183 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095900184 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@H]3[C@H](CO)O2)CC1 ZINC000095900185 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)CC5CC5)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095900186 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900264 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900265 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900266 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900267 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900268 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900269 ID Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900306 ID Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900307 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)O)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095900389 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)O)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095900390 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)O)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095900391 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)O)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095900392 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)O)O[C@H](CO)[C@H]2O3)cc1 ZINC000095900393 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)O)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095900394 ID Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)O)O[C@H](CO)[C@H]2O3)cc1 ZINC000095900395 ID Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900396 ID Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900397 ID Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900398 ID Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900399 ID Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900400 ID Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900401 ID Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900402 ID Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900403 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccncc3)O[C@@H](CO)[C@H]1O2 ZINC000095900465 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@@H]1O2 ZINC000095900466 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@@H](CO)[C@H]1O2 ZINC000095900467 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@@H]1O2 ZINC000095900468 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccncc3)O[C@@H](CO)[C@@H]1O2 ZINC000095900469 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@H]1O2 ZINC000095900470 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@@H](CO)[C@@H]1O2 ZINC000095900471 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@H]1O2 ZINC000095900472 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@H]1O2 ZINC000095900511 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@@H]1O2 ZINC000095900512 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@H]1O2 ZINC000095900513 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@@H]1O2 ZINC000095900514 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@@H]1O2 ZINC000095900515 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@H]1O2 ZINC000095900516 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@@H]1O2 ZINC000095900517 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@H]1O2 ZINC000095900518 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901034 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901035 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901036 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901037 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901038 ID Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901039 ID Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901040 ID Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901144 ID Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901145 ID Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901146 ID Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901147 ID Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901148 ID Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901149 ID Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901150 ID Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901151 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCC(F)(F)F)O[C@@H](CO)[C@H]1O2 ZINC000095901232 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC(F)(F)F)O[C@H](CO)[C@@H]1O2 ZINC000095901233 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3cccnc3)O[C@@H](CO)[C@H]1O2 ZINC000095901619 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cccnc3)O[C@H](CO)[C@@H]1O2 ZINC000095901620 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3cccnc3)O[C@@H](CO)[C@H]1O2 ZINC000095901621 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3cccnc3)O[C@H](CO)[C@@H]1O2 ZINC000095901622 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3cccnc3)O[C@@H](CO)[C@@H]1O2 ZINC000095901623 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3cccnc3)O[C@H](CO)[C@H]1O2 ZINC000095901624 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cccnc3)O[C@@H](CO)[C@@H]1O2 ZINC000095901625 ID Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3cccnc3)O[C@H](CO)[C@H]1O2 ZINC000095901626 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901719 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901720 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901721 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901722 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901723 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901724 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901725 ID Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901726 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@H](CO)O2)CC1 ZINC000095901971 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@H]3[C@@H](CO)O2)CC1 ZINC000095901972 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@H](CO)O2)CC1 ZINC000095901973 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@H]3[C@@H](CO)O2)CC1 ZINC000095901974 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@H]3[C@H](CO)O2)CC1 ZINC000095901975 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095901976 ID Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@H]3[C@H](CO)O2)CC1 ZINC000095901977 ID Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095901978 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903207 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903208 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903209 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903211 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903214 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903215 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903216 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903219 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCC1 ZINC000095903233 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCC1 ZINC000095903234 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCC1 ZINC000095903235 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCC1 ZINC000095903236 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCC1 ZINC000095903239 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCC1 ZINC000095903241 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCC1 ZINC000095903242 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCC1 ZINC000095903243 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCCC1 ZINC000095903536 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCCC1 ZINC000095903537 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCCC1 ZINC000095903538 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCCC1 ZINC000095903539 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCCC1 ZINC000095903540 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCCC1 ZINC000095903542 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCCC1 ZINC000095903545 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCCC1 ZINC000095903547 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903839 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903840 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903841 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903842 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903843 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903844 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903845 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903846 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904072 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904073 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904074 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904075 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904076 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904077 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904078 ID Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904079 ID Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095904619 ID Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095904620 ID Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095904621 ID Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095904622 ID Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095904623 ID Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095904624 ID Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095904625 ID Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095904626 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)N1CCc2ccccc2C1 ZINC000095904779 ID Annotated Anodyne O=C(C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)N1CCc2ccccc2C1 ZINC000095904780 ID Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)N1CCc2ccccc2C1 ZINC000095904781 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)N1CCc2ccccc2C1 ZINC000095904782 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)N1CCc2ccccc2C1 ZINC000095904783 ID Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)N1CCc2ccccc2C1 ZINC000095904784 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)N1CCc2ccccc2C1 ZINC000095904785 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)c1ccccc1F ZINC000095904823 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)c1ccccc1F ZINC000095904824 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)c1ccccc1F ZINC000095904825 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)c1ccccc1F ZINC000095904826 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)c1ccccc1F ZINC000095904827 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)c1ccccc1F ZINC000095904828 ID Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)c1ccccc1F ZINC000095904829 ID Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)c1ccccc1F ZINC000095904830 ID Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccccc1 ZINC000095904919 ID Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccccc1 ZINC000095904920 ID Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccccc1 ZINC000095904921 ID Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccccc1 ZINC000095904922 ID Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccccc1 ZINC000095904923 ID Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccccc1 ZINC000095904924 ID Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccccc1 ZINC000095904925 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccncc1 ZINC000095904934 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccncc1 ZINC000095904935 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccncc1 ZINC000095904936 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccncc1 ZINC000095904937 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccncc1 ZINC000095904938 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccncc1 ZINC000095904939 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccncc1 ZINC000095904940 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095904981 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095904982 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095904983 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095904984 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095904985 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095904986 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095904987 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095904988 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccccc1F ZINC000095905075 ID Annotated Anodyne O=C(C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095905076 ID Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccccc1F ZINC000095905077 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095905078 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccccc1F ZINC000095905079 ID Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095905080 ID Annotated Anodyne O=C(C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccccc1F ZINC000095905081 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095905082 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905252 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905253 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905254 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905255 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905256 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905257 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905258 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905259 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1 ZINC000095905632 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095905633 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1 ZINC000095905634 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095905635 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1 ZINC000095905636 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095905637 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1 ZINC000095905638 ID Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095905639 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)Cc3ccccn3)O[C@H]2CO)cc1 ZINC000095905669 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)Cc3ccccn3)O[C@@H]2CO)cc1 ZINC000095905670 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)Cc3ccccn3)O[C@H]2CO)cc1 ZINC000095905671 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)Cc3ccccn3)O[C@@H]2CO)cc1 ZINC000095905672 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)Cc3ccccn3)O[C@H]2CO)cc1 ZINC000095905673 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)Cc3ccccn3)O[C@@H]2CO)cc1 ZINC000095905674 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)Cc3ccccn3)O[C@H]2CO)cc1 ZINC000095905675 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)Cc3ccccn3)O[C@@H]2CO)cc1 ZINC000095905676 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCOCC3)O[C@H]2CO)cc1 ZINC000095905699 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCOCC3)O[C@@H]2CO)cc1 ZINC000095905700 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCOCC3)O[C@H]2CO)cc1 ZINC000095905701 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCOCC3)O[C@@H]2CO)cc1 ZINC000095905702 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCOCC3)O[C@H]2CO)cc1 ZINC000095905703 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCOCC3)O[C@@H]2CO)cc1 ZINC000095905704 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCOCC3)O[C@H]2CO)cc1 ZINC000095905705 ID Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCOCC3)O[C@@H]2CO)cc1 ZINC000095905706 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1 ZINC000095906121 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095906122 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1 ZINC000095906123 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095906124 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095906125 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1 ZINC000095906126 ID Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095906127 ID Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)NCc3ccccn3)O[C@H]2CO)c1 ZINC000095906302 ID Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)c1 ZINC000095906303 ID Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@H](CC(=O)NCc3ccccn3)O[C@H]2CO)c1 ZINC000095906304 ID Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)c1 ZINC000095906305 ID Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@@H](CC(=O)NCc3ccccn3)O[C@H]2CO)c1 ZINC000095906306 ID Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)c1 ZINC000095906307 ID Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)c1 ZINC000095906308 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)cc1 ZINC000095906380 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)cc1 ZINC000095906381 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)cc1 ZINC000095906382 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)cc1 ZINC000095906383 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)cc1 ZINC000095906384 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)cc1 ZINC000095906385 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)cc1 ZINC000095906386 ID Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)cc1 ZINC000095906387 ID Annotated Anodyne O=C(NC1CCCCC1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO ZINC000095906535 ID Annotated Anodyne O=C(NC1CCCCC1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO ZINC000095906536 ID Annotated Anodyne O=C(NC1CCCCC1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO ZINC000095906537 ID Annotated Anodyne O=C(NC1CCCCC1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO ZINC000095906538 ID Annotated Anodyne O=C(NC1CCCCC1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO ZINC000095906539 ID Annotated Anodyne O=C(NC1CCCCC1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO ZINC000095906540 ID Annotated Anodyne O=C(NC1CCCCC1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO ZINC000095906541 ID Annotated Anodyne O=C(NC1CCCCC1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO ZINC000095906542 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)NCc3ccccn3)O[C@H]2CO)cc1 ZINC000095906746 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)cc1 ZINC000095906747 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2C=C[C@H](CC(=O)NCc3ccccn3)O[C@H]2CO)cc1 ZINC000095906748 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2C=C[C@@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)cc1 ZINC000095906749 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2C=C[C@@H](CC(=O)NCc3ccccn3)O[C@H]2CO)cc1 ZINC000095906750 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2C=C[C@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)cc1 ZINC000095906751 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)NCc3ccccn3)O[C@H]2CO)cc1 ZINC000095906752 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)cc1 ZINC000095906753 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccccc1F ZINC000095906754 ID Annotated Anodyne O=C(C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095906755 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccccc1F ZINC000095906756 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095906757 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccccc1F ZINC000095906758 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095906759 ID Annotated Anodyne O=C(C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccccc1F ZINC000095906760 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095906761 ID Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@@H](NC(=O)c4cnccn4)[C@H](CO)O3)nn2)cc1 ZINC000095906844 ID Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@H](NC(=O)c4cnccn4)[C@@H](CO)O3)nn2)cc1 ZINC000095906845 ID Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@H](NC(=O)c4cnccn4)[C@H](CO)O3)nn2)cc1 ZINC000095906846 ID Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@@H](NC(=O)c4cnccn4)[C@@H](CO)O3)nn2)cc1 ZINC000095906847 ID Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@@H](NC(=O)c4cnccn4)[C@H](CO)O3)nn2)cc1 ZINC000095906848 ID Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@H](NC(=O)c4cnccn4)[C@@H](CO)O3)nn2)cc1 ZINC000095906849 ID Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@H](NC(=O)c4cnccn4)[C@H](CO)O3)nn2)cc1 ZINC000095906850 ID Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@@H](NC(=O)c4cnccn4)[C@@H](CO)O3)nn2)cc1 ZINC000095906851 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 ZINC000095906938 ID Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906939 ID Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 ZINC000095906940 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906941 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 ZINC000095906942 ID Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906943 ID Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 ZINC000095906944 ID Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906945 ID Annotated Anodyne O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095907088 ID Annotated Anodyne O=C(Cc1cccnc1)N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095907089 ID Annotated Anodyne O=C(Cc1cccnc1)N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095907090 ID Annotated Anodyne O=C(Cc1cccnc1)N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095907091 ID Annotated Anodyne O=C(Cc1cccnc1)N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095907092 ID Annotated Anodyne O=C(Cc1cccnc1)N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095907093 ID Annotated Anodyne O=C(Cc1cccnc1)N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO ZINC000095907094 ID Annotated Anodyne O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO ZINC000095907095 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1 ZINC000095907196 ID Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccncn1 ZINC000095907197 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1 ZINC000095907198 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccncn1 ZINC000095907199 ID Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1 ZINC000095907200 ID Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccncn1 ZINC000095907201 ID Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccncn1 ZINC000095907202 ID Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccncn1 ZINC000095907203 ID Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095907212 ID Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095907213 ID Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095907214 ID Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095907215 ID Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095907216 ID Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095907217 ID Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095907218 ID Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095907219 ID Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Cc2ccccn2)O[C@H]1CO ZINC000095907781 ID Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)Cc2ccccn2)O[C@H]1CO ZINC000095907782 ID Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)Cc2ccccn2)O[C@@H]1CO ZINC000095907783 ID Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@H](CCNC(=O)Cc2ccccn2)O[C@@H]1CO ZINC000095907784 ID Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)Cc2ccccn2)O[C@H]1CO ZINC000095907785 ID Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)Cc2ccccn2)O[C@@H]1CO ZINC000095907786 ID Annotated Anodyne COc1ccccc1NC(=O)N[C@H]1CC[C@H](CCNC(=O)Cc2ccccn2)O[C@H]1CO ZINC000095907787 ID Annotated Anodyne COc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Cc2ccccn2)O[C@@H]1CO ZINC000095907788 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1cnccn1 ZINC000095907826 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1cnccn1 ZINC000095907827 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO)c1cnccn1 ZINC000095907828 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO)c1cnccn1 ZINC000095907829 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1cnccn1 ZINC000095907830 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO)c1cnccn1 ZINC000095907831 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1cnccn1 ZINC000095907832 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO)c1cnccn1 ZINC000095907833 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCNC(=O)Cc3ccncc3)O[C@H]2CO)cc1 ZINC000095907834 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCNC(=O)Cc3ccncc3)O[C@@H]2CO)cc1 ZINC000095907835 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCNC(=O)Cc3ccncc3)O[C@H]2CO)cc1 ZINC000095907836 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCNC(=O)Cc3ccncc3)O[C@@H]2CO)cc1 ZINC000095907837 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCNC(=O)Cc3ccncc3)O[C@H]2CO)cc1 ZINC000095907838 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCNC(=O)Cc3ccncc3)O[C@@H]2CO)cc1 ZINC000095907839 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCNC(=O)Cc3ccncc3)O[C@H]2CO)cc1 ZINC000095907840 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCNC(=O)Cc3ccncc3)O[C@@H]2CO)cc1 ZINC000095907841 ID Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095907886 ID Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095907887 ID Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095907888 ID Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095907889 ID Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095907890 ID Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095907891 ID Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095907892 ID Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095907893 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095907986 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095907987 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095907988 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095907989 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095907990 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095907991 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095907992 ID Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095907993 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CC(=O)NCc3ccccn3)O[C@H]2CO)cc1 ZINC000095908018 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)cc1 ZINC000095908019 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)NCc3ccccn3)O[C@H]2CO)cc1 ZINC000095908020 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)cc1 ZINC000095908021 ID Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CC(=O)NCc3ccccn3)O[C@H]2CO)cc1 ZINC000095908022 ID Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)cc1 ZINC000095908023 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)c1ccccc1F ZINC000095908181 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)c1ccccc1F ZINC000095908182 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)c1ccccc1F ZINC000095908183 ID Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)c1ccccc1F ZINC000095908184 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)c1ccccc1F ZINC000095908185 ID Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)c1ccccc1F ZINC000095908186 ID Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)c1ccccc1F ZINC000095908187 ID Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)c1ccccc1F ZINC000095908188 ID Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC(C)=O ZINC000095909267 ID Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)([C@@H](OC(C)=O)C[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]32C)[C@H]1O ZINC000095909324 ID Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)([C@@H](OC(C)=O)C[C@@H]2C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]32C)[C@H]1O ZINC000095909326 ID Annotated Mild in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21 ZINC000095909467 ID Annotated Reactive in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CC[C@@]2(C)CO[C@H](OC)[C@@H]12 ZINC000095910147 ID Annotated Mild in-vitro biogenic CC(=O)O[C@@]1(C)C(=O)C=C2C(=CO[C@@]3(O[C@@H](C)CC[C@H]3O)[C@@H]2C/C=C(\C)C(=O)O)C1=O ZINC000095910295 ID Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](OC(C)=O)[C@@H]4C(C)(C)[C@@H](O)CC5=O)[C@]3(C2)[C@@H]1OC(C)=O ZINC000095911573 ID Annotated Mild in-vitro biogenic C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)[C@@H](O)[C@H](OC(=O)c7ccccc7)C[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2 ZINC000095912311 ID Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C[C@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]23C)[C@@H]1OC(C)=O ZINC000095912335 ID Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@](C)(CC[C@@H](OS(=O)(=O)O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)OC[C@@H]1O ZINC000095912382 ID Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C(=O)[C@@H]3OC(C)=O ZINC000095912808 ID Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000095913308 ID Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@@](C)(COC(C)=O)CC[C@H]2OC(C)=O ZINC000095913447 ID Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4[C@@H](OC(C)=O)[C@H](O)[C@]3(C2)[C@@H]1O ZINC000095913481 ID Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C[C@H](OC(C)=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@@H](O)[C@]23C)[C@@H]1O ZINC000095913484 ID Annotated Mild in-vitro biogenic CO[C@@H]1C=C(CO)[C@@H]2C1=C(COC(=O)CC(C)C)[C@@](O)(OC)O[C@H]2OC(=O)CC(C)C ZINC000095914221 ID Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](/C=C\[C@@H]1OC(=O)C=C[C@@H]1OC(C)=O)C[C@@H](OC(C)=O)[C@H](C)OC(C)=O ZINC000095914227 ID Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C[C@@H](OC(C)=O)C[C@](C)(CO)[C@H]1COC(C)=O ZINC000095914743 ID Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]52[C@@H]3[C@@H](OC(C)=O)C[C@@H]14 ZINC000095914932 ID Annotated Mild in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21 ZINC000095919039 ID Annotated Reactive in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C2)[C@H]1O ZINC000095919441 ID Annotated Mild in-vitro biogenic Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(S(=O)(=O)Nc3nccs3)cc1)CN2 ZINC000095920774 ID Annotated Anodyne CC(=O)N[C@H]1CCN(c2ccc(C3=NO[C@H](CNS(=O)(=O)C(C)C)C3)cc2F)C1 ZINC000095921016 ID Annotated Anodyne CCCCN1CCS(=O)(=O)N(Cc2cn(Cc3ccc(C)cc3)nn2)[C@H](C(=O)OC)C1 ZINC000096019084 ID Annotated Anodyne COC(=O)[C@@H]1CN(C2CCCC2)CCS(=O)(=O)N1Cc1cn(Cc2ccccc2)nn1 ZINC000096019801 ID Annotated Anodyne COC(=O)[C@H]1CN(C2CCCC2)CCS(=O)(=O)N1Cc1cn(Cc2ccccc2)nn1 ZINC000096019803 ID Annotated Anodyne CCCN1CCS(=O)(=O)N(Cc2cn(Cc3ccc(C)cc3)nn2)[C@H](C(=O)OC)C1 ZINC000096019825 ID Annotated Anodyne O=S1(=O)C[C@@H](N2CCSCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000096020837 ID Annotated Anodyne O=S1(=O)C[C@H](N2CCSCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000096020838 ID Annotated Anodyne O=S1(=O)C[C@@H](N2CCSCC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020851 ID Annotated Anodyne O=S1(=O)C[C@H](N2CCSCC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020852 ID Annotated Anodyne CO[C@H]1C(=O)C[C@]23C[C@H](CC(C)=O)N(C)[C@@]24C[C@H](O[C@@]14OC)c1cc2c(cc13)OCO2 ZINC000096085665 ID Annotated Anodyne CC(=O)NCC[C@H](NC(=O)CC[C@]1(C)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@@]4(C)C2)[C@H]31)C(=O)O ZINC000096085968 ID Annotated Mild in-vitro Cc1nc2c(c(C(F)(F)F)n1)CCN(C(=O)C[C@H](N)CN1C(=O)CCC(F)(F)C1=O)C2 ZINC000096167455 ID Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CCN(S(=O)(=O)C1CC1)C[C@@H]2O ZINC000096167526 ID Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CCN(S(=O)(=O)C1CC1)C[C@@H]2O ZINC000096167527 ID Annotated Anodyne C/C(=N\O[C@H]1CCN(C(N)=O)C1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 ZINC000096170323 ID Annotated Mild COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(F)ccc3F)C2)nc(OC)c1F ZINC000096173851 ID Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3c(F)cc(F)cc3F)C2)nc(C)c1F ZINC000096173854 ID Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3)C2)nc(C2CC2)c1F ZINC000096173860 ID Annotated Anodyne CCc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(F)ccc3F)C2)nc(OC)c1F ZINC000096173870 ID Annotated Anodyne CCc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(OC)c1F ZINC000096173871 ID Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3c(F)ccc(F)c3F)C2)nc(C)c1F ZINC000096173879 ID Annotated Anodyne CN(C)c1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4cc[nH]n4)c3=O)cc12 ZINC000096176299 ID Annotated Mild N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CO[C@@H]1c1cc(F)c(F)cc1F ZINC000096177965 ID Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CO[C@H]1c1cc(F)c(F)cc1F ZINC000096177966 ID Annotated Anodyne CC(=O)NS(=O)(=O)[C@@H](Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000096258529 ID Annotated Anodyne CC(=O)NS(=O)(=O)[C@H](Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000096258531 ID Annotated Anodyne CCOC(=O)c1cnc(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)c(Cl)c1 ZINC000096272843 ID Annotated Anodyne CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)nc1C ZINC000096272851 ID Annotated Mild CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)CC3CCCCC3)C2)nc1C ZINC000096283082 ID Annotated Mild O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC000096283571 ID Annotated Anodyne CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc3cc(OC)ccc3n2)c1=O ZINC000096284188 ID Annotated Mild CNc1cc(-c2cc(NC(=O)[C@H](Cc3ccc(F)cc3)NCC(N)=O)n(C)n2)ccn1 ZINC000096284435 ID Annotated Anodyne CNc1cc(-c2cc(NC(=O)[C@H](Cc3ccc(F)cc3)NCC(=O)O)n(C)n2)ccn1 ZINC000096284444 ID Annotated Anodyne O=C1OCCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21 ZINC000096286270 ID Annotated Anodyne O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21 ZINC000096286275 ID Annotated Anodyne Cc1c(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O ZINC000096286284 ID Annotated Anodyne Cc1cc(-n2cnnn2)ccc1CC(=O)N1CCN(CCc2ccc3c(c2)COC3=O)CC1 ZINC000096286300 ID Annotated Anodyne COc1ccccc1OC[C@H]1SCCN1C(=O)CSC(=O)CN1CCN(C)CC1 ZINC000096902348 ID Annotated Anodyne COc1ccccc1OC[C@@H]1SCCN1C(=O)CSC(=O)CN1CCN(C)CC1 ZINC000096902349 ID Annotated Anodyne CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)CO ZINC000096902391 ID Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OC[C@@H]1S[C@H](CC=O)S[C@@H]1COC(=O)[C@@H](N)[C@@H](C)CC ZINC000096903558 ID Annotated Mild CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CO ZINC000096903751 ID Annotated Anodyne CC(=O)OC[C@@]1(O)[C@@H](O)C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21 ZINC000096903760 ID Annotated Anodyne CC(C)C[C@H](N)C(=O)OC[C@@H]1S[C@H](CC=O)S[C@@H]1COC(=O)[C@@H](N)CC(C)C ZINC000096903891 ID Annotated Mild Nc1c(/N=N/c2ccc(Br)cc2)c(=O)nc2sc(S(N)(=O)=O)nn12 ZINC000096907267 ID Annotated Clean O=C1O[C@@H](Cn2ccnn2)[C@@H]2COc3cc(-c4ccc(Cn5ccnn5)nc4)ccc3N12 ZINC000096907348 ID Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)[C@@H]2COc3cc(-c4ccc(Cn5cncn5)nc4)ccc3N12 ZINC000096907360 ID Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)[C@@H]2COc3cc(-c4ccc(Cn5ncnn5)nc4)ccc3N12 ZINC000096907361 ID Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)[C@@H]2COc3cc(-c4ccc(Cn5cnnn5)nc4)ccc3N12 ZINC000096907362 ID Annotated Anodyne Cn1nnnc1-c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1 ZINC000096907364 ID Annotated Anodyne Cn1nnc(-c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](Cn5ccnn5)OC(=O)N43)cn2)n1 ZINC000096907365 ID Annotated Anodyne N#Cc1c(-c2ccccc2)nc(SC[C@H](O)CN2CCOCC2)nc1N1CCOCC1 ZINC000096910360 ID Annotated Mild N#Cc1c(-c2ccccc2)nc(SC[C@@H](O)CN2CCOCC2)nc1N1CCOCC1 ZINC000096910361 ID Annotated Mild N#Cc1c(-c2ccco2)nc(SC[C@H](O)CN2CCOCC2)nc1N1CCOCC1 ZINC000096910362 ID Annotated Mild N#Cc1c(-c2ccco2)nc(SC[C@@H](O)CN2CCOCC2)nc1N1CCOCC1 ZINC000096910363 ID Annotated Mild CC(C)(C)OC(=O)N(CCn1nnc2c(C(N)=O)ncn2c1=O)c1ccc(Cl)cc1 ZINC000096910814 ID Annotated Anodyne O=C1N[C@@H]2c3nc4ccccc4c(=O)n3[C@H]1C[C@@]21c2ccccc2N2C(=O)[C@@H]3CCCN3[C@H]21 ZINC000096923257 ID Annotated Anodyne O=C1N[C@@H]2c3nc4ccccc4c(=O)n3[C@H]1C[C@]21c2ccccc2N2C(=O)[C@@H]3CCCN3[C@H]21 ZINC000096923258 ID Annotated Anodyne CC[C@@H]1CCN2C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)cc4F)cn3C[C@@H]2O1 ZINC000096923821 ID Annotated Anodyne CC[C@H]1CCN2C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)cc4F)cn3C[C@H]2O1 ZINC000096923822 ID Annotated Anodyne CC(C)[C@@H]1CCN2C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)cc4F)cn3C[C@@H]2O1 ZINC000096927621 ID Annotated Anodyne CC(C)[C@H]1CCN2C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)cc4F)cn3C[C@H]2O1 ZINC000096927622 ID Annotated Anodyne CC(C)[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 ZINC000096927637 ID Annotated Anodyne CC(C)[C@@H]1CO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 ZINC000096927638 ID Annotated Anodyne CC[C@H](C)[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 ZINC000096927639 ID Annotated Anodyne CC(C)(C)[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 ZINC000096927641 ID Annotated Anodyne CC(C)C[C@@H]1CO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 ZINC000096927642 ID Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)O[C@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(C)C ZINC000096928037 ID Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)O[C@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(C)C ZINC000096928038 ID Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(C)C ZINC000096928052 ID Annotated Anodyne CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1O)C(=S)c1ccccc1O ZINC000096929527 ID Annotated Reactive CN(NC(=O)CC(=O)NN(C)C(=S)c1ccc(N)cc1)C(=S)c1ccc(N)cc1 ZINC000096929528 ID Annotated Reactive COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCCNCCCN)cc(OC)c1C2=O ZINC000096932561 ID Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCNOCC4)nc3)c(F)c2)C(=O)O1 ZINC000096933621 ID Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(N3CCNOCC3)nc2)c(F)c1 ZINC000096933622 ID Annotated Anodyne NC(=O)N1CCN(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CCN1 ZINC000096933626 ID Annotated Anodyne Nc1nn(CC(=O)N2CCN(CCO)CC2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000096934520 ID Annotated Anodyne CC(=O)N1CCN(c2c(F)cc(N3C[C@H](CNC(C)=S)OC3=O)cc2F)CCO1 ZINC000096937706 ID Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F ZINC000098068746 ID Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCC(=O)OCCCO)CN1C ZINC000098082155 ID Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCCC(=O)OCCO)CN1C ZINC000098082343 ID Annotated Anodyne COC(=O)/C(=C/c1ccc(OC)c(OC)c1)Cn1nnn(-c2ccc(OC)cc2)c1=O ZINC000098082580 ID Annotated Anodyne O=C(CCl)Sc1nnc(-c2cc(=O)[nH]c3[nH]c(=O)[nH]c(=O)c23)n1-c1ccc(F)cc1 ZINC000098083711 ID Annotated Reactive N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@]12C(=O)N(CCBr)c1ccccc12 ZINC000098083901 ID Annotated Reactive N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@@]12C(=O)N(CCBr)c1ccccc12 ZINC000098083902 ID Annotated Reactive Cc1cc(O)c(-c2csc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)n2)c(=O)o1 ZINC000098084003 ID Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCC(=O)OCCO)CN1C ZINC000098084268 ID Annotated Anodyne O=S(=O)(/C=C/c1ccc(O)c(O)c1O)CS(=O)(=O)/C=C/c1ccc(O)c(O)c1O ZINC000098084872 ID Annotated Clean Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(N(C)CCN(C)C)n1 ZINC000098195013 ID Annotated Anodyne CC1=C(O)/C(=C\N=C(/Cc2ccc(O)c(F)c2)C(=O)O)C(COP(=O)(O)O)=CN1 ZINC000098209289 ID Annotated Mild CN1CCN(C(=O)c2cc(-c3nnc4ccc(Br)cn34)c(O)cc2O)CC1 ZINC000098209368 ID Annotated Anodyne