CNC(=O)NC(=O)Cc1cc2c(cc1Cc1ccc(N)cc1)OCO2 ZINC000000003612 ED Annotated Clean CS(=O)(=O)c1c(F)cc(-c2cc(C(N)=O)c(Cl)nn2)cc1F ZINC000000006919 ED Annotated Anodyne COC1=CC(=O)c2c(c(COC(C)=O)c3n2CC[C@@H]3OC(C)=O)C1=O ZINC000000007841 ED Annotated Mild CCNC(=O)OCc1c2c(n3c1[C@@H](O)CC3)C(=O)C(C)=C(OC)C2=O ZINC000000007842 ED Annotated Mild CNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000000008525 ED Annotated Anodyne CCOc1c(C(=O)Nc2nnn[nH]2)sc(C)c1Br ZINC000000009644 ED Annotated Anodyne CNCC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21 ZINC000000011638 ED Annotated Anodyne CCOC(=O)NC(=O)C[C@H]1C(=O)N(C)C(=O)c2ccc(Cl)cc21 ZINC000000014258 ED Annotated Anodyne N=C(N)c1ccc(N2CCC(C3CCN(CC(=O)O)CC3)CC2)cc1 ZINC000000015847 ED Annotated Anodyne NC(=O)OCc1c2c(n3c1[C@@H]1C[C@@H]1C3)C(=O)C=C(N1CCCC1)C2=O ZINC000000018575 ED Annotated Mild C[n+]1c(-c2ccc(/C=N/NC3=NCCCN3)cc2)cn2ccccc21 ZINC000000020216 ED Annotated Mild O=C(O)CN1CC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000000021294 ED Annotated Bother COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H](C)O)cc1 ZINC000000082144 ED Annotated Mild COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H](C)O)cc1 ZINC000000082157 ED Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H](C)O)cc1 ZINC000000082170 ED Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H](C)O)cc1 ZINC000000082180 ED Annotated Mild CCCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000000085770 ED Annotated Anodyne CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000000085791 ED Annotated Anodyne CN(C)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000000109652 ED Annotated Anodyne COc1ccc2o/c(=N\NC(=O)c3cccs3)c(C(N)=O)cc2c1 ZINC000000194680 ED Annotated Reactive O=C(CN1CCCC1)N1CCCc2c1c(=O)oc1ccc(O)cc21 ZINC000000200401 ED Annotated Anodyne CCn1cc(C(=O)NCCN(C)C)c2cc(OC)c(OC)cc2c1=O ZINC000000200568 ED Annotated Anodyne O=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc(F)cc1 ZINC000000200598 ED Annotated Anodyne O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccccc1 ZINC000000200601 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc(F)c(F)c1 ZINC000000212449 ED Annotated Anodyne O=C(CCS(=O)(=O)c1cccc2nonc12)NCc1ccccc1 ZINC000000212832 ED Annotated Anodyne CC[C@H]1CCCCN1CCNS(=O)(=O)c1cccc2nonc12 ZINC000000212890 ED Annotated Anodyne CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cccc2nonc12 ZINC000000212891 ED Annotated Anodyne COc1ccccc1-n1c(SCC(N)=O)nc2c(c1=O)SCC2 ZINC000000213959 ED Annotated Anodyne O=C(O)c1c[nH]c2ccc(S(=O)(=O)NCc3ccco3)cc2c1=O ZINC000000216008 ED Annotated Anodyne CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000000218053 ED Annotated Anodyne CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000000218055 ED Annotated Anodyne Cc1ccc(C2=NN(CC(=O)NC[C@H]3CCCO3)C(=O)CC2)cc1 ZINC000000220080 ED Annotated Anodyne Cc1ccc(C2=NN(CC(=O)NC[C@@H]3CCCO3)C(=O)CC2)cc1 ZINC000000220082 ED Annotated Anodyne Cc1ccc(C2=NN(CCC(=O)N3CCOCC3)C(=O)CC2)cc1 ZINC000000221039 ED Annotated Anodyne Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cccc3nonc23)cc1 ZINC000000224288 ED Annotated Clean O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCC1=CCCCC1 ZINC000000224690 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1ccccc1 ZINC000000224746 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1F ZINC000000224763 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCC(=O)N1CCc2ccccc21 ZINC000000224769 ED Annotated Anodyne CC1CCC(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 ZINC000000224775 ED Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000000224777 ED Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@@H](O)C3)nc2nc1Cc1ccccc1 ZINC000000232998 ED Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@H](O)C3)nc2nc1Cc1ccccc1 ZINC000000233003 ED Annotated Anodyne CC[C@@H](C)c1nc2nc(N(C[C@H](C)O)C[C@H](C)O)ccc2nc1O ZINC000000233138 ED Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@H]3CO)nc2nc1Cc1ccccc1 ZINC000000233335 ED Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@@H]3CO)nc2nc1Cc1ccccc1 ZINC000000233342 ED Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@H](C)O[C@H](C)C3)ccc2[nH]c1=O ZINC000000233402 ED Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@@H](C)O[C@H](C)C3)ccc2[nH]c1=O ZINC000000233406 ED Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@H](C)O[C@@H](C)C3)ccc2[nH]c1=O ZINC000000233408 ED Annotated Anodyne CCOC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 ZINC000000233518 ED Annotated Anodyne O=c1[nH]c2ccc(N3CCC(O)CC3)nc2nc1Cc1ccccc1 ZINC000000233794 ED Annotated Anodyne C[C@@H]1CN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)C[C@@H](C)O1 ZINC000000252451 ED Annotated Anodyne C[C@H]1CN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)C[C@H](C)O1 ZINC000000252457 ED Annotated Anodyne COc1ccc(-n2c(=O)cc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)cc1 ZINC000000252533 ED Annotated Anodyne COc1ccc(-n2c(=O)cc(N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)cc1 ZINC000000252538 ED Annotated Anodyne Cc1ccccc1-n1c(=O)cc(N2CCC3(CC2)OCCO3)[nH]c1=O ZINC000000252572 ED Annotated Anodyne O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000000263229 ED Annotated Anodyne O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000000263233 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)NCc1ccccc1 ZINC000000270824 ED Annotated Anodyne CCS(=O)(=O)c1ccc(O)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 ZINC000000287557 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccccc1 ZINC000000312456 ED Annotated Anodyne COC1=C[C@@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)C3=CC1=O ZINC000000338170 ED Annotated Mild O=C(N/N=C/c1cccnc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000000355918 ED Annotated Reactive CCN(CC)S(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl ZINC000000386195 ED Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@@H](O)O[C@@H]1O2 ZINC000000402701 ED Annotated Anodyne in-man biogenic CCC[C@@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1 ZINC000000413444 ED Annotated Anodyne Cc1ccc(C(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1 ZINC000000414731 ED Annotated Anodyne Cc1ccc2c(c1)N([C@@H](C)C(=O)NCc1ccccn1)C(=O)CO2 ZINC000000423173 ED Annotated Anodyne Cc1ccc2c(c1)N([C@H](C)C(=O)NCc1ccccn1)C(=O)CO2 ZINC000000423174 ED Annotated Anodyne Cn1cc(C(=O)NC[C@H]2CCCO2)c2c3ccccc3n(C)c2c1=O ZINC000000423568 ED Annotated Anodyne Cn1cc(C(=O)NC[C@@H]2CCCO2)c2c3ccccc3n(C)c2c1=O ZINC000000423569 ED Annotated Anodyne O=c1[nH]c2ccccc2c(=O)n1CCC/C(O)=N/C[C@H]1CCCO1 ZINC000000424173 ED Annotated Mild O=c1[nH]c2ccccc2c(=O)n1CCC/C(O)=N/C[C@@H]1CCCO1 ZINC000000424174 ED Annotated Mild CCOc1cc2[nH]c(=O)n(CCCC(=O)O)c(=O)c2cc1OCC ZINC000000424193 ED Annotated Anodyne Cc1ccc(-n2c(=O)c3sccc3n(CC(N)=O)c2=O)cc1F ZINC000000426827 ED Annotated Anodyne NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2ccc(Cl)cc21 ZINC000000427313 ED Annotated Anodyne NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2cc(Cl)ccc21 ZINC000000427319 ED Annotated Anodyne COc1ccc(-c2nc(N3CCN(C)CC3)nc(O)c2C#N)cc1 ZINC000000427939 ED Annotated Mild O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1ccco1 ZINC000000428430 ED Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)C1=O)NC[C@H]1CCCO1 ZINC000000428431 ED Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)C1=O)NC[C@@H]1CCCO1 ZINC000000428432 ED Annotated Anodyne O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1ccco1 ZINC000000428795 ED Annotated Anodyne Cn1c(=O)cc(SCC(=O)NC[C@H]2CCCO2)c2ccccc21 ZINC000000429692 ED Annotated Anodyne Cn1c(=O)cc(SCC(=O)NC[C@@H]2CCCO2)c2ccccc21 ZINC000000429693 ED Annotated Anodyne COc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(F)cc1 ZINC000000444553 ED Annotated Mild COc1ccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000000467238 ED Annotated Anodyne COC(=O)CN(C(C)=O)c1nc(C)c(Br)c(OC)n1 ZINC000000469041 ED Annotated Anodyne C=C1C/C(=C\C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@@H]23 ZINC000000488392 ED Annotated Mild COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@@H]13)O2 ZINC000000491201 ED Annotated Anodyne COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@@H]13)O2 ZINC000000491203 ED Annotated Anodyne Cc1cc(O)cc(O)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 ZINC000001021232 ED Annotated Reactive Cc1cc(O)cc(O)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 ZINC000001021234 ED Annotated Reactive CC(=O)NN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S ZINC000001028563 ED Annotated Clean Cc1nn(-c2ccccc2)nc1CNS(=O)(=O)c1c(C)noc1C ZINC000001034903 ED Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)C2(CCCC2)[C@H](C(N)=O)C(=O)N1 ZINC000001123418 ED Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)C2(CCCC2)[C@@H](C(N)=O)C(=O)N1 ZINC000001123420 ED Annotated Anodyne Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccc2c(c1)OCO2 ZINC000001325422 ED Annotated Anodyne O=c1[nH]c2cc([N+](=O)[O-])ccc2cc1NS(=O)(=O)C(F)(F)F ZINC000001483136 ED Annotated Bother O=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1[C@@H]3N1CC=CC1=O ZINC000001485209 ED Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)C(=O)/C=C/[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@H]12 ZINC000100003068 ED Annotated Mild in-vitro biogenic O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@H]2S(=O)(=O)N1CCCCc1ccncc1 ZINC000100009121 ED Annotated Anodyne O=C1[C@@H]2[C@@H]([C@H]3CC[C@H]2O3)S(=O)(=O)N1CCCCc1ccncc1 ZINC000100009124 ED Annotated Anodyne O=C1[C@H]2[C@H]([C@H]3C=C[C@H]2C3)S(=O)(=O)N1CCCCc1ccncc1 ZINC000100009864 ED Annotated Anodyne O=C1[C@@H]2[C@H]([C@H]3C=C[C@H]2C3)S(=O)(=O)N1CCCCc1ccncc1 ZINC000100009866 ED Annotated Anodyne N[C@@H](C[C@@H]1C/C(=N/[C@@H]2C[C@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000100031011 ED Annotated Mild in-vivo COc1cc(C)c2ccc(O)c(C(=O)O[C@@H]3[C@@H](O)C=C[C@H]3O)c2c1 ZINC000100036551 ED Annotated Anodyne in-vivo CN1C(O)=C(C(=O)Nc2ccccn2)c2ccccc2S1(=O)=O ZINC000100055787 ED Annotated Anodyne CN1C(=O)C=C(N2CCC[C@@H](N)C2)[C@H](Cc2ccccc2C#N)C1=O ZINC000100065296 ED Annotated Mild CN1C(=O)C=C(N2CCC[C@@H](N)C2)[C@@H](Cc2ccccc2C#N)C1=O ZINC000100065299 ED Annotated Mild O=C1NC(=O)[C@@H]2[C@@H]3C=C([C@@](O)(c4ccccc4)c4ccccn4)[C@H](C3)[C@H]12 ZINC000100067508 ED Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]3C=C([C@](O)(c4ccccc4)c4ccccn4)[C@H](C3)[C@H]12 ZINC000100067510 ED Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C([C@@](O)(c3ccccc3)c3ccccn3)[C@@H]2C1 ZINC000100067514 ED Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C([C@](O)(c3ccccc3)c3ccccn3)[C@@H]2C1 ZINC000100067517 ED Annotated Anodyne C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)n4nccc34)C(=O)[C@@H]12 ZINC000100075882 ED Annotated Mild C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)n4nccc34)C(=O)[C@@H]12 ZINC000100075884 ED Annotated Mild C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3c(N)ccc4nccn34)C(=O)[C@@H]12 ZINC000100075894 ED Annotated Anodyne C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3c(N)ccc4nccn34)C(=O)[C@@H]12 ZINC000100075898 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]4O[C@H]5O[C@@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@H]3CC[C@@H]14 ZINC000100076984 ED Annotated Mild in-vitro biogenic CS(=O)(=O)N1C[C@@H]2[C@H](c3ccccc3)[C@H](C1)N2CC(F)(F)F ZINC000100082845 ED Annotated Anodyne CS(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(Br)cc1 ZINC000100083059 ED Annotated Anodyne CN1C[C@H]2C(c3ccc(Br)cc3)[C@H](C1)N2S(C)(=O)=O ZINC000100083858 ED Annotated Anodyne CN1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2S(C)(=O)=O ZINC000100083861 ED Annotated Anodyne CN1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2S(C)(=O)=O ZINC000100083865 ED Annotated Anodyne CN1C[C@@H]2C(c3ccc(Br)cc3)[C@@H](C1)N2S(C)(=O)=O ZINC000100083868 ED Annotated Anodyne CS(=O)(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@H]2c1ccccc1 ZINC000100084857 ED Annotated Anodyne CC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2C(C)=O ZINC000100084906 ED Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2C(C)=O ZINC000100085148 ED Annotated Anodyne CN1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100085378 ED Annotated Anodyne CN1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100085556 ED Annotated Anodyne CS(=O)(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@@H]2c1ccccc1 ZINC000100086580 ED Annotated Anodyne CCOC(=O)C1=C(O)/C(=C/c2ccc(OCC(N)=O)cc2)N=C1C ZINC000100086804 ED Annotated Anodyne CS(=O)(=O)N1C[C@H]2N[C@H](C1)C2c1ccc(Br)cc1 ZINC000100088964 ED Annotated Anodyne CS(=O)(=O)N1C[C@@H]2N[C@@H](C1)C2c1ccc(Br)cc1 ZINC000100088970 ED Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)CN4CCOCC4)C[C@@H]2N3)cc1 ZINC000100107741 ED Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)CN4CCOCC4)C[C@@H]2N3)cc1 ZINC000100107743 ED Annotated Anodyne CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100108804 ED Annotated Anodyne CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100108808 ED Annotated Anodyne OCCO[C@@H]1C[C@@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F ZINC000100114828 ED Annotated Reactive OCCO[C@@H]1C[C@@H]2[C@@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F ZINC000100114831 ED Annotated Reactive CC[C@@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000100131639 ED Annotated Anodyne in-vitro C[C@]12C(=O)O[C@]3(CC[C@@H]1O)[C@@H]1CC[C@@H]4C[C@]1(C[C@]41CO1)[C@@H](C(=O)O)[C@H]23 ZINC000100191492 ED Annotated Anodyne in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100199861 ED Annotated Mild in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100204787 ED Annotated Mild in-vitro CC[C@@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O ZINC000100296856 ED Annotated Anodyne CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O ZINC000100296858 ED Annotated Anodyne CC[C@@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O ZINC000100296862 ED Annotated Anodyne CC[C@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O ZINC000100296865 ED Annotated Anodyne CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 ZINC000100301713 ED Annotated Anodyne C=C1OC(=O)C2=C1O[C@H]1[C@H](O)[C@]3(O)CCCC[C@@H]3[C@](C)(C2=O)[C@@H]1C ZINC000100305195 ED Annotated Mild in-vitro C=C1OC(=O)C2=C1O[C@H]1[C@H](O)[C@]3(O)CCCC[C@@H]3[C@](C)(C2=O)[C@H]1C ZINC000100305200 ED Annotated Mild in-vitro C[C@@H]1OC(=O)C2=C1O[C@H]1[C@H](O)[C@]3(O)CCCC[C@@H]3[C@](C)(C2=O)[C@@H]1C ZINC000100305220 ED Annotated Mild in-vitro C[C@@H]1OC(=O)C2=C1O[C@H]1[C@H](O)[C@]3(O)CCCC[C@@H]3[C@](C)(C2=O)[C@H]1C ZINC000100305223 ED Annotated Mild in-vitro CCC[C@H]1O[C@@H](CC(=O)O)C[C@@]23O[C@]12C(=O)c1c(O)cccc1C3=O ZINC000100306843 ED Annotated Clean in-vitro CCC[C@@H]1O[C@@H](CC(=O)O)C[C@@]23O[C@]12C(=O)c1c(O)cccc1C3=O ZINC000100306848 ED Annotated Clean in-vitro C[C@@H]1CCC(=O)C2=C3O[C@@]4(C)[C@H](C)C[C@@]3(OC2=O)[C@@H](/C=C\[C@H]1O)[C@H]4O ZINC000100307746 ED Annotated Mild in-vitro C[C@@H]1CCC(=O)C2=C3O[C@@]4(C)[C@H](C)C[C@@]3(OC2=O)[C@H](/C=C\[C@H]1O)[C@H]4O ZINC000100307751 ED Annotated Mild in-vitro C=C1C[C@]23C[C@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100360312 ED Annotated Mild in-vivo CNS(=O)(=O)C[C@@H]1CC[C@@H](N(C)c2[nH]cnc3nccc2-3)CC1 ZINC000100374950 ED Annotated Anodyne in-man CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000100375691 ED Annotated Anodyne CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000100375693 ED Annotated Anodyne CC[C@@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000100376962 ED Annotated Anodyne in-man CC[C@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000100376965 ED Annotated Anodyne in-man CC[C@@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000100376969 ED Annotated Anodyne in-man CC[C@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000100376972 ED Annotated Anodyne in-man C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000100385105 ED Annotated Mild C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000100385110 ED Annotated Mild O=C(O)C1=C/C(=C/C=N\CCc2ccc(O)cc2)C[C@@H](C(=O)O)N1 ZINC000100400309 ED Annotated Mild in-vitro CC[C@H]1[C@H]2C[C@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5O)N3[C@@H]1O ZINC000100406525 ED Annotated Anodyne in-vitro biogenic COC1=CC=C/C(=C\NNc2nn3cnnc3c3ccccc23)C1=O ZINC000100430288 ED Annotated Mild COCCN1C(SCC(N)=O)=NN/C1=C1\C=Nc2ccccc21 ZINC000100455215 ED Annotated Anodyne CN1CCc2c(sc3c2C2=N/C(=C4/C=CC=CC4=O)NN2C=N3)C1 ZINC000100457167 ED Annotated Mild COC(=O)c1ccccc1NC(=O)[C@@H]1C/C(=C2/C=CC=CC2=O)NO1 ZINC000100463290 ED Annotated Mild COC(=O)c1ccccc1NC(=O)[C@H]1C/C(=C2/C=CC=CC2=O)NO1 ZINC000100463295 ED Annotated Mild C[C@H]1C(=O)NN=C1C(=O)N/N=C/C(Br)=C/c1ccccc1 ZINC000100466428 ED Annotated Reactive C[C@@H]1C(=O)NN=C1C(=O)N/N=C/C(Br)=C/c1ccccc1 ZINC000100466437 ED Annotated Reactive CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=S)[nH]c1=O ZINC000100473938 ED Annotated Anodyne O=C(O)c1ccc(/C=c2/s/c(=C/C(=O)c3ccco3)[nH]c2=O)cc1 ZINC000100474430 ED Annotated Anodyne O=C(O)c1ccc(/C=c2\s/c(=C/C(=O)c3ccco3)[nH]c2=O)cc1 ZINC000100474441 ED Annotated Anodyne O=C1C=C/C(=C2\NNC(=S)N2c2ccc3c(c2)OCCO3)C(O)=C1 ZINC000100474796 ED Annotated Mild CCSc1nnc(NC(=O)C2=C/C(=C3\C=CC=CC3=O)NN2)s1 ZINC000100475154 ED Annotated Mild COc1cccc(N/N=C2\C(N)=Nn3c2nc2c(c3=O)CCCC2)c1 ZINC000100477355 ED Annotated Mild Cc1cc(C(=O)N/N=C\C2=C/C(=N/Nc3ccccc3)C=CC2=O)n[nH]1 ZINC000100484786 ED Annotated Reactive Cc1cc(C(=O)N/N=C/C2=C/C(=N/Nc3ccccc3)C=CC2=O)n[nH]1 ZINC000100484789 ED Annotated Reactive O=C1Nn2c(nc3c(c2=O)CCC3)/C1=N/Nc1cccc(Cl)c1 ZINC000100486879 ED Annotated Mild OC1(c2ccccc2F)C[C@@H]2CC[C@@H](C1)N2CCN1CCOCC1 ZINC000100487698 ED Annotated Anodyne OC1(c2ccccc2F)C[C@H]2CC[C@H](C1)N2CCN1CCOCC1 ZINC000100487703 ED Annotated Anodyne NC1=Nn2c(nc3c(c2=O)CCCC3)/C1=N/Nc1ccc(Cl)cc1 ZINC000100490846 ED Annotated Mild CCOC(=O)C1=Nc2ccc(F)cc2/C1=N/NN1CCSCC1 ZINC000100491758 ED Annotated Mild CC1=CC(NN/C(C)=C2\C=CC=CC2=O)=N/C(=C2\C=CC=CC2=O)N1 ZINC000100492788 ED Annotated Mild O=[N+]([O-])c1nn(-c2cccc(Cl)c2)n(O)/c1=N/Cc1cccnc1 ZINC000100495036 ED Annotated Bother COc1ccccc1/C=C/C=N\NC(=O)CC[C@H]1C(=O)NN=C1C ZINC000100507356 ED Annotated Reactive COc1ccccc1/C=C/C=N\NC(=O)CC[C@@H]1C(=O)NN=C1C ZINC000100507364 ED Annotated Reactive COC1=C/C(=C/NN2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)C=CC1=O ZINC000100509576 ED Annotated Mild COC1=C/C(=C/NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)C=CC1=O ZINC000100509577 ED Annotated Mild C[C@@H]1CCCN(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2)C1 ZINC000100524091 ED Annotated Mild C[C@H]1CCCN(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2)C1 ZINC000100524095 ED Annotated Mild COc1ccc([C@H](c2c(C)[nH]n(C(N)=S)c2=O)C(C#N)C#N)cc1 ZINC000100529889 ED Annotated Mild COc1ccc([C@@H](c2c(C)[nH]n(C(N)=S)c2=O)C(C#N)C#N)cc1 ZINC000100529893 ED Annotated Mild CC1=NC=C(CO)/C(=C/NNc2ccc(C(F)(F)F)cn2)C1=O ZINC000100535156 ED Annotated Mild CC1=C(C#N)C(=O)NC(=O)/C1=N\Nc1ccc(Cl)c(C(=O)O)c1 ZINC000100543943 ED Annotated Reactive Nc1[nH]n2c(-c3ccccc3)cc(=O)nc2c1NN=C1C=CC(=O)C=C1 ZINC000100547924 ED Annotated Mild C[C@H](C(=O)Nc1nnc(C2CC2)s1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000100556542 ED Annotated Anodyne COc1ccc2c(c1)=C/C(=C1\N=NN(c3ccc(F)cc3)N1)C(=O)N=2 ZINC000100558896 ED Annotated Anodyne COc1ccc2c(c1)=C/C(=C1\N=NN(c3ccc(C)cc3)N1)C(=O)N=2 ZINC000100558903 ED Annotated Anodyne CC1=CC(NN/C=C2\C=CC(=O)C=C2O)=N/C(=C2/C=CC=CC2=O)N1 ZINC000100562381 ED Annotated Mild O=C(CN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)NCc1ccccc1 ZINC000100565017 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)NCc1ccccc1 ZINC000100565019 ED Annotated Anodyne O=C(CN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)NCc1ccccc1 ZINC000100565021 ED Annotated Anodyne CC1(C)[C@]2(C)CC[C@]1(C(=O)NN/C=C1\C=CC(=O)C=C1O)OC2=O ZINC000100566825 ED Annotated Reactive CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NN/C=C1\C=CC(=O)C=C1O)OC2=O ZINC000100566834 ED Annotated Reactive O=C1Nn2c(nc3c(c2=O)CCCC3)/C1=N\Nc1cccc(Cl)c1 ZINC000100570777 ED Annotated Mild C[N+]1(C)C[C@@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@@]([N+](=O)[O-])(C2)C1 ZINC000100570930 ED Annotated Bother C[N+]1(C)C[C@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@]([N+](=O)[O-])(C2)C1 ZINC000100570933 ED Annotated Bother C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100583889 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100583892 ED Annotated Mild in-man C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(CNC(=O)c3ccco3)nn1)C2 ZINC000100597409 ED Annotated Bother O=C1N=c2cc3ccccc3cc2=N/C1=C1\N=NNN1C1CCCC1 ZINC000100608764 ED Annotated Anodyne CC1=NN=C(C(=O)N/N=C\c2ccccc2Cl)/C1=N\NN(C)C ZINC000100613405 ED Annotated Reactive CC1=NN=C(C(=O)N/N=C/c2ccccc2Cl)/C1=N\NN(C)C ZINC000100613412 ED Annotated Reactive O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000100615878 ED Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000100615885 ED Annotated Mild COC(=O)[C@](O)(c1c(C)nn(-c2ccccc2)c1O)C(F)(F)F ZINC000100637537 ED Annotated Anodyne COC(=O)[C@@](O)(c1c(C)nn(-c2ccccc2)c1O)C(F)(F)F ZINC000100637541 ED Annotated Anodyne C[C@@H]1N=C2Nc3ccc(F)cc3NC(N3CCN(C)CC3)=C2N1C ZINC000100668439 ED Annotated Anodyne C[C@H]1N=C2Nc3ccc(F)cc3NC(N3CCN(C)CC3)=C2N1C ZINC000100668442 ED Annotated Anodyne Cc1nc2nc(NCc3ccc(Cl)cc3)nn2c(O)c1CCO ZINC000100695270 ED Annotated Anodyne Cc1nc2nc(NCc3cc(F)cc(F)c3)nn2c(O)c1CCO ZINC000100695459 ED Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccncc1)C1=C(O)CCCC1=N2 ZINC000100703178 ED Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccncc1)C1=C(O)CCCC1=N2 ZINC000100703179 ED Annotated Anodyne CCOC(=O)CN1C(=O)c2[nH]cc3nc4ccccc4c-3c2[C@H]1O ZINC000100728976 ED Annotated Anodyne CCOC(=O)CN1C(=O)c2[nH]cc3nc4ccccc4c-3c2[C@@H]1O ZINC000100728980 ED Annotated Anodyne Cc1nc2n(c(=O)c1C(N)=O)[C@@H](C)CC/C2=N/Nc1ccccc1 ZINC000100761198 ED Annotated Mild Cc1nc2n(c(=O)c1C(N)=O)[C@H](C)CC/C2=N/Nc1ccccc1 ZINC000100761200 ED Annotated Mild C[C@@H]1CC/C(=N\Nc2ccccc2)c2ncc(C(=O)NO)c(=O)n21 ZINC000100761522 ED Annotated Mild C[C@H]1CC/C(=N/Nc2ccccc2)c2ncc(C(=O)NO)c(=O)n21 ZINC000100761526 ED Annotated Mild CC1(C)C=C(C(=O)NCCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C(C)(C)N1 ZINC000100762541 ED Annotated Anodyne CC1(C)C=C(C(=O)NCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(C)(C)N1 ZINC000100762543 ED Annotated Anodyne O=C(O)C1=CNC2=C(/C=N/c3ccccc3C(=O)O)CCCN2C1=O ZINC000100770607 ED Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@H]2[C@H](O)[C@@H](OC(=O)/C(C)=C/C)[C@H](C1)N2C ZINC000100771516 ED Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C[C@H]2[C@H](O)[C@H](OC(=O)/C(C)=C/C)[C@H](C1)N2C ZINC000100771517 ED Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@H](OC(=O)/C(C)=C/C)[C@H](O)[C@H](C1)N2C ZINC000100771519 ED Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C[C@H]2[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@H](C1)N2C ZINC000100771521 ED Annotated Anodyne in-man endogenous C=C1[C@H]2CC[C@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@]2(C)C[C@@H](O)C[C@@]14OC2=O ZINC000100774679 ED Annotated Mild in-man endogenous C=C1[C@H]2CC[C@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@@]2(C)C[C@@H](O)C[C@@]14OC2=O ZINC000100774682 ED Annotated Mild in-man endogenous C=C1[C@H]2CC[C@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@]2(C)C[C@H](O)C[C@@]14OC2=O ZINC000100774684 ED Annotated Mild in-man endogenous C=C1[C@H]2CC[C@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@@]2(C)C[C@H](O)C[C@@]14OC2=O ZINC000100774687 ED Annotated Mild in-man endogenous C=C1[C@H]2C[C@@H](O)[C@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@]2(C)CCC[C@@]14OC2=O ZINC000100774720 ED Annotated Mild in-man endogenous C=C1[C@H]2C[C@@H](O)[C@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@@]2(C)CCC[C@@]14OC2=O ZINC000100774722 ED Annotated Mild in-man endogenous C=C1[C@H]2C[C@@H](O)[C@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@]2(C)CCC[C@]14OC2=O ZINC000100774725 ED Annotated Mild in-man endogenous C=C1[C@H]2C[C@@H](O)[C@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@H]1[C@@]42CCC[C@@]1(C)C(=O)O2 ZINC000100774727 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100775007 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H]4O[C@@H]4[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100775009 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@@]12OC(=O)[C@](C)([C@@H]1[C@H]3C(=O)O)[C@H]1O[C@@H]1[C@H]2O ZINC000100775012 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@H]3C(=O)O)[C@H]1O[C@@H]1[C@H]2O ZINC000100775014 ED Annotated Mild in-man endogenous C[C@@H]1CCC(/C=N/c2ccccc2O)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100775087 ED Annotated Mild C[C@H]1CCC(/C=N/c2ccccc2O)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100775090 ED Annotated Mild O=C(O)C1=C[C@H](C2CC2)c2nc(N3CC/C(=N\O)C3)c(F)cc2C1=O ZINC000100777651 ED Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@@](C)(CC[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000100778253 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@@](C)(C=C[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100778254 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)(C=C[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100778257 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100778258 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)(C=C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100778260 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778347 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778349 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778351 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778353 ED Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@H]1CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778354 ED Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@H]1CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778355 ED Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@H]1CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778356 ED Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@H]1CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778357 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100778379 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100778381 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000100778383 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000100778384 ED Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778386 ED Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778388 ED Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@]12CCC[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778389 ED Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778391 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CC=C[C@](CO)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781406 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781408 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12CC=C[C@](CO)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781410 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12CC=C[C@@](CO)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781414 ED Annotated Mild in-man endogenous Cc1c(-c2nn[nH]n2)oc2c(c1=O)CS(=O)(=O)c1ccccc1-2 ZINC000100781568 ED Annotated Anodyne C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@@]12CCC[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781708 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781713 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@]12CCC[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781715 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781717 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@@]12C=CC[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100782269 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100782272 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100782275 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100782278 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@@](C)(C[C@@H](O)[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783247 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)(C[C@@H](O)[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783248 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@@](C)(C[C@H](O)[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783250 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)(C[C@H](O)[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783252 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@@](C)(C=C[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783790 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(C=C[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783794 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783796 ED Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(C=C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783797 ED Annotated Mild in-man endogenous CN/C(=C\[N+](=O)[O-])Nc1ccc(-c2csc(N=C(N)N)n2)cc1 ZINC000100784313 ED Annotated Mild CN/C(=C/[N+](=O)[O-])Nc1cccc(-c2csc(N=C(N)N)n2)c1 ZINC000100786846 ED Annotated Mild O=C1C[C@@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)c1ccccc1 ZINC000100794131 ED Annotated Mild CN1C(=O)C2=C(N[C@H](CC3CCCC3)N2)N2CC3(CCCC3)N=C12 ZINC000100795200 ED Annotated Anodyne CN1C(=O)C2=C(N[C@@H](CC3CCCC3)N2)N2CC3(CCCC3)N=C12 ZINC000100795203 ED Annotated Anodyne CCCCS(=O)(=O)ON1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000100797178 ED Annotated Mild Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)on1 ZINC000100800437 ED Annotated Anodyne C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100826197 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100826198 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100826199 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100826200 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100826242 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12C[C@@H](O)C[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100826244 ED Annotated Mild in-man CN1[C@H]2CNC[C@H]1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2 ZINC000100829143 ED Annotated Anodyne CN1[C@@H]2CNC[C@@H]1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2 ZINC000100829145 ED Annotated Anodyne Fc1ccc(C#CCOc2nsnc2C23CN4C[C@H]2[C@@H]3C4)cc1 ZINC000100829304 ED Annotated Mild Fc1ccc(C#CCOc2nsnc2C23CN4C[C@@H]2[C@H]3C4)cc1 ZINC000100829307 ED Annotated Mild Fc1cccc(C#CCOc2nsnc2C23CN4C[C@H]2[C@@H]3C4)c1 ZINC000100829411 ED Annotated Mild Fc1cccc(C#CCOc2nsnc2C23CN4C[C@@H]2[C@H]3C4)c1 ZINC000100829413 ED Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100829561 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100829562 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100829563 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100829565 ED Annotated Mild in-man CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 ZINC000100846475 ED Annotated Anodyne CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 ZINC000100846478 ED Annotated Anodyne CNC(=O)OCc1cc2c(c3c1[C@H]1N[C@@H]1C3)C(=O)c1ccccc1C2=O ZINC000100846612 ED Annotated Clean CNC(=O)OCc1cc2c(c3c1[C@@H]1N[C@H]1C3)C(=O)c1ccccc1C2=O ZINC000100846614 ED Annotated Clean O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OC1CCCCC1 ZINC000100848586 ED Annotated Anodyne O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)OC1CCCCC1 ZINC000100848590 ED Annotated Anodyne CC1=C(O)c2cccc(O)c2C(=O)/C1=N\CCCN1CCN(C)CC1 ZINC000100872255 ED Annotated Mild OCCOCN1CNc2c1nc1nc(-c3ccccc3)cn1c2O ZINC000100875317 ED Annotated Anodyne CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000100885820 ED Annotated Anodyne CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000100885826 ED Annotated Anodyne CC(C)COC(=O)[C@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C[C@@]23C=C[C@H]1O3 ZINC000100885846 ED Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000100885909 ED Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)NC1CCN(CCOCCO2)CC1 ZINC000100887950 ED Annotated Anodyne COCC/N=C1/C=C(O)c2c(c(COC(N)=O)c3n2C[C@H]2C[C@H]32)C1=O ZINC000100894674 ED Annotated Mild COCC/N=C1/C=C(O)c2c(c(COC(N)=O)c3n2C[C@@H]2C[C@H]32)C1=O ZINC000100894677 ED Annotated Mild COCC/N=C1/C=C(O)c2c(c(COC(N)=O)c3n2C[C@H]2C[C@@H]32)C1=O ZINC000100894680 ED Annotated Mild COCC/N=C1/C=C(O)c2c(c(COC(N)=O)c3n2C[C@@H]2C[C@@H]32)C1=O ZINC000100894683 ED Annotated Mild C[C@H](CS(C)(=O)=O)O[P@@](N)(=O)N(CCCl)CCCl ZINC000100897052 ED Annotated Reactive CC(=O)c1c(O)c(C)c(O)c2c1O[C@H]1C=C(O)[C@@H](C(C)=O)C(=O)[C@]21C ZINC000100897367 ED Annotated Anodyne in-vitro CC(=O)c1c(O)c(C)c(O)c2c1O[C@H]1C=C(O)[C@@H](C(C)=O)C(=O)[C@@]21C ZINC000100897368 ED Annotated Anodyne in-vitro CC(=O)c1c(O)c(C)c(O)c2c1O[C@@H]1C=C(O)[C@@H](C(C)=O)C(=O)[C@]21C ZINC000100897369 ED Annotated Anodyne in-vitro CC(=O)c1c(O)c(C)c(O)c2c1O[C@@H]1C=C(O)[C@@H](C(C)=O)C(=O)[C@@]21C ZINC000100897371 ED Annotated Anodyne in-vitro CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O ZINC000100898504 ED Annotated Anodyne in-vitro N=C(N)NCCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@](O)(CC(=O)O)CC2)CC1 ZINC000100899132 ED Annotated Anodyne CC[C@H]1[C@H](O)N2[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@H]5O ZINC000100899369 ED Annotated Anodyne in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@@H]4O[C@@H]4[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100900123 ED Annotated Mild in-vitro NC(=O)OCc1c2c(n3c1[C@H]1C[C@@H]1C3)C(=O)C=C(N1CCCC1)C2=O ZINC000100900180 ED Annotated Mild NC(=O)OCc1c2c(n3c1[C@@H]1C[C@H]1C3)C(=O)C=C(N1CCCC1)C2=O ZINC000100900184 ED Annotated Mild COC(=O)N/N=C/c1ccc2c(c1)[n+]([O-])c1cc(C)c(C)cc1[n+]2[O-] ZINC000100901547 ED Annotated Reactive O=c1[nH]c2c(Br)c(Cl)c(Cl)cc2n(O)c1=O ZINC000100917690 ED Annotated Anodyne CCN(CC)CCNc1c(C#N)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] ZINC000100918414 ED Annotated Mild CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@@H]1Cn1cc(C)cn1 ZINC000100931454 ED Annotated Anodyne CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1Cn1cc(C)cn1 ZINC000100931455 ED Annotated Anodyne Cc1cc(NC(=O)c2nn[nH]n2)c(O)c(C(=O)Cc2ccccc2)c1 ZINC000100938297 ED Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1/C(=N/O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000100949107 ED Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1/C(=N/O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000100949112 ED Annotated Mild O=C1CN2[C@@H]3CC(OC(=O)[C@H]4CNc5ccccc54)C[C@@H]2CC1C3 ZINC000100961565 ED Annotated Anodyne O=C1CN2[C@@H]3CC(OC(=O)[C@@H]4CNc5ccccc54)C[C@@H]2CC1C3 ZINC000100961571 ED Annotated Anodyne O=C(O)c1cn(C2CC2)c2nc(N3C[C@H]4C[C@H]3CN4)c(F)cc2c1=O ZINC000100962183 ED Annotated Anodyne O=C1C(OCc2ccc(Br)cc2)=C(O)O[C@@H]1[C@H](O)CO ZINC000100974134 ED Annotated Mild O=C1C(OCc2ccc(Br)cc2)=C(O)O[C@H]1[C@H](O)CO ZINC000100974140 ED Annotated Mild O=C1C(OCc2ccc(Br)cc2)=C(O)O[C@@H]1[C@@H](O)CO ZINC000100974144 ED Annotated Mild O=C1C(OCc2ccc(Br)cc2)=C(O)O[C@H]1[C@@H](O)CO ZINC000100974148 ED Annotated Mild CCCn1[nH]cc/c1=N\C(=O)CN1CCc2c(nc(C3CC3)n2C)C1 ZINC000100974616 ED Annotated Anodyne CCCn1[nH]cc/c1=N\C(=O)CN1CCc2cnc(CC)nc2C1 ZINC000100976432 ED Annotated Anodyne CCCn1[nH]cc/c1=N\C(=O)CN1CCc2cnc(C(C)C)nc2C1 ZINC000100976986 ED Annotated Anodyne COc1ccc2c(c1)[C@H](C(C#N)C#N)[C@H]1C(N)=C(C#N)C(N)=C[C@@H]1O2 ZINC000101006624 ED Annotated Reactive COc1ccc2c(c1)[C@@H](C(C#N)C#N)[C@H]1C(N)=C(C#N)C(N)=C[C@@H]1O2 ZINC000101006627 ED Annotated Reactive COc1ccc2c(c1)[C@H](C(C#N)C#N)[C@@H]1C(N)=C(C#N)C(N)=C[C@@H]1O2 ZINC000101006630 ED Annotated Reactive COc1ccc2c(c1)[C@@H](C(C#N)C#N)[C@@H]1C(N)=C(C#N)C(N)=C[C@@H]1O2 ZINC000101006633 ED Annotated Reactive CC[C@@H](O)c1c(C/C=C/CO)cc2c(c1OC)C(=O)C=C(NC)C2=O ZINC000101007721 ED Annotated Mild COc1ccc2c(c1)O[C@@H]1C=C(N)C(C#N)=C(N)[C@@H]1[C@@H]2C(C#N)C#N ZINC000101008310 ED Annotated Reactive COc1ccc2c(c1)O[C@H]1C=C(N)C(C#N)=C(N)[C@@H]1[C@@H]2C(C#N)C#N ZINC000101008312 ED Annotated Reactive COc1ccc2c(c1)O[C@@H]1C=C(N)C(C#N)=C(N)[C@H]1[C@@H]2C(C#N)C#N ZINC000101008313 ED Annotated Reactive COc1ccc2c(c1)O[C@H]1C=C(N)C(C#N)=C(N)[C@H]1[C@@H]2C(C#N)C#N ZINC000101008314 ED Annotated Reactive CCc1c2s[nH]c(=O)c2c(=O)n2ccc(N3CCNCC3)cc12 ZINC000101034860 ED Annotated Anodyne N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000101045655 ED Annotated Mild N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000101045660 ED Annotated Mild CC(C)N(C)c1nc2c(N[C@@H]3C[C@@H]4C[C@@H]3C[C@@H]4O)ncnc2n1C ZINC000101046866 ED Annotated Anodyne CC(C)N(C)c1nc2c(N[C@H]3C[C@@H]4C[C@@H]3C[C@@H]4O)ncnc2n1C ZINC000101046870 ED Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c1c(=O)nc(-c3ccccc3)nc-1n2C ZINC000101080995 ED Annotated Bother COc1ccc2c(c1)n(C)c1nc(-c3ccccc3)nc(=O)c-1[n+]2[O-] ZINC000101080998 ED Annotated Bother C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@](O)([C@@H](O)[C@@H]4C(C)(C)C=CC5=O)[C@]3(C2)[C@@H]1O ZINC000101085354 ED Annotated Mild C=CCN1C(=O)CS/C1=N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000101085484 ED Annotated Mild C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CCC2=O ZINC000101086136 ED Annotated Anodyne O=C1N/C(=C/c2cnc[nH]2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12 ZINC000101086606 ED Annotated Anodyne Cc1ccc2c(c1)[n+]([O-])c(NCCN1[C@@H](C)CCC[C@H]1C)n[n+]2[O-] ZINC000101099763 ED Annotated Anodyne Cc1ccc2c(c1)[n+]([O-])c(NCCN1[C@@H](C)CCC[C@@H]1C)n[n+]2[O-] ZINC000101099766 ED Annotated Anodyne Cc1ccc2c(c1)[n+]([O-])c(NCCN1[C@H](C)CCC[C@H]1C)n[n+]2[O-] ZINC000101099768 ED Annotated Anodyne CCCN(CCC)CCNc1n[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000101101224 ED Annotated Anodyne CC(C)(C)c1ccc2c(c1)[n+]([O-])c(NCCN1CCCCC1)n[n+]2[O-] ZINC000101101778 ED Annotated Anodyne CC(C)c1ccc2c(c1)[n+]([O-])c(NCCN1CCCCC1)n[n+]2[O-] ZINC000101102239 ED Annotated Anodyne C[C@@H]1CC[C@@H](NC(=O)c2cnc(N3CCC(CO)CC3)cn2)CC1 ZINC000101102259 ED Annotated Anodyne CCN(CC)CCNc1n[n+]([O-])c2ccc(C(C)(C)C)cc2[n+]1[O-] ZINC000101106457 ED Annotated Anodyne O=C(CN1CC[C@H](C(F)(F)F)C1)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000101111697 ED Annotated Anodyne O=C(CN1CC[C@H](C(F)(F)F)C1)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 ZINC000101111704 ED Annotated Anodyne CC1(C)C=C(C(=O)NCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)C(C)(C)N1 ZINC000101117050 ED Annotated Anodyne CC1(C)C=C(C(=O)NCCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C(C)(C)N1 ZINC000101117051 ED Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101123731 ED Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101123734 ED Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101123739 ED Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101123745 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@H]2O ZINC000101128485 ED Annotated Mild C[C@@H]1CC(=O)C2=C(C1)[C@@H]1O[C@H]1[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000101140574 ED Annotated Mild O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1ccccn1 ZINC000101163420 ED Annotated Anodyne C=CC[C@@]12C=C(O)C(=O)[C@](O)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000101164977 ED Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2C[C@@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000101191797 ED Annotated Mild in-man C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000101197621 ED Annotated Anodyne C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000101197627 ED Annotated Anodyne CNc1c(NCCNCc2ccc(CN3CCCCC3)o2)c(=O)c1=O ZINC000101201729 ED Annotated Anodyne CC(=O)Cc1noc(C2=C(O)c3ccccc3S(=O)(=O)N2C)n1 ZINC000101226898 ED Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000101242210 ED Annotated Anodyne CCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000101242213 ED Annotated Anodyne O=c1[nH]c2c(Br)cc(C(F)(F)F)cc2n(O)c1=O ZINC000101263286 ED Annotated Anodyne O=c1[nH]c2c(Br)cc(Br)cc2n(O)c1=O ZINC000101263299 ED Annotated Anodyne CC(C)[C@@H]1OC[C@@H]2[C@H](CO1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101269591 ED Annotated Bother COCCCCOc1ccc(CC2C(=O)NC(=S)NC2=O)cc1 ZINC000101282150 ED Annotated Anodyne CC(C)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@H]3C1=O ZINC000101283747 ED Annotated Anodyne CC(C)N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)OCc2ccccc2)[C@H]3C1=O ZINC000101283749 ED Annotated Anodyne COC1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@H]2[C@H]3C2(C)C)C1=O ZINC000101296603 ED Annotated Mild COC1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2[C@@H]3C2(C)C)C1=O ZINC000101296612 ED Annotated Mild CN(C)CCNc1ccc2nnn3c4ccc(F)cc4c(=O)c1c23 ZINC000101321745 ED Annotated Bother CO[C@@]12C[C@@H]3C(=O)[C@@](C)(C1)O[C@@H](O2)[C@H]3COC(=O)c1ccccc1 ZINC000101324607 ED Annotated Anodyne CO[C@@]12C[C@@H]3C(=O)[C@@](C)(C1)O[C@H](O2)[C@H]3COC(=O)c1ccccc1 ZINC000101324611 ED Annotated Anodyne COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC[C@@H]3CCCO3)c2C)C[C@H]1C ZINC000101334169 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3O[C@H]4C=C[C@H]3CC4)cc2)C(=O)O1 ZINC000101371325 ED Annotated Anodyne COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1 ZINC000101397298 ED Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)C(=O)[C@@H]1C(C)(C)C=CC2=O ZINC000101402507 ED Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\COC(=O)C(C)C)CC/C=C(\CO)C(=O)C[C@@H]12 ZINC000101413811 ED Annotated Mild biogenic in-vivo COc1ccc2c(c1)[n+]([O-])c(NCCN1[C@@H](C)CCC[C@H]1C)n[n+]2[O-] ZINC000101431680 ED Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(NCCN1[C@@H](C)CCC[C@@H]1C)n[n+]2[O-] ZINC000101431683 ED Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(NCCN1[C@H](C)CCC[C@H]1C)n[n+]2[O-] ZINC000101431688 ED Annotated Anodyne CN(C)/N=N\c1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)O)cc1 ZINC000101443932 ED Annotated Clean C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@H]2O[C@H]1O[C@@]3(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]142 ZINC000101455874 ED Annotated Mild O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)cn1 ZINC000101463992 ED Annotated Anodyne O=C1NC(=S)N/C1=C/c1csc(-c2ccc3c(c2)COC3=O)n1 ZINC000101464001 ED Annotated Anodyne C[C@@H]1CCC(/C=N/c2ccc(O)cc2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000101475523 ED Annotated Mild C[C@H]1CCC(/C=N/c2ccc(O)cc2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000101475525 ED Annotated Mild C[C@@H]1CN1C1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@H]2C[C@H]32)C1=O ZINC000101481488 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H](CC1=O)C(C)(C)[C@H]2[C@H](O)C3=O ZINC000101491358 ED Annotated Mild Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O ZINC000101500484 ED Annotated Anodyne CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)C1CCCC1 ZINC000101505674 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4COC[C@@H]43)c(F)c2)C(=O)O1 ZINC000101506612 ED Annotated Anodyne Cc1ccc(CNC(=O)c2c(C)[n+]([O-])c3ccc(C)cc3[n+]2[O-])cc1 ZINC000101508624 ED Annotated Anodyne O=C(O)c1cn(C2CC2)c2nc(N3C[C@@H]4C[C@@H]3CN4)c(F)cc2c1=O ZINC000101509370 ED Annotated Anodyne O=C(CN1[C@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)NC1CC1 ZINC000101509903 ED Annotated Anodyne O=C(CN1[C@@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2)NC1CC1 ZINC000101509908 ED Annotated Anodyne C=C(C)[C@@H]1CC(=O)[C@@H]2[C@@H]3O[C@]4(C)C[C@H]5OC(=O)[C@@H]([C@H]2C1)[C@H]5[C@H]4C3=O ZINC000101546826 ED Annotated Mild CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccncc1 ZINC000101556393 ED Annotated Anodyne CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccncc1 ZINC000101556400 ED Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)/C=C/[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000101559489 ED Annotated Mild COC1=C2c3ccc(OC)c(=O)cc3[C@H]3C[C@@]4(C)N3[C@]24C=C(O)C1=O ZINC000101568567 ED Annotated Mild C=C(C)[C@@H]1CC(=O)[C@H]2[C@H](C1)[C@@H]1C(=O)O[C@H]3[C@@H]1CC(=O)[C@H]2[C@H]3C(C)=O ZINC000101574777 ED Annotated Mild C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C[C@@]3(C)CC(=O)[C@@H](CC(=O)C1)O3)[C@H]2O ZINC000101576062 ED Annotated Mild O=C1C=C[C@]23C[C@@H](NC4=C2C2=NCCc5c[nH]c(c52)C4=O)SC3=C1 ZINC000101578473 ED Annotated Mild O=C1C=C[C@@]23C[C@H](NC4=C2C2=NCCc5c[nH]c(c52)C4=O)SC3=C1 ZINC000101578481 ED Annotated Mild Cn1c(Cc2ccccc2)nn([C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)c1=S ZINC000101632239 ED Annotated Anodyne Cn1c(Cc2ccccc2)nn([C@H]2CC(=O)[C@@H]3OC[C@@H]2O3)c1=S ZINC000101632241 ED Annotated Anodyne CCCCOC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC000101634528 ED Annotated Clean COC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(OC)c(OC)c3c21 ZINC000101634534 ED Annotated Anodyne O=CC1=C/C(=C/NCCC[C@@H]2CNCCO2)C(=O)c2ncccc21 ZINC000101647656 ED Annotated Reactive O=CC1=C/C(=C/NCCC[C@H]2CNCCO2)C(=O)c2ncccc21 ZINC000101647660 ED Annotated Reactive O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/[C@@H]3CS(=O)(=O)C[C@@H]3O)c2c1 ZINC000101650092 ED Annotated Clean O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/[C@H]3CS(=O)(=O)C[C@@H]3O)c2c1 ZINC000101650096 ED Annotated Clean O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/[C@H]3CS(=O)(=O)C[C@H]3O)c2c1 ZINC000101650103 ED Annotated Clean C=C(C)[C@H]1CC[C@]23O[C@H]2[C@@H](C[C@@]2(C)CC(=O)[C@H](CC(=O)C1)O2)OC3=O ZINC000101669814 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O ZINC000101687565 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O ZINC000101694943 ED Annotated Mild COC(=O)[C@@]12COC[C@H](c3c1[nH]c1ccccc31)[C@]1(O)CNCC[C@@H]12 ZINC000101695994 ED Annotated Anodyne C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C[C@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@H]2O ZINC000101707185 ED Annotated Mild C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@@]2(O)OC[C@]41[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000101707368 ED Annotated Mild in-vitro biogenic CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O ZINC000101715926 ED Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccnc1 ZINC000101725549 ED Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccnc1 ZINC000101725554 ED Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC ZINC000101726933 ED Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(OC)ccc1OC ZINC000101726937 ED Annotated Anodyne CC(C)N(C)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 ZINC000101741966 ED Annotated Anodyne CC(C)N(C)C(=O)n1cnc(S(=O)(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)n1 ZINC000101741969 ED Annotated Anodyne CCOC(=O)c1c[nH]nc1N/C=C1\C(=O)NN=C1c1ccccc1 ZINC000101743133 ED Annotated Clean O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1nc(CCc2ccccc2)n[nH]1 ZINC000101759717 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1nc(CCc2ccccc2)n[nH]1 ZINC000101759718 ED Annotated Anodyne COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCN(C)CC1)=N2 ZINC000101768866 ED Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCN(C)CC1)=N2 ZINC000101768871 ED Annotated Anodyne COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC(O)CC1)=N2 ZINC000101771874 ED Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC(O)CC1)=N2 ZINC000101771878 ED Annotated Anodyne CCN1CCN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)CC1 ZINC000101787030 ED Annotated Anodyne Cc1ccc2nc3c(O)n(CC(=O)N4CCN(C)CC4)ncc-3c2c1 ZINC000101799627 ED Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C4OCCO4)C=C[C@]3(C)O2)cc1 ZINC000101800375 ED Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C4OCCO4)C=C[C@]3(C)O2)cc1 ZINC000101800377 ED Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(C3OCCO3)O2)cc1 ZINC000101800379 ED Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C4OCCO4)C=C[C@]3(C)O2)cc1 ZINC000101800381 ED Annotated Anodyne Cc1nc2ncnn2c(O)c1CCOC(=O)c1c(F)cccc1F ZINC000101815283 ED Annotated Anodyne C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101841906 ED Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2COC[C@H]1c1cn[nH]c1C2 ZINC000101860692 ED Annotated Anodyne O=c1c2ncn(COCCO)c2nc2[nH]c(-c3cccs3)cn12 ZINC000101863125 ED Annotated Anodyne CC[C@@H](C)Nc1nc(SC(C(C)=O)C(C)=O)nc(N(C)C)n1 ZINC000101864513 ED Annotated Anodyne CC[C@H](C)Nc1nc(SC(C(C)=O)C(C)=O)nc(N(C)C)n1 ZINC000101864518 ED Annotated Anodyne CC1(C)CC(=O)C=C(NCC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000101868124 ED Annotated Reactive O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CNC[C@H]1c1cn[nH]c1C2 ZINC000101870390 ED Annotated Anodyne O=C(COC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)NC(=O)NCc1ccco1 ZINC000101909854 ED Annotated Anodyne O=C(COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)NC(=O)NCc1ccco1 ZINC000101909859 ED Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000101926984 ED Annotated Anodyne CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000101926989 ED Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000101926997 ED Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000101927003 ED Annotated Anodyne COC(=O)NCCc1n[nH]c2c1C(=O)C=C(Nc1ccccc1)C2=O ZINC000101930723 ED Annotated Mild C=CCN1C(=O)/C(=N\NC(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000101954306 ED Annotated Reactive C=CCN1C(=O)/C(=N\NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000101954310 ED Annotated Reactive C#CCN1C(=O)/C(=N\NC(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000101954354 ED Annotated Reactive C#CCN1C(=O)/C(=N\NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000101954360 ED Annotated Reactive C[C@@]1(C(=O)O)[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NNC(=O)Cc1ccccc1 ZINC000101955233 ED Annotated Reactive CCCN(CCC)CCNc1n[n+]([O-])c2c3c(ccc2[n+]1[O-])CCC3 ZINC000101968124 ED Annotated Anodyne CN1CCN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)CC1 ZINC000101969445 ED Annotated Anodyne CC1(C)C[C@H](/N=C(/O)NP(=O)(N2CC2)N2CC2)C(C)(C)N1[O] ZINC000101969726 ED Annotated Reactive CC1(C)C[C@@H](/N=C(/O)NP(=O)(N2CC2)N2CC2)C(C)(C)N1[O] ZINC000101969733 ED Annotated Reactive N#Cc1c(NC(=O)c2cccs2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000101975624 ED Annotated Mild C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C[C@@]3(C)CC(=O)[C@@H](CC(=O)C1)O3)[C@H]2O ZINC000102019937 ED Annotated Mild Cc1c(C(=O)NCCc2ccccc2)[n+]([O-])c2cc(F)ccc2[n+]1[O-] ZINC000102021992 ED Annotated Anodyne C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C/C(C)=C\C(=O)[C@@H](O)CC(=O)C1)[C@H]2O ZINC000102037588 ED Annotated Mild Cc1c(C(=O)NCc2ccccc2)[n+]([O-])c2cc(F)ccc2[n+]1[O-] ZINC000102054641 ED Annotated Anodyne Cc1ccc2c(c1)[n+]([O-])c(C(=O)NCCc1ccccc1)c(C)[n+]2[O-] ZINC000102056119 ED Annotated Anodyne O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1C[C@@]34C[C@@H](N2)SC4=CC1=O ZINC000102062193 ED Annotated Mild Cc1c(C(=O)NCc2ccccc2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000102062678 ED Annotated Anodyne C=C1C(=O)[C@@]23C[C@@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)C=CC2=O ZINC000102070772 ED Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)C=CC2=O ZINC000102070779 ED Annotated Mild Cc1nn(-c2ccccc2)c(O)c1[C@@]1(C(F)(F)F)NCCNC1=O ZINC000102082258 ED Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1[C@]1(C(F)(F)F)NCCNC1=O ZINC000102082262 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC[C@@]5([C@@H](O)O4)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O ZINC000102085698 ED Annotated Mild COc1ccc(Nc2ncnc3c(=N)n(NC(C)=O)cnc23)cc1 ZINC000102091963 ED Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102126258 ED Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102126261 ED Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102126263 ED Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102126265 ED Annotated Anodyne CCOC(=O)[C@@H](C)SC1=C(NCCO)C(=O)c2ccccc2C1=O ZINC000102163432 ED Annotated Mild CCOC(=O)[C@H](C)SC1=C(NCCO)C(=O)c2ccccc2C1=O ZINC000102163434 ED Annotated Mild CN(C)C[C@H]1[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)C[C@H]12 ZINC000102179718 ED Annotated Anodyne CCCN(CCC)CCNc1n[n+]([O-])c2cc3c(cc2[n+]1[O-])CCC3 ZINC000102180787 ED Annotated Anodyne O=C(NNC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)c1ccccc1O ZINC000102181481 ED Annotated Reactive COc1ccc2c(c1)[n+]([O-])c1c(=O)nc(N3CCCCC3)nc-1n2C ZINC000102182389 ED Annotated Bother CNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(Cl)cc1)CC2 ZINC000102200573 ED Annotated Anodyne CCOC(=O)CNC1=C(Br)C(=O)c2ccccc2C1=O ZINC000102208782 ED Annotated Mild COC(=O)[C@H](O)[C@H]1OC(=O)C(c2ccc(Br)cc2)=C1O ZINC000102248256 ED Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000102307253 ED Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000102307259 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CNC[C@@H]43)c(F)c2)C(=O)O1 ZINC000102314237 ED Annotated Anodyne CS(=O)(=O)/C(=C/c1cccn1S(=O)(=O)c1ccccc1)CN ZINC000102318890 ED Annotated Anodyne CC(C)[C@H]1OC(=O)C=C2[C@@]3(C)CC[C@H](O)[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]215)[C@H]34 ZINC000102323846 ED Annotated Anodyne in-vitro biogenic CCCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCCOC)C(=O)[C@H]13)O2 ZINC000102332665 ED Annotated Anodyne CCCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCCOC)C(=O)[C@H]13)O2 ZINC000102332669 ED Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccs1 ZINC000102342078 ED Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccs1 ZINC000102342081 ED Annotated Anodyne CC(C)[C@@]12O[C@@H]1C=C1[C@@]3(C)CCC4=C(COC4=O)[C@H]3C[C@H]3O[C@]13[C@@H]2O ZINC000102408833 ED Annotated Anodyne CC(=O)N(C)c1ccc(/N=N\[C@H]2C(=O)N(C(N)=S)N=C2C)cc1 ZINC000102432818 ED Annotated Clean CC(=O)N(C)c1ccc(/N=N\[C@@H]2C(=O)N(C(N)=S)N=C2C)cc1 ZINC000102432822 ED Annotated Clean Cc1c(C#N)c(O)nc(O)c1/N=N\c1ccc(S(N)(=O)=O)cc1 ZINC000102473411 ED Annotated Mild CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@H]2[C@@H]5O)N3[C@@H]1O ZINC000102595359 ED Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12C=C[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000102650801 ED Annotated Mild CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NCC(=O)OC ZINC000102662802 ED Annotated Clean CC[C@H]1[C@H](O)N2[C@H]3C[C@@H]1[C@@H]1[C@@H]2C[C@@]2(c4ccccc4N(C)[C@H]32)[C@H]1O ZINC000102697685 ED Annotated Anodyne COC(=O)C(C(=O)OC)[C@@H]1O[C@@]23COCC[C@@]2(C)[C@H]3c2ccccc21 ZINC000102728644 ED Annotated Anodyne COC(=O)C(C(=O)OC)[C@@H]1O[C@@]23COCC[C@@]2(C)[C@@H]3c2ccccc21 ZINC000102728647 ED Annotated Anodyne COC(=O)C(C(=O)OC)[C@@H]1O[C@@]23COCC[C@]2(C)[C@@H]3c2ccccc21 ZINC000102728651 ED Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/NC(N)=O)=C1O ZINC000102737410 ED Annotated Reactive COC(=O)C(C(=O)OC)[C@@H]1O[C@]23COCC[C@@]2(C)[C@H]3c2ccccc21 ZINC000102803718 ED Annotated Anodyne COC(=O)C(C(=O)OC)[C@@H]1O[C@]23COCC[C@]2(C)[C@H]3c2ccccc21 ZINC000102803722 ED Annotated Anodyne [O-][n+]1nc(NCOCc2ccc(Cl)cc2)[n+]([O-])c2ccccc21 ZINC000102807247 ED Annotated Anodyne CC1=C(Sc2cccc(F)c2)[C@H](COCCO)C(=O)NC1=O ZINC000102807413 ED Annotated Anodyne CC1=C(Sc2cccc(F)c2)[C@@H](COCCO)C(=O)NC1=O ZINC000102807415 ED Annotated Anodyne C[C@@H]1CCC(=O)C2=C3O[C@@]4(C)[C@H](C)C[C@@]3(OC2=O)[C@H](/C=C/[C@H]1O)[C@H]4O ZINC000102807655 ED Annotated Mild C[C@@H]1CCC(=O)C2=C3O[C@@]4(C)[C@H](C)C[C@@]3(OC2=O)[C@H](/C=C/C1=O)[C@H]4O ZINC000102807658 ED Annotated Mild COc1ccc(COCNc2n[n+]([O-])c3ccccc3[n+]2[O-])cc1 ZINC000102812013 ED Annotated Anodyne CC1=C(Sc2cccc(Cl)c2)[C@H](COCCO)C(=O)NC1=O ZINC000102812761 ED Annotated Anodyne CC1=C(Sc2cccc(Cl)c2)[C@@H](COCCO)C(=O)NC1=O ZINC000102812763 ED Annotated Anodyne COc1cccc(SC2=C(C)C(=O)NC(=O)[C@H]2COCCO)c1 ZINC000102816284 ED Annotated Anodyne COc1cccc(SC2=C(C)C(=O)NC(=O)[C@@H]2COCCO)c1 ZINC000102816287 ED Annotated Anodyne CC(C)C1=C(Sc2ccccc2)[C@H](COCCO)C(=O)NC1=O ZINC000102816289 ED Annotated Anodyne CC(C)C1=C(Sc2ccccc2)[C@@H](COCCO)C(=O)NC1=O ZINC000102816292 ED Annotated Anodyne COc1ccc2c(c1)[n+]([O-])nc(NCOCc1ccccc1)[n+]2[O-] ZINC000102819180 ED Annotated Anodyne COc1ccc2c(c1)[n+]([O-])nc(NCO[C@@H](C)c1ccccc1)[n+]2[O-] ZINC000102819181 ED Annotated Anodyne COc1ccc2c(c1)[n+]([O-])nc(NCO[C@H](C)c1ccccc1)[n+]2[O-] ZINC000102819184 ED Annotated Anodyne CC1=C(Sc2cc(C)cc(C)c2)[C@@H](COCCO)C(=O)NC1=O ZINC000102826828 ED Annotated Anodyne CC1=C(Sc2cc(C)cc(C)c2)[C@H](COCCO)C(=O)NC1=O ZINC000102826829 ED Annotated Anodyne CCOC(=O)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1c3ccccc3[C@@H]2N1N=O ZINC000102830526 ED Annotated Anodyne CCOC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1c3ccccc3[C@@H]2N1N=O ZINC000102830528 ED Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1 ZINC000102834285 ED Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@H](O)COCc1ccccc1 ZINC000102834288 ED Annotated Anodyne Cc1cc(NC(=O)CCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n[nH]1 ZINC000102839494 ED Annotated Anodyne Cc1cc(NC(=O)CCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n[nH]1 ZINC000102839498 ED Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1C[C@@H](O)COCc1ccccc1)[C@H]1C=C[C@H]2C1 ZINC000102868146 ED Annotated Anodyne Sc1c2ncnc-2ncn1CCSc1[nH]cnc2ncnc1-2 ZINC000102873343 ED Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C/NCCCO)C=C3C=O ZINC000102907066 ED Annotated Reactive C=C(C)C(=O)O[C@@H]1C/C(CO)=C\[C@H](O)C/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]21 ZINC000102915941 ED Annotated Anodyne CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102930109 ED Annotated Anodyne S=C(NNC(=S)N[C@@H]1C[C@@H]2C=C[C@H]1C2)N[C@@H]1C[C@H]2C=C[C@H]1C2 ZINC000102932699 ED Annotated Anodyne S=C(NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000102932703 ED Annotated Anodyne COC1=C(OC)C(=O)C([C@@H]2COc3c(ccc(O)c3OC)C2)=CC1=O ZINC000102938399 ED Annotated Mild CCOC(=O)[C@]12O[C@@](OCC)(CC1(OCC)OCC)C1(CC1)C2=O ZINC000102939124 ED Annotated Anodyne CCOC(=O)[C@@]12O[C@](OCC)(CC1(OCC)OCC)C1(CC1)C2=O ZINC000102939126 ED Annotated Anodyne N#Cc1c(O)c(/C=N/c2ncccn2)c(=O)n2c1[nH]c1ccccc12 ZINC000102943510 ED Annotated Mild COc1ccc(CCN2C(=O)C[C@@]34C=C[C@H](C[C@@H]3C2=O)O4)cc1OC ZINC000102946154 ED Annotated Anodyne COc1ccc(CCN2C(=O)C[C@]34C=C[C@@H](C[C@@H]3C2=O)O4)cc1OC ZINC000102946157 ED Annotated Anodyne CC[C@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)OC ZINC000102947514 ED Annotated Mild CCOC(=O)c1ccc(C(=O)[C@@H](C(C)=O)C(=O)OC(C)(C)C)n1C ZINC000102952456 ED Annotated Anodyne CCOC(=O)c1ccc(C(=O)[C@H](C(C)=O)C(=O)OC(C)(C)C)n1C ZINC000102952458 ED Annotated Anodyne COC(=O)[C@H]1C=CN(N(C)C)C2=C1C(=O)c1c(O)cccc1C2=O ZINC000102953155 ED Annotated Mild CC(=O)OC1=C[C@]2(OC(C)=O)CC(C)(C)[C@@H]1[C@H]1C(=O)C=CC(=O)[C@@H]12 ZINC000102956673 ED Annotated Mild CC(=O)OC1=C[C@@]2(OC(C)=O)CC(C)(C)[C@H]1[C@H]1C(=O)C=CC(=O)[C@@H]12 ZINC000102956675 ED Annotated Mild CC1=NNC(=O)[C@@H]1[C@@H]1CC(c2c[nH]c3ccccc23)=NNC1=S ZINC000102963791 ED Annotated Anodyne CC1=NNC(=O)[C@H]1[C@@H]1CC(c2c[nH]c3ccccc23)=NNC1=S ZINC000102963794 ED Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@H]1CC(c2c[nH]c3ccccc23)=NNC1=S ZINC000102963797 ED Annotated Anodyne CC1=NNC(=O)[C@H]1[C@H]1CC(c2c[nH]c3ccccc23)=NNC1=S ZINC000102963799 ED Annotated Anodyne CN(C(=O)C12[C@@H]3C4C5[C@@H]3C1(C(=O)C13C6C7C8C6C1C8C73)[C@@H]5[C@@H]42)C(C)(C)C ZINC000102966748 ED Annotated Anodyne CN(C(=O)C12[C@H]3C4C5[C@@H]3C1(C(=O)C13C6C7C8C6C1C8C73)[C@@H]5[C@@H]42)C(C)(C)C ZINC000102966749 ED Annotated Anodyne C/C=C/C=C/C(=O)O[C@H]1CC/C=C\[C@@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000102968203 ED Annotated Anodyne COc1ccc(/C=N\N2CC(=O)N3[C@@H]4C=C[C@H](CC4)N3C2=O)cc1 ZINC000102977774 ED Annotated Mild CSc1ccc([C@@H]2[C@]3(C#N)C4(N=C(N)[C@@]23C#N)OCCO4)cc1 ZINC000102977995 ED Annotated Mild CCOC(=O)/C(O)=C1\C(=O)N(C)C(=O)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102978222 ED Annotated Anodyne CCOC(=O)/C(O)=C1\C(=O)N(C)C(=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102978224 ED Annotated Anodyne N#CC1(C#N)[C@@H](c2ccccc2)N[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=O)N3 ZINC000102978746 ED Annotated Anodyne N#CC1(C#N)[C@H](c2ccccc2)N[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=O)N3 ZINC000102978750 ED Annotated Anodyne COC1=C(OC)[C@@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3)CC1=O ZINC000102982952 ED Annotated Mild COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CCN3)CC1=O ZINC000102982957 ED Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@H](CO)NC1=O ZINC000102993876 ED Annotated Mild CCSC1=N[C@H](C(=O)OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103000385 ED Annotated Anodyne CCSC1=N[C@@H](C(=O)OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103000388 ED Annotated Anodyne CCCSC1=N[C@@H](C(=O)OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103000861 ED Annotated Anodyne COC(=O)[C@H]1N=C(SC(C)C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000103000863 ED Annotated Anodyne COC(=O)[C@@H]1N=C(SC(C)C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000103000865 ED Annotated Anodyne CSC1=Nc2c(c(C)c(C)n2CCCC(=O)O)C2=NC(=O)CN12 ZINC000103006381 ED Annotated Anodyne CCCSC1=N[C@H](C(=O)OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103007796 ED Annotated Anodyne CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2[nH]oc(=O)c2C1 ZINC000103012722 ED Annotated Anodyne CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2[nH]oc(=O)c2C1 ZINC000103012724 ED Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@H]2[C@@H]1C)N1CC[C@H]3[C@@]41C ZINC000103015818 ED Annotated Anodyne CN1C(=O)C(Cc2nccc3c2[nH]c2ccccc23)C(=O)N(C)C1=O ZINC000103021619 ED Annotated Anodyne CCCNC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)C[C@@H]3O ZINC000103025084 ED Annotated Mild C[C@H]1C[C@@H](C)C(=O)C2=C3O[C@@H]4[C@H](C)C[C@@]3(OC2=O)[C@@H](/C=C/C1=O)[C@H]4O ZINC000103031700 ED Annotated Mild C[C@H]1C[C@@H](C)C(=O)C2=C3O[C@H]4[C@H](C)C[C@@]3(OC2=O)[C@@H](/C=C/C1=O)[C@H]4O ZINC000103031702 ED Annotated Mild C[C@H]1C[C@@H](C)C(=O)C2=C3O[C@H]4[C@H](C)C[C@@]3(OC2=O)[C@H](/C=C/C1=O)[C@H]4O ZINC000103031705 ED Annotated Mild [O-][n+]1nc(NC2CCCC2)[n+]([O-])c2ccc(Br)cc21 ZINC000103066491 ED Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1N/N=C1\C(=O)N(c2ccccc2)N=C1N ZINC000103070085 ED Annotated Mild Cc1cccc(C(=O)O[C@H]2[C@H](C)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@]23O4)c1 ZINC000103109056 ED Annotated Anodyne O=C1C=C[C@@]2(O)OC[C@@H]3C=C4O[C@@H]5OC6(CCCCC6)O[C@@H]5[C@@H]4[C@@H]2[C@@H]13 ZINC000103109771 ED Annotated Mild O=C1C=C[C@@]2(O)OC[C@@H]3C=C4O[C@@H]5OC6(CCCCC6)O[C@@H]5[C@H]4[C@@H]2[C@@H]13 ZINC000103109779 ED Annotated Mild COC(=O)[C@@H]1[C@H](C(=O)OC)[C@]1(Br)CBr ZINC000103132005 ED Annotated Reactive O=C1C[C@@H]2[C@@H](N3CCCC3)CC[C@@H](N1Cc1ccccc1)C2(O)O ZINC000103132744 ED Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138289 ED Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138291 ED Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138366 ED Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138369 ED Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC=C2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000103138892 ED Annotated Mild Cc1ccc2c(c1)[n+]([O-])c(C#N)c(NC(=O)c1cccs1)[n+]2[O-] ZINC000103147763 ED Annotated Mild Cc1cc2c(cc1C)[n+]([O-])c(NC(=O)c1cccs1)c(C#N)[n+]2[O-] ZINC000103147765 ED Annotated Mild N#Cc1c(NC(=O)c2cccs2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000103147772 ED Annotated Mild Cc1nc2ccccc2c(=O)n1NC(=O)[C@H]1Nc2ccccc2C1=O ZINC000103164093 ED Annotated Anodyne Cc1nc2ccccc2c(=O)n1NC(=O)[C@@H]1Nc2ccccc2C1=O ZINC000103164095 ED Annotated Anodyne COc1cc(C[C@@]2(C)C(=N)NC(=S)NC2=O)cc(OC)c1OC ZINC000103169227 ED Annotated Anodyne COc1cc(C[C@]2(C)C(=N)NC(=S)NC2=O)cc(OC)c1OC ZINC000103169229 ED Annotated Anodyne C=CCNC(=O)c1ccc[n+](CC(=O)Nc2ccc(OC)cc2)c1 ZINC000103172211 ED Annotated Mild C=CCNC(=O)c1ccc[n+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000103172214 ED Annotated Mild O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCNCC1 ZINC000103174365 ED Annotated Anodyne Cc1nc(C)n(O)c1C(=O)c1ccc(S(C)(=O)=O)c2ncccc12 ZINC000103174385 ED Annotated Anodyne NCCCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3 ZINC000103176215 ED Annotated Anodyne C[C@@H](O)[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000103178798 ED Annotated Anodyne CCc1cc(C)cc(CC)c1C1C(=O)N2CCC(O)CCN2C1=O ZINC000103183065 ED Annotated Clean CS(=O)(=O)Oc1cccc(S(=O)(=O)Cc2ccccc2)n1 ZINC000103185305 ED Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(OCCO)c(=O)[nH]c1=O ZINC000103186237 ED Annotated Anodyne COCCOC(=O)/C(C#N)=C(/NCc1ccc(OC)nc1)SC ZINC000103186352 ED Annotated Reactive CC(=O)N[C@]12C=CC(=O)C=C[C@@H]1c1c(cc(O)c(O)c1O)C[C@H]2C ZINC000103186973 ED Annotated Mild CC(=O)N[C@]12C=CC(=O)C=C[C@@H]1c1c(cc(O)c(O)c1O)C[C@@H]2C ZINC000103186974 ED Annotated Mild CC(=O)N[C@]12C=CC(=O)C=C[C@H]1c1c(cc(O)c(O)c1O)C[C@H]2C ZINC000103186976 ED Annotated Mild CC(=O)N[C@]12C=CC(=O)C=C[C@H]1c1c(cc(O)c(O)c1O)C[C@@H]2C ZINC000103186978 ED Annotated Mild NCCCC(=O)N/N=C/c1ccccc1I ZINC000103186989 ED Annotated Reactive Oc1c[n+](-c2ccc(Cc3ccc(-[n+]4cc(O)on4)cc3)cc2)no1 ZINC000103194421 ED Annotated Anodyne NC(=O)c1c(N)oc2ccc(I)cc2c1=O ZINC000103194603 ED Annotated Anodyne CN(C(=O)c1c(Cl)nc2n1CCS2(=O)=O)c1ccccc1 ZINC000103195771 ED Annotated Anodyne O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1cccs1 ZINC000103199406 ED Annotated Anodyne O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1cccs1 ZINC000103199408 ED Annotated Anodyne O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1ccccc1F ZINC000103199611 ED Annotated Anodyne O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1ccccc1F ZINC000103199613 ED Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1ncc(C)o1)SC ZINC000103200519 ED Annotated Reactive CCc1cc(C2=NN3C(c4snnc4C)=NN[C@@H]3S2)nn1C ZINC000103202378 ED Annotated Anodyne CCc1cc(C2=NN3C(c4snnc4C)=NN[C@H]3S2)nn1C ZINC000103202381 ED Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OC)nc1)C(C)C ZINC000103203615 ED Annotated Reactive COC(=O)c1cc(=O)n2nc3c(Cl)nc4ccc(C)cc4n3c2n1 ZINC000103205763 ED Annotated Bother Cc1nnsc1C1=NN[C@H]2SC(c3cccc([N+](=O)[O-])c3)=NN12 ZINC000103206373 ED Annotated Bother Cc1nnsc1C1=NN[C@@H]2SC(c3cccc([N+](=O)[O-])c3)=NN12 ZINC000103206377 ED Annotated Bother COc1ccc(C2=NN3C(c4snnc4C)=NN[C@H]3S2)cc1 ZINC000103206399 ED Annotated Anodyne COc1ccc(C2=NN3C(c4snnc4C)=NN[C@@H]3S2)cc1 ZINC000103206401 ED Annotated Anodyne C/C=C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)[C@H](C)O)C(=O)C2=CO1 ZINC000103206770 ED Annotated Mild COc1ccccc1C1=NN2C(c3snnc3C)=NN[C@H]2S1 ZINC000103207810 ED Annotated Anodyne COc1ccccc1C1=NN2C(c3snnc3C)=NN[C@@H]2S1 ZINC000103207814 ED Annotated Anodyne CC1=CC(=O)/C(=C(/C)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)O1 ZINC000103208957 ED Annotated Mild CCn1cc(C(=O)N/N=C/c2ccccn2)c(=O)c2ccc(C)nc21 ZINC000103209037 ED Annotated Reactive CCN(CC)CC(=O)Nn1c(S)nnc1-c1ccc(OC)cc1 ZINC000103210527 ED Annotated Anodyne Cc1nnsc1C1=NN[C@H]2SC(c3ccc([N+](=O)[O-])cc3)=NN12 ZINC000103216876 ED Annotated Bother Cc1nnsc1C1=NN[C@@H]2SC(c3ccc([N+](=O)[O-])cc3)=NN12 ZINC000103216880 ED Annotated Bother O=C1CCCN1C[C@@H](O)CN1CCN(c2ccc(F)cc2F)CC1 ZINC000103218640 ED Annotated Anodyne O=C1CCCN1C[C@H](O)CN1CCN(c2ccc(F)cc2F)CC1 ZINC000103218643 ED Annotated Anodyne CCNCc1nn2c(=O)c3cnn(-c4ccccc4)c3nc2s1 ZINC000103219975 ED Annotated Anodyne COc1cccc(C2=NN3C(c4snnc4C)=NN[C@H]3S2)c1 ZINC000103221030 ED Annotated Anodyne COc1cccc(C2=NN3C(c4snnc4C)=NN[C@@H]3S2)c1 ZINC000103221031 ED Annotated Anodyne CC1=NN(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)C(=O)CC1 ZINC000103221521 ED Annotated Reactive CCOCCOC(=O)/C(C#N)=C(/CC)NCc1cnc(OC)nc1 ZINC000103222726 ED Annotated Reactive CCCN1C[C@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000103224186 ED Annotated Anodyne CCCN1C[C@@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000103224189 ED Annotated Anodyne COc1ccc(/C=N/n2c(S)nnc2-c2cnccn2)cc1OC ZINC000103225626 ED Annotated Mild O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2cnccn2)cc1 ZINC000103225639 ED Annotated Mild CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)C1CCCC1 ZINC000103228761 ED Annotated Anodyne O=C(CCCC[C@@H]1CCSS1)NCCOS(=O)(=O)O ZINC000103229828 ED Annotated Reactive O=C(CCCC[C@@H]1CCSS1)NCCOP(=O)(O)O ZINC000103229833 ED Annotated Reactive O=C1NC(=O)/C(=C\c2ccc(-c3ccc4c(c3)CNC4=O)s2)N1 ZINC000103231569 ED Annotated Anodyne O=C1C=C(NCCc2cc(O)c(O)c(O)c2)C(=O)c2ncccc21 ZINC000103234343 ED Annotated Mild O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)CNC3=O)cn1 ZINC000103234948 ED Annotated Anodyne O=c1c(Br)c(N2CC3(COC3)C2)cnn1-c1ccccc1 ZINC000103235321 ED Annotated Anodyne CC(=O)c1nnn(-c2cnn(-c3ccccc3)c(=O)c2Cl)c1C ZINC000103235329 ED Annotated Anodyne NC(=O)c1cc(-c2cccc3[nH]ncc23)cc2c(C#CCO)n[nH]c12 ZINC000103236218 ED Annotated Mild NC(=O)c1cc(-c2cc(N)cc3[nH]ncc23)cc2c(C#CCO)n[nH]c12 ZINC000103236220 ED Annotated Mild NC(=O)c1cc(-c2cccc3[nH]ncc23)cc2c(C#CCCO)n[nH]c12 ZINC000103236222 ED Annotated Mild COc1cccc2c1C(=O)C1=C(C[C@H](Cn3ccnn3)O[C@@H]1C)C2=O ZINC000103236780 ED Annotated Mild COc1cccc2c1C(=O)C1=C(C[C@H](Cc3nnn[nH]3)O[C@@H]1C)C2=O ZINC000103236796 ED Annotated Mild NC(=O)c1cccc(-c2ccc(/C=C3/NC(=S)NC3=O)s2)c1 ZINC000103237628 ED Annotated Anodyne COC(=O)CNC(=O)c1c(NO)cc(-c2ccc(C)cc2)oc1=O ZINC000103238512 ED Annotated Anodyne COC(=O)CNC(=O)c1c(NO)cc(-c2ccc(OC)cc2)oc1=O ZINC000103238514 ED Annotated Anodyne COC(=O)CNC(=O)c1c(NO)cc(-c2ccc(F)cc2)oc1=O ZINC000103238562 ED Annotated Anodyne O=C(CN1CCc2sccc2C1)N/N=C/c1ccc(O)c(O)c1 ZINC000103239001 ED Annotated Reactive COc1cccc(N)c1/C=N/NC(=O)CN1CCc2sccc2C1 ZINC000103239010 ED Annotated Reactive C=C1[C@@H]2C=C[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](O)OC[C@]234)[C@@H]1O ZINC000103239258 ED Annotated Mild Cc1c(O)cc(C[C@@H](O)C[C@H](O)CCCCCCCO)oc1=O ZINC000103239315 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@H](O)C[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240330 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240333 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240335 ED Annotated Mild C=C(C)[C@@H]1CC(=O)C[C@H]2C(=O)[C@@H]3[C@@H]4C(=C[C@@H]12)C(=O)O[C@@H]4C[C@]3(C)O ZINC000103241922 ED Annotated Mild O=C(O)CCNC(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC000103243249 ED Annotated Clean COC(=O)CNC(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC000103243256 ED Annotated Clean O=S(=O)(c1ccc(Br)cc1)N1C[C@@H]2CNC[C@@H](C2)C1 ZINC000103243594 ED Annotated Anodyne O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CC2)CC1 ZINC000103244083 ED Annotated Anodyne O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CC2)CC1 ZINC000103244085 ED Annotated Anodyne CCOC(=O)Cc1nnc2n(c1=O)CCN2c1cccc(Cl)c1 ZINC000103247542 ED Annotated Anodyne CCOC(=O)Cc1nnc2n(c1=O)CCN2c1ccc(Cl)cc1 ZINC000103247544 ED Annotated Anodyne O=S(=O)(CCN1CCCC1)NCc1ccc(Br)cc1 ZINC000103249028 ED Annotated Anodyne C=C1c2c(ncn(C[C@H](O)COc3ccccc3)c2=O)OC1(C)C ZINC000103252107 ED Annotated Mild C=C1c2c(ncn(C[C@@H](O)COc3ccccc3)c2=O)OC1(C)C ZINC000103252109 ED Annotated Mild Cn1nc(N)c2ccc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cc21 ZINC000103252536 ED Annotated Anodyne Cn1c(=O)[nH]c2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc21 ZINC000103252540 ED Annotated Anodyne Cn1c(N)nc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc21 ZINC000103252542 ED Annotated Anodyne C=CC(=O)Nc1ccnc(Sc2c(OC)nc(OC)nc2OC)n1 ZINC000103254895 ED Annotated Anodyne O=C(C[C@@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000103256330 ED Annotated Bother O=C(C[C@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000103256331 ED Annotated Bother NS(=O)(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000103260811 ED Annotated Bother CCCNC(=O)c1cccnc1N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000103263281 ED Annotated Anodyne CCCNC(=O)c1cccnc1N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000103263282 ED Annotated Anodyne CNC(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000103264646 ED Annotated Anodyne N=c1c(S(=O)(=O)c2ccccc2)c(NCCO)nc2ccccn12 ZINC000103268198 ED Annotated Anodyne C#CCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 ZINC000103268971 ED Annotated Mild COCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 ZINC000103268992 ED Annotated Anodyne COCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 ZINC000103269000 ED Annotated Anodyne O[C@@H]1[C@@H](OC[C@@H]2CO2)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000103269006 ED Annotated Anodyne COC1=C(I)C(=O)c2nc(C#N)ccc2C1=O ZINC000103269675 ED Annotated Mild COC(=O)c1cccc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)n1 ZINC000103269701 ED Annotated Mild CCCS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 ZINC000103272250 ED Annotated Anodyne CCCS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 ZINC000103272251 ED Annotated Anodyne N#C/C(=N\Nc1ccccc1I)c1nnn[nH]1 ZINC000103272341 ED Annotated Mild COc1cc(/C(O)=C2\C(=O)CN(C3CC3)C2=O)cc(OC)c1OC ZINC000103273855 ED Annotated Mild COCCOCOc1cccc(/C(O)=C2\C(=O)CN(C3CC3)C2=O)c1 ZINC000103273860 ED Annotated Mild COCCOCOc1ccc(/C(O)=C2\C(=O)CN(C3CC3)C2=O)cc1 ZINC000103273862 ED Annotated Mild COc1cc(/C(O)=C2\C(=O)CN(C(C)C)C2=O)cc(OC)c1OC ZINC000103273949 ED Annotated Mild COc1cc(OC)c(/C(O)=C2\C(=O)CN(C(C)C)C2=O)cc1OC ZINC000103273952 ED Annotated Mild COCCOCOc1ccccc1/C(O)=C1\C(=O)CN(C(C)C)C1=O ZINC000103273957 ED Annotated Mild COCCOCOc1cccc(/C(O)=C2\C(=O)CN(C(C)C)C2=O)c1 ZINC000103273961 ED Annotated Mild COCCOCOc1ccc(/C(O)=C2\C(=O)CN(C(C)C)C2=O)cc1 ZINC000103273967 ED Annotated Mild N#C/C(=N\Nc1ccc(I)cc1)c1nnn[nH]1 ZINC000103274094 ED Annotated Mild CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)C[C@H]3C[C@H]3C2=O)c(Cl)c1 ZINC000103275130 ED Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)C[C@H]3C[C@H]3C2=O)c(Cl)c1 ZINC000103275132 ED Annotated Anodyne COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1O ZINC000103275140 ED Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1O ZINC000103275142 ED Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1O ZINC000103275144 ED Annotated Reactive COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1O ZINC000103275146 ED Annotated Reactive COc1ccc([C@H]2SCC(=O)N2NC(=O)c2ccncc2)cc1O ZINC000103276565 ED Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2ccncc2)cc1O ZINC000103276567 ED Annotated Anodyne CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ccccc1 ZINC000103277028 ED Annotated Anodyne CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ccccc1 ZINC000103277030 ED Annotated Anodyne CC1=CC2=NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cn3)C(=O)N2C=C1 ZINC000103277432 ED Annotated Clean COc1cc2c3c(c1OC)C1=CC[C@H](O)C[C@@H](O)[C@H](O1)[C@@H]3N(C)CC2 ZINC000103279438 ED Annotated Anodyne Cc1cc2ncn(Cc3cn(CCCP(=O)(O)O)nn3)c2cc1C ZINC000103279807 ED Annotated Anodyne CCOP(=O)(Cn1cc(Cn2ccccc2=O)nn1)OCC ZINC000103279907 ED Annotated Anodyne O=C(O)c1cn(C2CCC2)c2cc(N3CCNCC3)ccc2c1=O ZINC000103280588 ED Annotated Anodyne CC1CCN(C[C@H](O)CN2C(=O)C3=C(SCCS3)C2=O)CC1 ZINC000103281048 ED Annotated Anodyne CC1CCN(C[C@@H](O)CN2C(=O)C3=C(SCCS3)C2=O)CC1 ZINC000103281051 ED Annotated Anodyne CCOP(=O)(CCn1cc(Cn2ccccc2=O)nn1)OCC ZINC000103281605 ED Annotated Anodyne O=C1O[C@@H](c2ccc(O)c(O)c2)[C@H](CO)/C1=C\c1ccc(O)c(O)c1 ZINC000103281689 ED Annotated Clean O=C(NCCc1ccccc1)N/N=C/c1ccc2c(c1)no[n+]2[O-] ZINC000103283227 ED Annotated Reactive CC(C)(C)n1cc(C(=O)O)c(=O)c2ccc(N3CCNCC3)cc21 ZINC000103284743 ED Annotated Anodyne C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CCN1 ZINC000103284838 ED Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CCN1 ZINC000103284840 ED Annotated Anodyne COC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(C#Cc1cn3ccccc3n1)C2 ZINC000103287312 ED Annotated Mild COc1ccc2[nH]c(=O)c([C@H]3NC(=O)NC4=C3C(=O)CCC4)cc2c1 ZINC000103288463 ED Annotated Mild COc1ccc2[nH]c(=O)c([C@@H]3NC(=O)NC4=C3C(=O)CCC4)cc2c1 ZINC000103288466 ED Annotated Mild CCc1c(OC)cc2c(c1O)C(=O)C=C(OC)[C@@]21C[C@@H](O)C(=O)O1 ZINC000103290887 ED Annotated Mild CCOC(=O)CSCC(CSCC(=O)OCC)CN(C)C ZINC000103291214 ED Annotated Anodyne C[n+]1cn(CC(=O)c2ccc3ccccc3c2)c2nc(N)nc(O)c21 ZINC000103292805 ED Annotated Anodyne COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccncc1 ZINC000103295206 ED Annotated Reactive COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccncc1 ZINC000103295207 ED Annotated Reactive COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccncc1 ZINC000103295210 ED Annotated Reactive COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccncc1 ZINC000103295212 ED Annotated Reactive CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1 ZINC000103296943 ED Annotated Reactive CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1 ZINC000103296945 ED Annotated Reactive CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1 ZINC000103296947 ED Annotated Reactive CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1 ZINC000103296949 ED Annotated Reactive COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccncc2)ccc1O ZINC000103296967 ED Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccncc2)ccc1O ZINC000103296969 ED Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccncc2)ccc1O ZINC000103296970 ED Annotated Reactive COc1cc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccncc2)ccc1O ZINC000103296974 ED Annotated Reactive O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000103296977 ED Annotated Reactive O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000103296979 ED Annotated Reactive O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000103296982 ED Annotated Reactive O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000103296985 ED Annotated Reactive O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000103296988 ED Annotated Reactive O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000103296992 ED Annotated Reactive O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000103296994 ED Annotated Reactive O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000103296996 ED Annotated Reactive CCCCOC(=O)OC[C@@H]1CC[C@H](n2cnc3c(=O)nc[nH]c32)O1 ZINC000103297304 ED Annotated Anodyne O=C(NCC(=O)c1cnc2ncccn12)c1cc(Br)c[nH]1 ZINC000103298114 ED Annotated Anodyne Nc1ncc(C(=O)CCNC(=O)c2cc(Br)c[nH]2)[nH]1 ZINC000103298129 ED Annotated Anodyne O=C1CCC2=C1[C@@H](c1cncc([N+](=O)[O-])c1)C1=C(CCS1(=O)=O)N2 ZINC000103303153 ED Annotated Mild O=C1CCC2=C1[C@H](c1cncc([N+](=O)[O-])c1)C1=C(CCS1(=O)=O)N2 ZINC000103303156 ED Annotated Mild N#Cc1cccc([C@@H]2C3=C(CCC3=O)NC3=C2S(=O)(=O)CC3)n1 ZINC000103303522 ED Annotated Mild N#Cc1cccc([C@H]2C3=C(CCC3=O)NC3=C2S(=O)(=O)CC3)n1 ZINC000103303524 ED Annotated Mild N#Cc1ccnc([C@@H]2C3=C(CCC3=O)NC3=C2S(=O)(=O)CC3)c1 ZINC000103303644 ED Annotated Mild N#Cc1ccnc([C@H]2C3=C(CCC3=O)NC3=C2S(=O)(=O)CC3)c1 ZINC000103303648 ED Annotated Mild CN1CCN(CCC/N=c2\c([N+](=O)[O-])c(O)oc3ccccc23)CC1 ZINC000103520811 ED Annotated Bother CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@H](O)C(C(=O)O)=C3C1 ZINC000103524907 ED Annotated Anodyne in-vitro biogenic CNC(=N)N[C@H]1CC[C@]2(C)CC[C@@H]3CC4=C(C(=O)O)[C@H](O)C[C@@]42[C@]13C ZINC000103524989 ED Annotated Anodyne in-vitro biogenic COC1=C[C@@H]2C(=O)c3c(cc(O)c(OC)c3O)O[C@@H]2C(OC)=C1O ZINC000103534590 ED Annotated Anodyne in-vitro biogenic C[C@@H]1CCC[C@H](NC(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)[C@@H]1C ZINC000103535119 ED Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)[C@@H]1C ZINC000103535126 ED Annotated Anodyne C[C@H](NC(=O)CC/N=c1/c(N2CCCC2)c(O)c1=O)c1ccccc1 ZINC000103535139 ED Annotated Anodyne C[C@@H](NC(=O)CC/N=c1/c(N2CCCC2)c(O)c1=O)c1ccccc1 ZINC000103535143 ED Annotated Anodyne CC1CCC(NC(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)CC1 ZINC000103535221 ED Annotated Anodyne CCN1CCN(CCC/N=c2/c(-c3ccccc3)c(O)c2=O)CC1 ZINC000103535389 ED Annotated Anodyne O=C(Cn1ncc2c3ccccc3nc-2c1O)NC[C@@H]1CCCO1 ZINC000103535910 ED Annotated Anodyne O=C(Cn1ncc2c3ccccc3nc-2c1O)NC[C@H]1CCCO1 ZINC000103535913 ED Annotated Anodyne O=C(Cn1ncc2c3ccccc3nc-2c1O)NCc1ccccn1 ZINC000103536349 ED Annotated Anodyne Cc1ccc2nc3c(O)n(CC(=O)N4CCOCC4)ncc-3c2c1 ZINC000103536674 ED Annotated Anodyne COC(=O)c1sccc1-n1c(S)c(C#N)c(N)c(C#N)c1=N ZINC000103537918 ED Annotated Mild CC1(C)S[C@@H]([C@H](C=O)/N=C/N2CCCCCC2)N[C@H]1C(=O)O ZINC000103538943 ED Annotated Mild CC1(C)S[C@@H]([C@H](C=O)/N=C/N2CCCCCC2)N[C@@H]1C(=O)O ZINC000103538947 ED Annotated Mild CC1(C)S[C@H]([C@H](C=O)/N=C/N2CCCCCC2)N[C@H]1C(=O)O ZINC000103538954 ED Annotated Mild CC1(C)S[C@H]([C@H](C=O)/N=C/N2CCCCCC2)N[C@@H]1C(=O)O ZINC000103538961 ED Annotated Mild CCCOc1ccc([C@@H]2[C@@]3(C#N)C(N)=NC4(OCCO4)[C@]23C#N)cc1 ZINC000103546292 ED Annotated Mild N[C@@H](C[C@H]1C/C(=N\[C@H]2C[C@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000103558843 ED Annotated Mild N[C@@H](C[C@H]1C/C(=N\[C@H]2C[C@@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000103558847 ED Annotated Mild N[C@@H](C[C@H]1C/C(=N\[C@@H]2C[C@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000103558851 ED Annotated Mild N[C@@H](C[C@H]1C/C(=N\[C@@H]2C[C@@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000103558855 ED Annotated Mild C[C@]12C[C@H]3O[C@@H](O1)[C@@H]1[C@@]45C[C@@H](O)C[C@@]6(C)CN7[C@@H](C[C@@]1(C2)[C@@H]3[C@@H]74)[C@@H]56 ZINC000103560235 ED Annotated Anodyne in-vitro biogenic C=C1C[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)C[C@H](O)C[C@@]57[C@H]2C[C@H]1[C@@H](O)[C@H]3[C@H]7N4C6 ZINC000103569570 ED Annotated Mild in-vitro biogenic C=CCn1c(SCC(=O)N2CCCCC2)nc(=O)c(CC)c1O ZINC000103570157 ED Annotated Mild C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@H]3CC[C@@H]14 ZINC000103572029 ED Annotated Mild in-vitro biogenic CO[C@]12C[C@@]34CCCN3C[C@@H](O1)c1cc3c(cc1[C@@H]4[C@H]2O)OCO3 ZINC000103580170 ED Annotated Anodyne in-vitro biogenic C[C@@H](O)[C@]12CN(C)[C@@H]3[C@@H]4CO[C@@H](C[C@@H]41)[C@@]1(C(=O)Nc4ccccc41)[C@H]32 ZINC000103581894 ED Annotated Anodyne in-vitro biogenic COC1=C[C@]23CCN(C)[C@@H](Cc4cc(O)c(OC)cc42)C3=CC1=O ZINC000103584838 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@H]4C[C@H]5[C@]6([C@@H](OC[C@]5(C)CC[C@H]6O)O4)[C@H]2CC[C@@H]1[C@H]3O ZINC000103585513 ED Annotated Mild in-vitro biogenic CCOC(=O)NCCCCNC(=O)c1c(O)oc2ccccc2c1=O ZINC000103633498 ED Annotated Anodyne CCOC1=CC=C/C(=C\NN/C=C2\C=CC=C(OCC)C2=O)C1=O ZINC000103656148 ED Annotated Mild Cc1cccc([C@H]2C3=C(O)OCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000103663786 ED Annotated Anodyne Cc1cccc([C@@H]2C3=C(O)OCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000103663790 ED Annotated Anodyne CCc1ccc(S(=O)(=O)Nc2c(C)nc3nc[nH]n3c2=O)cc1 ZINC000103695779 ED Annotated Anodyne CCc1nc2nc(C)c(NS(=O)(=O)c3cccs3)c(=O)n2[nH]1 ZINC000103695824 ED Annotated Anodyne Cc1ccccc1[C@H]1C2=C(O)OCC2=Nc2c1c(=O)n(C)c(=O)n2C ZINC000103706824 ED Annotated Anodyne Cc1ccccc1[C@@H]1C2=C(O)OCC2=Nc2c1c(=O)n(C)c(=O)n2C ZINC000103706830 ED Annotated Anodyne O=C(NC1CC1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000103743367 ED Annotated Anodyne CC(C)NC(=O)c1nc2n(Cc3cccc(Cl)c3)[nH]nc-2c(=O)n1 ZINC000103743388 ED Annotated Anodyne COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc(C)c(C)cc43)[C@H]2N1C ZINC000103752731 ED Annotated Anodyne COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc(C)c(C)cc43)[C@H]2N1C ZINC000103752736 ED Annotated Anodyne COc1ccc(OC)c(N2C(=S)NN/C2=C2\C=CC(=O)C=C2O)c1 ZINC000103755022 ED Annotated Mild NC1=Nn2c(nc(-c3ccccc3)cc2=O)/C1=N/Nc1ccccc1 ZINC000103765229 ED Annotated Mild CC1=NC=C(CO)/C(=C/N/N=c2\sc3ccccc3n2C)C1=O ZINC000103804792 ED Annotated Mild CCOC(=O)c1ccc(N/N=C2\C(=O)NC(=O)C(C#N)=C2C)cc1 ZINC000103814160 ED Annotated Reactive Cc1ccc(S(=O)(=O)Nc2c(C)nc3nc(C)[nH]n3c2=O)c(C)c1 ZINC000103820775 ED Annotated Anodyne COC1=CC=C/C(=C\NC[C@H](C)N/C=C2\C=CC=C(OC)C2=O)C1=O ZINC000103823645 ED Annotated Mild COC1=CC=C/C(=C\NC[C@@H](C)N/C=C2\C=CC=C(OC)C2=O)C1=O ZINC000103823650 ED Annotated Mild O=C1C=c2ccccc2=C/C1=C1\NN=C2CSc3ccccc3N21 ZINC000103839325 ED Annotated Mild NC1=Nn2c(C(F)(F)F)cc(=O)nc2/C1=N/Nc1cccc(F)c1 ZINC000103864243 ED Annotated Mild COc1ccc2c(c1)=C(c1cccs1)NN=C(c1ccncc1)N=2 ZINC000103883863 ED Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)n1ccnc1)O2 ZINC000103904041 ED Annotated Anodyne COC(=O)CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 ZINC000103905809 ED Annotated Anodyne CCOC(=O)CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 ZINC000103905815 ED Annotated Anodyne CC1=NC=C(CO)/C(=C/NNC(=S)Nc2ccc(F)cc2)C1=O ZINC000103915451 ED Annotated Mild COc1ccc(CNC(=O)C2=C/C(=C3/C=C(C)C=CC3=O)NN2)cc1 ZINC000103917406 ED Annotated Mild CCOc1ccc(N/N=C2/C(=O)Nn3c2nc2c(c3=O)CCC2)cc1 ZINC000103920605 ED Annotated Mild Sc1c2ncnc-2ncn1CCSC1=NC=NC2=NC=N[C@@H]21 ZINC000103938953 ED Annotated Anodyne Sc1c2ncnc-2ncn1CCSC1=NC=NC2=NC=N[C@H]21 ZINC000103938958 ED Annotated Anodyne O=C(CSc1n[nH]c2c3ccccc3nc-2n1)N1CCOCC1 ZINC000103942269 ED Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C)CC4)[C@H]3[C@@H]3O[C@]132 ZINC000103949726 ED Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C)CC4)[C@H]3[C@H]3O[C@@]132 ZINC000103949731 ED Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN(C)C)[C@H]3[C@@H]3O[C@]132 ZINC000103950019 ED Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN(C)C)[C@H]3[C@H]3O[C@@]132 ZINC000103950023 ED Annotated Anodyne O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000103960598 ED Annotated Anodyne O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000103960602 ED Annotated Anodyne Cc1cc(C)n2nc(S[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)nc2n1 ZINC000103966564 ED Annotated Anodyne COC1=C/C(=C\NC[C@H](C)N/C=C2\C=C(OC)C=CC2=O)C(=O)C=C1 ZINC000103980282 ED Annotated Mild COC1=C/C(=C\NC[C@@H](C)N/C=C2\C=C(OC)C=CC2=O)C(=O)C=C1 ZINC000103980286 ED Annotated Mild CN1C(SCC(=O)NC2CCCCC2)=NN/C1=C1/C=CC=CC1=O ZINC000103988452 ED Annotated Mild O=C1C=CC([N+](=O)[O-])=C/C1=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103993807 ED Annotated Mild CCSCCO/C(O)=C1\C(C)=N[C@@]2(O)c3ccccc3C(=O)[C@]12O ZINC000103997951 ED Annotated Anodyne CCSCCO/C(O)=C1\C(C)=N[C@]2(O)c3ccccc3C(=O)[C@]12O ZINC000103997957 ED Annotated Anodyne CCSCCO/C(O)=C1\C(C)=N[C@@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000103997964 ED Annotated Anodyne CCSCCO/C(O)=C1\C(C)=N[C@]2(O)c3ccccc3C(=O)[C@@]12O ZINC000103997967 ED Annotated Anodyne CC1=CC(=O)/C(=C(\C)NNC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000104000362 ED Annotated Reactive CCOC1=CC(=O)/C(=C/NNc2cc(N3CCOCC3)ncn2)C=C1 ZINC000104001611 ED Annotated Mild C/C(NNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)=C1/C=CC=CC1=O ZINC000104004041 ED Annotated Reactive C/C(NNC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C)=C1/C=CC=CC1=O ZINC000104005785 ED Annotated Reactive C/C(NNC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C)=C1/C=CC=CC1=O ZINC000104005790 ED Annotated Reactive O=C1C=CC=C/C1=C1\C[C@H](C(=O)Nc2ccc3c(c2)OCO3)ON1 ZINC000104009028 ED Annotated Mild O=C1C=CC=C/C1=C1\C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)ON1 ZINC000104009033 ED Annotated Mild CCOc1ccccc1C1=N/C(=C2\C=c3ccc(C)cc3=NC2=O)NO1 ZINC000104009050 ED Annotated Anodyne CCOC1=C/C(=C\NN/C=C2\C=CC(=O)C(OCC)=C2)C=CC1=O ZINC000104011138 ED Annotated Mild O=C(O)COc1ccc(/C=C/C2=N/C(=C3\C=CC=CC3=O)NN2)cc1 ZINC000104013509 ED Annotated Mild C=CCN1C(SCC(=O)NC(C)(C)C)=NN/C1=C1/C=CC=CC1=O ZINC000104014528 ED Annotated Mild O=C1C=CC(=C2NNC(=S)N2c2ccc3c(c2)OCCO3)C=C1 ZINC000104020354 ED Annotated Mild O=C1C=C/C(=N\Nc2cc(Cl)cc(S(=O)(=O)O)c2O)C(O)=C1 ZINC000104023495 ED Annotated Mild COC1=C(OC)C(=O)/C(=C2\NC(N)=NC=C2c2csc(C)n2)C=C1 ZINC000104025446 ED Annotated Mild COC1=CC=C/C(=C\N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000104025871 ED Annotated Mild NC(=O)CSC1=NNC(=C2C=CC(=O)C=C2)N1Cc1ccco1 ZINC000104026179 ED Annotated Mild Cc1cc(NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2)no1 ZINC000104026189 ED Annotated Mild O=C(CSC1=N/C(=C2/C=CC=CC2=O)NN1)NC1CCCCC1 ZINC000104026197 ED Annotated Mild Cc1ccc2c(c1)N/C(=C1/C=C(NC(=O)c3ncn[nH]3)C=CC1=O)O2 ZINC000104026344 ED Annotated Mild COC(=O)c1ccc([C@@H]2/C(=C(\O)OC)C(C)=Nc3nnnn32)cc1 ZINC000104026363 ED Annotated Anodyne COC(=O)c1ccc([C@H]2/C(=C(\O)OC)C(C)=Nc3nnnn32)cc1 ZINC000104026367 ED Annotated Anodyne CC1=CC(=O)/C(=C(\C)NNC(=O)c2ccccc2[N+](=O)[O-])C(=O)O1 ZINC000104026369 ED Annotated Reactive NC(=O)C1=CNN2C1=N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000104027754 ED Annotated Anodyne NC(=O)C1=CNN2C1=N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000104027758 ED Annotated Anodyne NC(=O)C1=CNN2C1=N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000104027762 ED Annotated Anodyne NC(=O)C1=CNN2C1=N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000104027767 ED Annotated Anodyne COC1=CC(=O)/C(=C2/NC(N)=NC=C2Oc2cccc(OC)c2)C=C1 ZINC000104028070 ED Annotated Mild CC1=CC(N(C)N/C=C2\C=CC=CC2=O)=N/C(=C2\C=CC=CC2=O)N1 ZINC000104035038 ED Annotated Mild CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000104037933 ED Annotated Anodyne CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@@H]1Cn1nc(C)nc1C ZINC000104039677 ED Annotated Anodyne CC1=N[C@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OC[C@@H]1CCCO1 ZINC000104046138 ED Annotated Anodyne CC1=N[C@@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OC[C@@H]1CCCO1 ZINC000104046143 ED Annotated Anodyne CC1=N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OC[C@@H]1CCCO1 ZINC000104046148 ED Annotated Anodyne CC1=N[C@@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OC[C@@H]1CCCO1 ZINC000104046152 ED Annotated Anodyne COC(=O)[C@H](C)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 ZINC000104049389 ED Annotated Anodyne COC(=O)[C@H](C)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 ZINC000104051644 ED Annotated Anodyne COC(=O)[C@@H](C)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 ZINC000104051649 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)NCc1cccs1 ZINC000104053827 ED Annotated Anodyne O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1)NCc1cccs1 ZINC000104053830 ED Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000104056992 ED Annotated Anodyne CCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000104056999 ED Annotated Anodyne Cc1ccc(CN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 ZINC000104057031 ED Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 ZINC000104057037 ED Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000104088562 ED Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000104088567 ED Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)cc1OC ZINC000104092567 ED Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)cc1OC ZINC000104092573 ED Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2c(C)nc3nc[nH]n3c2=O)c(C)c1 ZINC000104111832 ED Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000104182594 ED Annotated Anodyne Cc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1 ZINC000104192344 ED Annotated Anodyne O=C1C[C@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@H]2C[C@H]6[C@H]5[C@H]43 ZINC000104289570 ED Annotated Anodyne O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C/C3=C/CO ZINC000104291286 ED Annotated Anodyne Cc1cccc(CN2CCN(Cc3cnn(C)c3)C[C@H]2CCO)n1 ZINC000104301916 ED Annotated Anodyne CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000104334828 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@@H]2[C@H](O)[C@H](OC(=O)/C(C)=C/C)[C@@H](C1)N2C ZINC000104348985 ED Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C[C@@H]2[C@H](O)[C@H](OC(=O)/C(C)=C/C)[C@@H](C1)N2C ZINC000104348987 ED Annotated Anodyne in-man C=C1[C@@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@H]1[C@@]42C[C@@H](O)C[C@@]1(C)C(=O)O2 ZINC000104354827 ED Annotated Mild in-man C=C1[C@@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@]2(C)C[C@H](O)C[C@]14OC2=O ZINC000104354831 ED Annotated Mild in-man C=C1[C@@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@H]1[C@@]42C[C@H](O)C[C@@]1(C)C(=O)O2 ZINC000104354835 ED Annotated Mild in-man C=C1[C@@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@]2(C)C[C@@H](O)C[C@]14OC2=O ZINC000104354840 ED Annotated Mild in-man C=C1[C@@H]2C[C@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@H]1[C@@]42CCC[C@@]1(C)C(=O)O2 ZINC000104354869 ED Annotated Mild in-man C=C1[C@@H]2C[C@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@]2(C)CCC[C@]14OC2=O ZINC000104354876 ED Annotated Mild in-man C=C1[C@@H]2C[C@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@@]2(C)CCC[C@@]14OC2=O ZINC000104354884 ED Annotated Mild in-man C=C1[C@@H]2C[C@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@]2(C)CCC[C@@]14OC2=O ZINC000104354889 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@](C)([C@@H]1[C@@H]3C(=O)O)[C@H]1O[C@@H]1[C@H]2O ZINC000104355538 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@@H]3C(=O)O)[C@H]1O[C@@H]1[C@H]2O ZINC000104355543 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)([C@H]4O[C@@H]4[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104355548 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@H]4O[C@@H]4[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104355553 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104365550 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)(C=C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104365560 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104365821 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104365828 ED Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@@]32CC[C@@H](O)[C@]1(C)C(=O)O2 ZINC000104365839 ED Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@@]32CC[C@H](O)[C@]1(C)C(=O)O2 ZINC000104365851 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)([C@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104365900 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104365908 ED Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104365916 ED Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104365921 ED Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@]12CC=C[C@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104371512 ED Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]12CC=C[C@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104371517 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371833 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371835 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104374190 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104374193 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104374313 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104374316 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104374981 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104374985 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104378492 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104378501 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104381064 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12OC(=O)[C@@](C)(C=C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104381070 ED Annotated Mild in-man CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000104404600 ED Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@@H]13)O2 ZINC000104404635 ED Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000104405344 ED Annotated Anodyne C[C@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@H](C(=O)O)[C@@H]4C=C[C@@]3(O4)[C@H]12 ZINC000104449937 ED Annotated Anodyne CC(C)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000104463463 ED Annotated Anodyne Cc1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)[nH]n1 ZINC000104475151 ED Annotated Anodyne C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C[C@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@H]2O ZINC000104528984 ED Annotated Mild CCCCn1c(O)cc(=O)nc1SCC(=O)N1CCCCC1 ZINC000104706242 ED Annotated Anodyne O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OC1CCCCC1 ZINC000104755786 ED Annotated Anodyne CCC1=N[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@H]2[C@H]1[C@H]3O ZINC000104966320 ED Annotated Anodyne C=C1C/C(=C\C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 ZINC000105033686 ED Annotated Mild O=C(O)[C@H]1[C@H]2C[C@@H]([C@@H](Br)[C@@H]2Br)[C@@H]1C(=O)O ZINC000105035286 ED Annotated Reactive O=C(O)[C@@H]1[C@H]2C[C@H]([C@@H]1C(=O)O)[C@@H](Br)[C@@H]2Br ZINC000105035289 ED Annotated Reactive O=C1C[C@H]2OCC=C3CN4C(=O)C[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46 ZINC000105181234 ED Annotated Anodyne O=C1C[C@@]23c4ccccc4N4C(=O)C[C@H]5OCC=C6CN1[C@@H]2C[C@@H]6[C@@H]5[C@@H]43 ZINC000105181240 ED Annotated Anodyne O=C1C[C@]23c4ccccc4N4C(=O)C[C@H]5OCC=C6CN1[C@@H]2C[C@@H]6[C@@H]5[C@@H]43 ZINC000105181247 ED Annotated Anodyne COC1=C[C@]23CCCN2C[C@H](O)c2cc4c(cc2[C@@H]3[C@H]1O)OCO4 ZINC000105236949 ED Annotated Anodyne COC1=C[C@]23CCCN2C[C@H](O)c2cc4c(cc2[C@H]3[C@H]1O)OCO4 ZINC000105236956 ED Annotated Anodyne COC1=C[C@]23CCCN2C[C@H](O)c2cc4c(cc2[C@H]3[C@@H]1O)OCO4 ZINC000105236958 ED Annotated Anodyne C/C(CC(=O)C(F)(F)F)=N/NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000105255465 ED Annotated Reactive CCC[C@H]1C2=C(C(=O)OC2=O)[C@@H]2[C@@H](CC)CC3=C(C(=O)OC3=O)[C@H]12 ZINC000105264929 ED Annotated Reactive CCC[C@@H]1C2=C(C(=O)OC2=O)[C@@H]2[C@@H](CC)CC3=C(C(=O)OC3=O)[C@H]12 ZINC000105264935 ED Annotated Reactive CCC[C@H]1C2=C(C(=O)OC2=O)[C@@H]2[C@@H](CC)CC3=C(C(=O)OC3=O)[C@@H]12 ZINC000105264939 ED Annotated Reactive CCC[C@@H]1C2=C(C(=O)OC2=O)[C@@H]2[C@@H](CC)CC3=C(C(=O)OC3=O)[C@@H]12 ZINC000105264942 ED Annotated Reactive CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000105320077 ED Annotated Anodyne CC[C@@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000105320080 ED Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)C(=O)/C=C/[C@@](C)(O)C[C@H](OC(=O)C(C)C)[C@@H]12 ZINC000105368435 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@H](C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000105368812 ED Annotated Mild C=C(C)[C@@H]1C/C=C2\C(=O)O[C@@H](C[C@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@H]2O ZINC000105380306 ED Annotated Mild C=C(C)[C@@H]1C/C=C2\C(=O)O[C@@H](C[C@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@@H]2O ZINC000105380312 ED Annotated Mild CC(=O)OC1=C[C@@]2(OC(C)=O)CC(C)(C)[C@H]1[C@@H]1C(=O)C=CC(=O)[C@H]12 ZINC000105474515 ED Annotated Mild CC(=O)OC1=C[C@@]2(OC(C)=O)CC(C)(C)[C@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]12 ZINC000105474518 ED Annotated Mild CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])O[C@@H](CCl)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000105481925 ED Annotated Reactive CCCC(=O)O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000105485316 ED Annotated Anodyne CN(C(=O)C12[C@@H]3C4C5[C@@H]3C1(C(=O)C13C6C7C8C6C1C8C73)[C@H]5[C@@H]42)C(C)(C)C ZINC000105495771 ED Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)C=C2CCN3Cc4cc5c(cc4[C@@H]1[C@@H]23)OCO5 ZINC000105508974 ED Annotated Anodyne Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H]1OC[C@](C)(O)[C@@H]1O3 ZINC000105514583 ED Annotated Bother in-man CC(C)(C)OC(=O)N1CC(=O)N(CCc2ccccc2)C[C@@H](O)C1 ZINC000105845857 ED Annotated Anodyne CC(C)(C)OC(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](O)C1 ZINC000105845860 ED Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N(Cc2ccco2)C[C@@H](O)C1 ZINC000105845928 ED Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N(Cc2ccco2)C[C@H](O)C1 ZINC000105845932 ED Annotated Anodyne Cc1ccc(C(=O)N2CC(=O)N(Cc3ccco3)C[C@@H](O)C2)cc1 ZINC000105845938 ED Annotated Anodyne Cc1ccc(C(=O)N2CC(=O)N(Cc3ccco3)C[C@H](O)C2)cc1 ZINC000105845942 ED Annotated Anodyne COc1ccccc1C(=O)N1CC(=O)N(Cc2ccco2)C[C@@H](O)C1 ZINC000105845946 ED Annotated Anodyne COc1ccccc1C(=O)N1CC(=O)N(Cc2ccco2)C[C@H](O)C1 ZINC000105845950 ED Annotated Anodyne Cc1ccc(C(=O)N2CC(=O)N(Cc3cccs3)C[C@@H](O)C2)cc1 ZINC000105846149 ED Annotated Anodyne Cc1ccc(C(=O)N2CC(=O)N(Cc3cccs3)C[C@H](O)C2)cc1 ZINC000105846153 ED Annotated Anodyne O=C1CN(C(=O)c2ccc(F)cc2)C[C@@H](O)CN1Cc1cccs1 ZINC000105846180 ED Annotated Anodyne O=C1CN(C(=O)c2ccc(F)cc2)C[C@H](O)CN1Cc1cccs1 ZINC000105846183 ED Annotated Anodyne C[C@H](O)CN1CC(C)(C)CN(C(=O)CCc2ccccc2)CC1=O ZINC000105847952 ED Annotated Anodyne C[C@@H](O)CN1CC(C)(C)CN(C(=O)CCc2ccccc2)CC1=O ZINC000105847955 ED Annotated Anodyne COc1ccccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](O)C1 ZINC000105849510 ED Annotated Anodyne COc1ccccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](O)C1 ZINC000105849512 ED Annotated Anodyne COc1ccccc1CN1C[C@@H](OC)CN(C(=O)CC(C)C)CC1=O ZINC000105849755 ED Annotated Anodyne COc1ccccc1CN1C[C@H](OC)CN(C(=O)CC(C)C)CC1=O ZINC000105849759 ED Annotated Anodyne CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105895998 ED Annotated Anodyne CC(=O)O[C@@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)OC(C)(C)C)[C@H]12 ZINC000106935217 ED Annotated Mild CC(=O)O[C@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)OC(C)(C)C)[C@H]12 ZINC000106935220 ED Annotated Mild COc1cc(N2CCC[C@]3(C(=O)O)CN(C(C)C)C[C@@H]3C2)ncn1 ZINC000107201468 ED Annotated Anodyne Fc1cnc(N2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccncc2)nc1 ZINC000107218412 ED Annotated Anodyne O=C(O)C1=C/C(=C/C=N/CCc2ccc(O)cc2)C[C@H](C(=O)O)N1 ZINC000109519137 ED Annotated Mild COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1[C@H](O)CO[C@@H]1O2 ZINC000111950045 ED Annotated Anodyne COc1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)c(OC)n1 ZINC000113412123 ED Annotated Mild COc1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)c(OC)n1 ZINC000113412126 ED Annotated Mild Cc1nc(-n2cnn(Cc3ccc(F)cc3)c2=O)sc1C(N)=O ZINC000113633196 ED Annotated Anodyne CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(O)cc12)c1ccccc1 ZINC000114344234 ED Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cc(O)cc12)c1ccccc1 ZINC000114344235 ED Annotated Anodyne COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1 ZINC000114345418 ED Annotated Anodyne NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1 ZINC000114346462 ED Annotated Anodyne NC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1 ZINC000114346464 ED Annotated Anodyne COc1ccccc1[C@@H](CN)Nc1ncnc2c(C(N)=O)cccc12 ZINC000114346982 ED Annotated Anodyne COc1ccccc1[C@H](CN)Nc1ncnc2c(C(N)=O)cccc12 ZINC000114346983 ED Annotated Anodyne CNC[C@H](Cc1ccccc1)Nc1ncnc2c(C(N)=O)cccc12 ZINC000114349794 ED Annotated Anodyne CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C(=O)O ZINC000114386442 ED Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2cc(F)c(S(N)(=O)=O)cc2s1 ZINC000114398055 ED Annotated Anodyne COc1cc2sc(-c3c(N4CCNCC4)n[nH]c3N)nc2cc1F ZINC000114398989 ED Annotated Anodyne CNS(=O)(=O)c1cc2sc(-c3c(N)n[nH]c3C)nc2cc1F ZINC000114399550 ED Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2c(F)cc(S(N)(=O)=O)cc2s1 ZINC000114399879 ED Annotated Anodyne Cn1c(N2CCO[C@@H]3CCC[C@H]32)nc(-c2ccncc2F)cc1=O ZINC000114416880 ED Annotated Anodyne C[C@@H]1N(c2nc(-c3ccncc3F)cc(=O)n2C)CCOC1(C)C ZINC000114419250 ED Annotated Anodyne C[C@H]1N(c2nc(-c3ccncc3F)cc(=O)n2C)CCOC1(C)C ZINC000114419251 ED Annotated Anodyne CC(C)[C@@H]1COCCN1c1nc(-c2ccncc2F)cc(=O)n1C ZINC000114419977 ED Annotated Anodyne CC(C)(C)c1ccccc1N1CCN(C(=O)Cc2nnn[nH]2)CC1 ZINC000114543547 ED Annotated Anodyne COc1ccc(NC(=O)N2CCNC[C@H]2COc2cccnc2)cc1 ZINC000114575852 ED Annotated Anodyne COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 ZINC000114575854 ED Annotated Anodyne c1cncc(OC[C@@H]2CNCCN2c2nc3ncccc3s2)c1 ZINC000114592247 ED Annotated Anodyne c1cncc(OC[C@H]2CNCCN2c2nc3ncccc3s2)c1 ZINC000114592248 ED Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2COC[C@@H]1c1cn[nH]c1C2 ZINC000114839155 ED Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CNC[C@@H]1c1cn[nH]c1C2 ZINC000114840103 ED Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CNC[C@H]1Cc1[nH]ncc12 ZINC000114840105 ED Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccccc3)c12 ZINC000114870748 ED Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3cccnc3)cc12 ZINC000114872426 ED Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(Br)c12 ZINC000114872503 ED Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3ccccc3)cc12 ZINC000114873437 ED Annotated Anodyne CC(=O)c1ccc(N2C[C@H](CNC(=O)CSC#N)OC2=O)cc1 ZINC000011524499 ED Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(C(C)=O)c([S@](C)=O)c2)C(=O)O1 ZINC000011524865 ED Annotated Anodyne CC(=O)NC[C@@H]1CN(c2ccc(C(C)=O)c([S@](C)=O)c2)C(=O)O1 ZINC000011524866 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C(C)=O)c([S@@](C)=O)c2)C(=O)O1 ZINC000011524867 ED Annotated Anodyne CC(=O)NC[C@@H]1CN(c2ccc(C(C)=O)c([S@@](C)=O)c2)C(=O)O1 ZINC000011524868 ED Annotated Anodyne O=S(=O)(c1ccc(O)nn1)c1ccc(Br)cc1F ZINC000011536165 ED Annotated Anodyne CC(=O)O[C@@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)OC(C)(C)C)[C@H]12 ZINC000011612914 ED Annotated Mild CC(=O)O[C@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)OC(C)(C)C)[C@H]12 ZINC000011612916 ED Annotated Mild COCCn1c(CN2CCCC2)cnc1S(=O)(=O)CCC(C)C ZINC000011661382 ED Annotated Anodyne CCOC(=O)CN(C)C(=O)c1cn(Cc2cccc(Cl)c2)nn1 ZINC000011662334 ED Annotated Anodyne CCn1ccnc1CNC(=O)c1cn(Cc2ccccc2F)nn1 ZINC000011664076 ED Annotated Anodyne Cn1ccnc1CNC(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011664495 ED Annotated Anodyne COc1cccc(OCc2cc(C(=O)N3CC[C@@H](N(C)C)C3)n[nH]2)c1 ZINC000011664683 ED Annotated Anodyne COc1cccc(OCc2cc(C(=O)N3CC[C@H](N(C)C)C3)n[nH]2)c1 ZINC000011664684 ED Annotated Anodyne CC(C)Cn1c(CN(C)CC2CCOCC2)cnc1S(C)(=O)=O ZINC000011664825 ED Annotated Anodyne O=C(Cn1nnnc1CN1CCCC1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000011717425 ED Annotated Anodyne Cc1cc(C)nc(CNC[C@]2(O)CCCN(CC(C)(C)C)C2=O)n1 ZINC000011719376 ED Annotated Anodyne Cc1cc(C)nc(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)n1 ZINC000011719384 ED Annotated Anodyne COC(=O)[C@@H](C)NC(=O)c1cc(CN(C)Cc2ccccc2)on1 ZINC000011759194 ED Annotated Anodyne O=C(NCCCn1cccn1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000011765970 ED Annotated Anodyne Cn1nc(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)ccc1=O ZINC000011769016 ED Annotated Anodyne Cn1nc(C(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)ccc1=O ZINC000011769023 ED Annotated Anodyne Cc1ccccc1N1C(=O)CN(C(=O)CCn2cccn2)C[C@H]1C ZINC000011787839 ED Annotated Anodyne Cc1ccccc1N1C(=O)CN(C(=O)CCn2cccn2)C[C@@H]1C ZINC000011787840 ED Annotated Anodyne COCCN1C[C@H](CNc2nncc(-c3ccccc3C)n2)CC1=O ZINC000011814952 ED Annotated Anodyne COCCN1C[C@@H](CNc2nncc(-c3ccccc3C)n2)CC1=O ZINC000011814954 ED Annotated Anodyne COCCCNc1nc2nonc2nc1N1CCN(C)C[C@@H]1C(C)C ZINC000011815935 ED Annotated Anodyne CCN1C[C@H](CN(C)Cc2nc(Cc3ccccc3)no2)CC1=O ZINC000011816340 ED Annotated Anodyne CCN1C[C@@H](CN(C)Cc2nc(Cc3ccccc3)no2)CC1=O ZINC000011816341 ED Annotated Anodyne Cn1cc(CNc2nc3nonc3nc2N2CCCCCC2)cn1 ZINC000011817436 ED Annotated Anodyne C1CCC(Nc2nc3nonc3nc2N2CCN3CCC[C@@H]3C2)C1 ZINC000011839813 ED Annotated Anodyne c1cnc(N2CCC[C@@H](NCc3cccn3-c3ncccn3)C2)nc1 ZINC000011844476 ED Annotated Anodyne c1cnc(N2CCC[C@H](NCc3cccn3-c3ncccn3)C2)nc1 ZINC000011844477 ED Annotated Anodyne O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@@H]1CCOC1 ZINC000011870623 ED Annotated Anodyne O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)[C@@H]1CCOC1 ZINC000011870625 ED Annotated Anodyne O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@H]1CCOC1 ZINC000011870627 ED Annotated Anodyne O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)[C@H]1CCOC1 ZINC000011870630 ED Annotated Anodyne Cc1cc(CNc2nc3nonc3nc2N2CCCCC2)nn1C ZINC000011878948 ED Annotated Anodyne C=CCNC1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1 ZINC000011910362 ED Annotated Mild Cc1ccsc1CN(C)c1nc2nonc2nc1N1CCOCC1 ZINC000011932671 ED Annotated Anodyne COCCN1C[C@@H](C(=O)NCCc2nc(C)c(C)s2)CCC1=O ZINC000011933287 ED Annotated Anodyne COCCN1C[C@H](C(=O)NCCc2nc(C)c(C)s2)CCC1=O ZINC000011933288 ED Annotated Anodyne NC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 ZINC000011933714 ED Annotated Anodyne NC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 ZINC000011933715 ED Annotated Anodyne O=C1CCC(CCC(=O)N2CCO[C@@H](Cc3ccccc3)C2)=NN1 ZINC000011934851 ED Annotated Anodyne O=C1CCC(CCC(=O)N2CCO[C@H](Cc3ccccc3)C2)=NN1 ZINC000011934852 ED Annotated Anodyne CN(C)S(=O)(=O)N1CCC(CO)(Cc2cccc(F)c2)CC1 ZINC000011934884 ED Annotated Anodyne COCCCn1c(CN(C)C)cnc1S(=O)(=O)C1CCCC1 ZINC000011935377 ED Annotated Anodyne Cc1cc(C)n(CCNc2nc3nonc3nc2N2CCCCC2)n1 ZINC000011946724 ED Annotated Anodyne Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)CCC(N)=O ZINC000011948686 ED Annotated Anodyne Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)CCC(N)=O ZINC000011948689 ED Annotated Anodyne c1nc(CCNc2nc3nonc3nc2N2CCSCC2)cs1 ZINC000011953153 ED Annotated Anodyne Cc1n[nH]c(C)c1CCN(C)c1nc2nonc2nc1N1CCCC1 ZINC000011957975 ED Annotated Anodyne Cc1cc(C)n(CCN(C)c2nc3nonc3nc2NC2CC2)n1 ZINC000011958653 ED Annotated Anodyne C[C@@H]1CN(CC(=O)NC(C)(C)CO)Cc2cc(Cl)ccc2O1 ZINC000011970604 ED Annotated Anodyne C[C@H]1CN(CC(=O)NC(C)(C)CO)Cc2cc(Cl)ccc2O1 ZINC000011970613 ED Annotated Anodyne COC(=O)c1cccc(CN2C(=O)/C(=C\C(N)=O)c3ccccc32)c1 ZINC000115123546 ED Annotated Anodyne CC(C)Nc1nc(-c2cnn(CC(=O)O)c2)cc2ncn(C)c(=O)c12 ZINC000115621990 ED Annotated Anodyne Cn1cnc2cc(-c3cnc4nc[nH]c4c3)nc(NC3CC3)c2c1=O ZINC000115622720 ED Annotated Anodyne COC(=O)c1cn(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 ZINC000115622853 ED Annotated Anodyne COc1cncc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)n1 ZINC000115624285 ED Annotated Anodyne CC(C)Nc1nc(Nc2cnccn2)cc2ncn(CCO)c(=O)c12 ZINC000115624811 ED Annotated Anodyne CCNc1nc(-c2ccc(C3(N)CC3)nc2)cc2ncn(C)c(=O)c12 ZINC000115624830 ED Annotated Anodyne COCCNc1nc(-c2ccc(F)nc2)cc2ncn(C)c(=O)c12 ZINC000115625572 ED Annotated Anodyne COCCn1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 ZINC000115625655 ED Annotated Anodyne Cn1cnc2cc(-c3ccc(C4(N)CC4)nc3)nc(NC3CC3)c2c1=O ZINC000115627024 ED Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3cccc(Nc4ccccc4)c3C2=O)C(=O)N1 ZINC000117654740 ED Annotated Anodyne O=C1CC[C@H](N2C(=O)c3cccc(Nc4ccccc4)c3C2=O)C(=O)N1 ZINC000117654742 ED Annotated Anodyne CNc1nc(C)c2cc(-c3cn[nH]c3)c(=O)n(C[C@@H]3CCOC3)c2n1 ZINC000117716388 ED Annotated Anodyne CNc1nc(C)c2cc(-c3cn[nH]c3)c(=O)n(C[C@H]3CCOC3)c2n1 ZINC000117716391 ED Annotated Anodyne O=C1NC(=O)/C(=C/c2ccc(-c3ccc4c(c3)CNC4=O)s2)N1 ZINC000117865276 ED Annotated Anodyne COCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118733905 ED Annotated Anodyne COCCN(C)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3 ZINC000118734268 ED Annotated Anodyne COc1cc(CNN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734423 ED Annotated Anodyne COc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734788 ED Annotated Anodyne O=C(Cn1cncn1)N1CCOc2ccc(CN3CCCC3)cc2C1 ZINC000012023688 ED Annotated Anodyne Cn1nccc1C(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000012025644 ED Annotated Anodyne Cn1nccc1C(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000012025649 ED Annotated Anodyne COc1ccc(CC2(CO)CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000012049798 ED Annotated Anodyne CN(C)c1nc2nonc2nc1N1CCCC[C@@H]1CCn1cccn1 ZINC000012057676 ED Annotated Anodyne CN(C)c1nc2nonc2nc1N1CCCC[C@H]1CCn1cccn1 ZINC000012057677 ED Annotated Anodyne COc1ccccc1CN1C[C@@H](C(=O)N2CCCCO2)CCC1=O ZINC000012058238 ED Annotated Anodyne COc1ccccc1CN1C[C@H](C(=O)N2CCCCO2)CCC1=O ZINC000012058240 ED Annotated Anodyne Cc1ccc(OCc2cc(C(=O)N3CCNC(=O)C3)no2)cc1C ZINC000012058500 ED Annotated Anodyne CCN(CC)C(=O)Cn1cc(C(=O)NCCc2cccc(F)c2)nn1 ZINC000012073517 ED Annotated Anodyne COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NCc1ccncc1)C2 ZINC000012077929 ED Annotated Anodyne COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NCc1ccncc1)C2 ZINC000012077931 ED Annotated Anodyne O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@@H]1CCCO1 ZINC000012079731 ED Annotated Anodyne O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)[C@@H]1CCCO1 ZINC000012079732 ED Annotated Anodyne O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@H]1CCCO1 ZINC000012079733 ED Annotated Anodyne O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)[C@H]1CCCO1 ZINC000012079734 ED Annotated Anodyne COc1cccc(OCc2cc(C(=O)N3CCNC(=O)CC3)no2)c1 ZINC000012090959 ED Annotated Anodyne c1cnn(CCCNc2nc3nonc3nc2N2CCCCC2)c1 ZINC000012111849 ED Annotated Anodyne CC(C)c1cc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)[nH]n1 ZINC000012115822 ED Annotated Anodyne Cc1ccc2cc(CN[C@@H](C)CO)c(N3CCC(O)CC3)nc2c1 ZINC000012121786 ED Annotated Anodyne Cc1ccc2cc(CN[C@H](C)CO)c(N3CCC(O)CC3)nc2c1 ZINC000012121789 ED Annotated Anodyne Cc1ccccc1N1C(=O)CN(C(=O)c2cc3ncccn3n2)C[C@H]1C ZINC000012155610 ED Annotated Anodyne Cc1ccccc1N1C(=O)CN(C(=O)c2cc3ncccn3n2)C[C@@H]1C ZINC000012155616 ED Annotated Anodyne Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Cn2cnnn2)c1C ZINC000012202224 ED Annotated Anodyne Cc1ccccc1-n1ncc([C@H](C)NC(=O)Cn2cnnn2)c1C ZINC000012202228 ED Annotated Anodyne COC(=O)CCC(=O)N1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000012209605 ED Annotated Anodyne COC(=O)CCC(=O)N1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000012209611 ED Annotated Anodyne C=CCNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 ZINC000012278525 ED Annotated Mild C=CCNC(=O)[C@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 ZINC000012278527 ED Annotated Mild CN(Cc1ccon1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012298752 ED Annotated Anodyne CN(Cc1ccon1)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012298753 ED Annotated Anodyne CN1CCC[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000012301230 ED Annotated Anodyne CN1CCC[C@]2(CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)C2)C1=O ZINC000012301232 ED Annotated Anodyne c1cn2cc(CNc3nc4nonc4nc3N3CCCC3)nc2s1 ZINC000012301395 ED Annotated Anodyne Cc1c([C@@H](C)NC(=O)CCN2CCCC2=O)cnn1-c1ccccn1 ZINC000012304493 ED Annotated Anodyne Cc1c([C@H](C)NC(=O)CCN2CCCC2=O)cnn1-c1ccccn1 ZINC000012304494 ED Annotated Anodyne CC(C)c1nccn1Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)n[nH]1 ZINC000012304953 ED Annotated Anodyne CC(C)c1nccn1Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)n[nH]1 ZINC000012304957 ED Annotated Anodyne CC(C)N1CCC(N2CCC[C@@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000012305822 ED Annotated Anodyne CC(C)N1CCC(N2CCC[C@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000012305824 ED Annotated Anodyne COCCn1c(CN2CCCO2)cnc1S(=O)(=O)CC(C)(C)C ZINC000012306761 ED Annotated Anodyne CC(=O)NCCC(=O)NCc1cccnc1Oc1ccc(C)nc1 ZINC000012307559 ED Annotated Anodyne O=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)C(=O)c1ccco1 ZINC000012315954 ED Annotated Anodyne O=C(N[C@H]1CC(=O)N(CCCc2ccccc2)C1)C(=O)c1ccco1 ZINC000012315955 ED Annotated Anodyne CC(C)Cc1cc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)n[nH]1 ZINC000012317327 ED Annotated Anodyne O=C(NC[C@@H]1COCCO1)c1cc(COc2ccccc2F)[nH]n1 ZINC000012317717 ED Annotated Anodyne O=C(NC[C@H]1COCCO1)c1cc(COc2ccccc2F)[nH]n1 ZINC000012317718 ED Annotated Anodyne CC[C@H]1C(=O)NCCN1C(=O)c1cc(COc2ccc(C)nc2)on1 ZINC000012318838 ED Annotated Anodyne CC[C@@H]1C(=O)NCCN1C(=O)c1cc(COc2ccc(C)nc2)on1 ZINC000012318840 ED Annotated Anodyne CS(=O)(=O)Cc1nc(NC(=O)NOc2ccccc2)cs1 ZINC000012354805 ED Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(C)o2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377538 ED Annotated Anodyne CC(=O)[C@H]1[C@@H](c2ccc(F)c(F)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377555 ED Annotated Anodyne CC(=O)[C@H]1[C@H](c2ccc(F)c(F)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377557 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000012378047 ED Annotated Anodyne COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1/C=C/c1ccccc1 ZINC000012384283 ED Annotated Anodyne CC(C)Cn1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1 ZINC000012405546 ED Annotated Anodyne Cc1cccc(C)c1OCc1cc(C(=O)N2CCNC(=O)C2)no1 ZINC000012429493 ED Annotated Anodyne Cc1cc(C)c(C(=O)N2CCC[C@@H](CNS(=O)(=O)N(C)C)C2)o1 ZINC000012431576 ED Annotated Anodyne Cc1cc(C)c(C(=O)N2CCC[C@H](CNS(=O)(=O)N(C)C)C2)o1 ZINC000012431577 ED Annotated Anodyne COc1ccc(OC[C@@H](O)CN(C)C)c(CNCc2cnn(C)c2)c1 ZINC000012431963 ED Annotated Anodyne COc1ccc(OC[C@H](O)CN(C)C)c(CNCc2cnn(C)c2)c1 ZINC000012431964 ED Annotated Anodyne Cc1cc(C)n(Cc2cc(C(=O)N3CCN4CCC[C@@H]4C3)n[nH]2)n1 ZINC000012432020 ED Annotated Anodyne Cc1cc(C)n(Cc2cc(C(=O)N3CCN4CCC[C@H]4C3)n[nH]2)n1 ZINC000012432021 ED Annotated Anodyne Cc1cnc(CNC(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)cn1 ZINC000012433803 ED Annotated Anodyne CSCCNCc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 ZINC000012433916 ED Annotated Anodyne CN(c1nc2nonc2nc1NCc1ccccc1)[C@@H]1CCOC1 ZINC000012439583 ED Annotated Anodyne CN(c1nc2nonc2nc1NCc1ccccc1)[C@H]1CCOC1 ZINC000012439584 ED Annotated Anodyne CCn1nc(C)c(CN2CC[C@@]3(CCCN(CCOC)C3=O)C2)c1C ZINC000012439616 ED Annotated Anodyne CCn1nc(C)c(CN2CC[C@]3(CCCN(CCOC)C3=O)C2)c1C ZINC000012439617 ED Annotated Anodyne CCS(=O)(=O)c1ncc(CN2CCCCCC2)n1CCOC ZINC000012440254 ED Annotated Anodyne COC[C@@H]1OS(=O)(=O)N[C@@H](CC(=O)SC(C)(C)C)[C@@H]1C ZINC000012472475 ED Annotated Anodyne COC[C@H]1OS(=O)(=O)N[C@@H](CC(=O)SC(C)(C)C)[C@@H]1C ZINC000012472478 ED Annotated Anodyne COC[C@@H]1OS(=O)(=O)N[C@H](CC(=O)SC(C)(C)C)[C@@H]1C ZINC000012472483 ED Annotated Anodyne COC[C@H]1OS(=O)(=O)N[C@H](CC(=O)SC(C)(C)C)[C@@H]1C ZINC000012472487 ED Annotated Anodyne CC1(C)CN(S(=O)(=O)OCC(Cl)(Cl)Cl)C(=O)N1 ZINC000012472621 ED Annotated Anodyne CC[C@@]1(C)CN(S(=O)(=O)OCC(Cl)(Cl)Cl)C(=O)N1 ZINC000012472683 ED Annotated Anodyne CC[C@]1(C)CN(S(=O)(=O)OCC(Cl)(Cl)Cl)C(=O)N1 ZINC000012472690 ED Annotated Anodyne CC1(C)OC(=O)C=C(C[C@@H]2NS(=O)(=O)O[C@@H]3CCCC[C@@H]23)O1 ZINC000012472714 ED Annotated Anodyne CC1(C)OC(=O)C=C(C[C@H]2NS(=O)(=O)O[C@@H]3CCCC[C@@H]23)O1 ZINC000012472722 ED Annotated Anodyne CC1(C)OC(=O)C=C(C[C@@H]2NS(=O)(=O)O[C@H]3CCCC[C@@H]23)O1 ZINC000012472727 ED Annotated Anodyne CC1(C)OC(=O)C=C(C[C@H]2NS(=O)(=O)O[C@H]3CCCC[C@H]32)O1 ZINC000012472731 ED Annotated Anodyne CC(C)C[C@@H](CO)N1CCN(Cc2cccc(C#N)c2)CCC1=O ZINC000012474534 ED Annotated Mild O=C1CCN(Cc2cccnc2)CCN1[C@H](CO)Cc1ccccc1 ZINC000012474632 ED Annotated Anodyne O=C1CCN(Cc2cccnc2)CCN1[C@H](CO)c1ccccc1 ZINC000012474714 ED Annotated Anodyne COc1cc(-c2noc(C)c2C(=O)NCCO)cc(OC)c1OC ZINC000012474736 ED Annotated Anodyne COC1=CC=C/C(=C\NN(C)C2=NS(=O)(=O)c3ccccc32)C1=O ZINC000012475161 ED Annotated Mild Cc1ccc(NC(=O)CCC(=O)NN/C=C2\C=CC=CC2=O)cc1 ZINC000012475174 ED Annotated Reactive COC1=C/C(=C\NNC(=S)NCCc2ccccc2)C(=O)C=C1 ZINC000012475200 ED Annotated Mild CCCOC(=O)[C@@H]1NC(=O)N2[C@@H](C(=O)OCCC)C(C)(C)S[C@H]12 ZINC000012478745 ED Annotated Anodyne CCCOC(=O)[C@@H]1N2C(=O)N[C@H](C(=O)OCCC)[C@H]2SC1(C)C ZINC000012478753 ED Annotated Anodyne CCCOC(=O)[C@@H]1NC(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)OCCC ZINC000012478757 ED Annotated Anodyne CCCOC(=O)[C@H]1NC(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)OCCC ZINC000012478761 ED Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000012479657 ED Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N2CCNC(=O)C2)no1 ZINC000012480895 ED Annotated Anodyne O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCCCCC2)CCC1=O ZINC000012481196 ED Annotated Anodyne O=C1CCCN1CCCN1C[C@H](C(=O)N2CCCCCC2)CCC1=O ZINC000012481205 ED Annotated Anodyne C#CCNC(=O)C1=C[C@@H](c2ccccc2)C[C@@H](OCCCCO)O1 ZINC000012482483 ED Annotated Mild CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000012496157 ED Annotated Anodyne CCN1C(=O)[C@H]2[C@H](c3cccc(F)c3)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O ZINC000012496282 ED Annotated Anodyne COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(S(C)(=O)=O)c1 ZINC000012503001 ED Annotated Anodyne in-vivo CSCC[C@@H](N)C1=N/C(=C\c2ccc(O)cc2)C(=O)N1CC=O ZINC000012503548 ED Annotated Mild in-vivo CC[C@@H](CO)[C@@H]1C[C@H]2N[C@@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@@H](O)[C@H]13 ZINC000012509695 ED Annotated Anodyne CC[C@@H](CO)[C@H]1C[C@H]2N[C@@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@@H](O)[C@@H]31 ZINC000012509704 ED Annotated Anodyne Cc1cc(C)n2nc(S[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)nc2n1 ZINC000012542368 ED Annotated Anodyne CCn1nc(C)c(CNC(=O)c2cn(C[C@@H]3CCCO3)nn2)c1C ZINC000012584988 ED Annotated Anodyne CCn1nc(C)c(CNC(=O)c2cn(C[C@H]3CCCO3)nn2)c1C ZINC000012584996 ED Annotated Anodyne Cc1cc(C(=O)NC[C@@H]2CCCN(CCCn3cccn3)C2)no1 ZINC000012587983 ED Annotated Anodyne COCCN1CCC[C@@]2(CCN(C(=O)Cc3cccs3)C2)C1=O ZINC000012587987 ED Annotated Anodyne Cc1cc(C(=O)NC[C@H]2CCCN(CCCn3cccn3)C2)no1 ZINC000012587989 ED Annotated Anodyne COCCN1CCC[C@]2(CCN(C(=O)Cc3cccs3)C2)C1=O ZINC000012587993 ED Annotated Anodyne CC1=C(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)OCCO1 ZINC000012589179 ED Annotated Anodyne CC1=C(C(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)OCCO1 ZINC000012589186 ED Annotated Anodyne CC(C)[C@H](NC(=O)c1cn(C/C=C/c2ccccc2)nn1)C(N)=O ZINC000012591879 ED Annotated Anodyne COc1ccc(-c2cnnc(NCCN3CCC[C@@H](O)C3)n2)cc1 ZINC000012596460 ED Annotated Anodyne COc1ccc(-c2cnnc(NCCN3CCC[C@H](O)C3)n2)cc1 ZINC000012596463 ED Annotated Anodyne COc1ccc(CN2CCCO2)cc1OC[C@@H](O)CN(C)C(C)C ZINC000012596900 ED Annotated Anodyne COc1ccc(CN2CCCO2)cc1OC[C@H](O)CN(C)C(C)C ZINC000012596904 ED Annotated Anodyne COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000012631890 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccco1 ZINC000012660824 ED Annotated Anodyne Cc1ccnc2nc(C(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)nn12 ZINC000012697715 ED Annotated Anodyne Cc1ccnc2nc(C(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@H]3C)nn12 ZINC000012697720 ED Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3cnccn3)no2)C1 ZINC000012705692 ED Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cnccn3)no2)C1 ZINC000012705699 ED Annotated Anodyne CCN1CCN(C(=O)CCC2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000012706539 ED Annotated Anodyne CCN1CCN(C(=O)CCC2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000012706544 ED Annotated Anodyne CCN1C[C@@H](CN(C)Cc2nc(COc3ccccc3)no2)CC1=O ZINC000012711289 ED Annotated Anodyne CCN1C[C@H](CN(C)Cc2nc(COc3ccccc3)no2)CC1=O ZINC000012711292 ED Annotated Anodyne CCOC(=O)CCNC(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC000012711961 ED Annotated Anodyne CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)c1C ZINC000012712350 ED Annotated Anodyne CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)c1C ZINC000012712354 ED Annotated Anodyne O[C@@H]1CN(Cc2cccn2-c2nccs2)CC[C@H]1N1CCOCC1 ZINC000012713726 ED Annotated Anodyne O=C(NCc1ccon1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012715064 ED Annotated Anodyne O=C(NCc1ccon1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012715068 ED Annotated Anodyne C=CCOc1cccc(C=NNC(=O)C(=O)NCc2ccco2)c1 ZINC000012730507 ED Annotated Anodyne aggregator CC(C)(C)NC(=O)C(=O)NN=Cc1ccc(Br)cc1 ZINC000012730701 ED Annotated Anodyne aggregator CC1(C)C[C@@H](Nc2nc3nonc3nc2N2CCOCC2)CCO1 ZINC000012746679 ED Annotated Anodyne CC1(C)C[C@H](Nc2nc3nonc3nc2N2CCOCC2)CCO1 ZINC000012746685 ED Annotated Anodyne Cc1cn2c(/C=N/N=C(N)N)c(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000013005172 ED Annotated Mild Cc1csc2nc(-c3cccc([N+](=O)[O-])c3)c(/C=N/N=C(N)N)n12 ZINC000013005175 ED Annotated Mild Cc1csc2nc(-c3ccc([N+](=O)[O-])cc3)c(/C=N/N=C(N)N)n12 ZINC000013005176 ED Annotated Mild O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccccc2[nH]1 ZINC000013082872 ED Annotated Anodyne COC(=O)c1ccccc1NC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1 ZINC000013110811 ED Annotated Mild Cc1oc(/C=N\NC(=O)CC2(C)OCCO2)cc1Br ZINC000013111242 ED Annotated Reactive O=C(N/N=C\c1ccco1)c1ccc(C(=O)N/N=C\c2ccco2)o1 ZINC000013111580 ED Annotated Reactive O=C(N/N=C\c1ccco1)c1ccc(C(=O)N/N=C/c2ccco2)o1 ZINC000013111582 ED Annotated Reactive O=[N+]([O-])c1cc2c(cc1/C=N\NS(=O)(=O)c1ccccc1)OCO2 ZINC000013111597 ED Annotated Mild Cc1cc(C)n2[nH]c(=O)c(/N=N\c3ccc(S(N)(=O)=O)cc3)c2n1 ZINC000013116641 ED Annotated Clean O=C1Nn2c(nc3c(c2=O)CCCC3)/C1=N/Nc1cccc(Cl)c1 ZINC000013116662 ED Annotated Mild O=C1Nn2c(nc3c(c2=O)CCC3)/C1=N\Nc1cccc(Cl)c1 ZINC000013116665 ED Annotated Mild COC(=O)CCCC[C@H]1SC[C@H](NC(=O)OC)[C@@H]1NC(=O)OC ZINC000013116839 ED Annotated Anodyne O=C1CN(O)C(c2ccccc2)=c2cc(Br)ccc2=N1 ZINC000013118184 ED Annotated Anodyne COc1ccc([C@@H]2C[C@]3(O)NC(=O)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)cc1 ZINC000013118665 ED Annotated Mild COc1ccc([C@H]2C[C@]3(O)NC(=O)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)cc1 ZINC000013118666 ED Annotated Mild Cc1ccnn1CC(=O)NN/C=C1\C=NN=C1c1ccc(F)cc1 ZINC000013118945 ED Annotated Reactive CCOC1=C/C(=C/NNC(=O)CCn2nc(C)cc2C)C=CC1=O ZINC000013118955 ED Annotated Reactive COC1=C/C(=C/NNC(=O)/C(=C/c2ccccc2)CCO)C=CC1=O ZINC000013119102 ED Annotated Reactive Cc1cc(NN/C=C2\C=CC(=O)C=C2O)nc(N2CCOCC2)n1 ZINC000013119161 ED Annotated Mild O=C1C=C/C(=C\NNC(=O)/C(=C/c2ccccc2)CCO)C(O)=C1 ZINC000013119168 ED Annotated Reactive COC1=CC=C/C(=C\Nn2c(-c3cc(C)[nH]n3)n[nH]c2=S)C1=O ZINC000013119342 ED Annotated Mild COC1=C/C(=C/Nn2c(-c3cc(C)[nH]n3)n[nH]c2=S)C=CC1=O ZINC000013119596 ED Annotated Mild COC(=O)c1ccc(NN/C=C2\C=C([N+](=O)[O-])C=C(OC)C2=O)cc1 ZINC000013120253 ED Annotated Mild COC1=CC(=CNNC(=S)Nc2cccnc2)C=C(OC)C1=O ZINC000013120343 ED Annotated Mild COc1ccc(OC)c2[nH]c(C(=O)NN/C=C3\C=CC=CC3=O)cc12 ZINC000013120392 ED Annotated Reactive COc1cc(OC)c2cc(C(=O)NN/C=C3\C=CC=CC3=O)[nH]c2c1 ZINC000013120398 ED Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(NNC=C2C=CC(=O)C=C2)nc1 ZINC000013120421 ED Annotated Mild COC1=CC(=CNn2c(C)nc3ccccc3c2=O)C=C(OC)C1=O ZINC000013120494 ED Annotated Mild O=C(CNC(=O)c1cccs1)NN/C=C1\C=Nc2ccccc21 ZINC000013120543 ED Annotated Reactive O=C1C=CC(=CNNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C=C1 ZINC000013120601 ED Annotated Reactive COC1=C/C(=C/NNC(=O)c2sc(N)c(C#N)c2C)C=CC1=O ZINC000013121702 ED Annotated Reactive O=C(CON/C=C1\C=CC=CC1=O)NNC(=O)c1ccccc1Cl ZINC000013122186 ED Annotated Reactive COC1=C/C(=C/NNC(=O)[C@@H](C)n2nnc3ccccc32)C=CC1=O ZINC000013122190 ED Annotated Reactive COC1=C/C(=C/NNC(=O)[C@H](C)n2nnc3ccccc32)C=CC1=O ZINC000013122191 ED Annotated Reactive CCN(CC)C1=CC(=O)/C(=C/NNC(=O)c2c(Cl)cnn2C)C=C1 ZINC000013122354 ED Annotated Reactive COC1=CC=C/C(=C\NNc2nc3ccccc3n3cnnc23)C1=O ZINC000013122504 ED Annotated Mild CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN/C=C1\C=CC(=O)C=C1O)OC2=O ZINC000013122525 ED Annotated Reactive CC1(C)[C@]2(C(=O)NN/C=C3\C=CC(=O)C=C3O)CC[C@@]1(C)C(=O)O2 ZINC000013122526 ED Annotated Reactive O=C(CCC(=O)Nc1ccc(F)cc1)NN/C=C1\C=CC=CC1=O ZINC000013122652 ED Annotated Reactive O=C1C=CC(Br)=C/C1=C\NN1C(=O)CSC1=S ZINC000013122798 ED Annotated Mild Cc1ccc(S(=O)(=O)NN/C=C2\C=CC=CC2=O)cc1[N+](=O)[O-] ZINC000013123079 ED Annotated Mild COC1=C/C(=C\NNC(=S)NCc2ccc(OC)cc2)C=CC1=O ZINC000013123218 ED Annotated Mild CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccn2)n2nnnc2N1 ZINC000013123598 ED Annotated Anodyne CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccn2)n2nnnc2N1 ZINC000013123599 ED Annotated Anodyne COC1=CC=C/C(=C\NNC(=O)c2cc(-c3cccn3C)n[nH]2)C1=O ZINC000013124112 ED Annotated Reactive O=C1C=CC(=CNNC(=O)CCNC(=O)c2ccccc2Cl)C=C1 ZINC000013124207 ED Annotated Reactive CC(C)=C(NC(=O)c1ccccc1)C(=O)NNC=C1C=CC(=O)C=C1 ZINC000013124216 ED Annotated Reactive CCOC1=C/C(=C/NNC(=O)[C@@H](OC)c2ccccc2)C=CC1=O ZINC000013124277 ED Annotated Reactive CCOC1=C/C(=C/NNC(=O)[C@H](OC)c2ccccc2)C=CC1=O ZINC000013124278 ED Annotated Reactive Cc1nc(NN/C=C2\C=CC(=O)C=C2O)cc(N2CCOCC2)n1 ZINC000013124358 ED Annotated Mild Cc1cc(C)nc(SCC2=NC(N)=N/C(=C3/C=CC=CC3=O)N2)n1 ZINC000013124720 ED Annotated Mild O=C(CNC(=O)c1ccccc1)NN/C=C1\C=NN=C1c1ccccc1 ZINC000013124968 ED Annotated Reactive CCOC1=C/C(=C/NNC(=O)c2c(C)nc3ccccn23)C=CC1=O ZINC000013125058 ED Annotated Reactive COC1=C/C(=C/NNc2nnc3c(n2)[nH]c2ccccc23)C=CC1=O ZINC000013125068 ED Annotated Mild O=C(NNC1=C2N=c3ccc(Cl)cc3=C2CCC1)c1ccncc1 ZINC000013125096 ED Annotated Reactive O=C(NNC1=C2N=c3ccc([N+](=O)[O-])cc3=C2CCC1)c1ccncc1 ZINC000013125745 ED Annotated Reactive COc1ccc(C(=O)NN/C=C2\C=c3ccccc3=NC2=S)cc1 ZINC000013125973 ED Annotated Reactive CCOC(=O)c1c(C)[nH]c(C(=O)NN/C=C2\C=CC=CC2=O)c1C ZINC000013126207 ED Annotated Reactive O=C1C=C/C(=C\NNC(=O)CN2CCCc3ccccc32)C(O)=C1 ZINC000013126243 ED Annotated Reactive CSc1nc(C)cc(OCC(=O)NN/C=C2\C=CC=CC2=O)n1 ZINC000013126371 ED Annotated Reactive O=C1C=Cc2c/c(=C3\NC4=C(CCc5ccccc54)S3)c(=O)oc2=C1 ZINC000013126463 ED Annotated Mild Cc1ccc(C(=O)NN/C=C2\C=C(Br)C=CC2=O)cn1 ZINC000013126476 ED Annotated Reactive Cc1cc(C)n(N/C=C2\C(=O)C=Cc3ccccc32)c(=O)c1C(N)=O ZINC000013126606 ED Annotated Mild COC1=CC=C/C(=C\NN2CCN(Cc3ccccc3)CC2)C1=O ZINC000013126797 ED Annotated Mild Cc1nc2ccc(C(=O)NN/C=C3\C=C([N+](=O)[O-])C=CC3=O)cc2[nH]1 ZINC000013126875 ED Annotated Reactive Cc1ccc(OCC(=O)NNC=C2C=CC(=O)C=C2)c([N+](=O)[O-])c1 ZINC000013126918 ED Annotated Reactive O=C(CCC(=O)NN/C=C1\C=CC=CC1=O)NCc1ccccc1 ZINC000013130133 ED Annotated Reactive COC1=C/C(=C/Nn2c(SC)nnc(C(C)(C)C)c2=O)C=CC1=O ZINC000013130455 ED Annotated Mild O=C1C=CC(=CNNC2=NC(=O)[C@@H](Cc3ccccc3)S2)C=C1 ZINC000013130567 ED Annotated Mild O=C1C=CC(=CNNC2=NC(=O)[C@H](Cc3ccccc3)S2)C=C1 ZINC000013130569 ED Annotated Mild COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1/C=C/c1ccccc1 ZINC000013131090 ED Annotated Anodyne C[C@H]1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C[C@@H](C)O1 ZINC000013131192 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccn1 ZINC000013131551 ED Annotated Anodyne O=C(CNC(=O)c1ccc(Br)cc1)NN/C=C1/C=CC=N1 ZINC000013132526 ED Annotated Reactive O=C(CNC(=O)c1cccc(Br)c1)NN/C=C1/C=CC=N1 ZINC000013132527 ED Annotated Reactive Cc1ccc(CN(/N=N\c2nonc2N)c2nonc2N)c(C)c1 ZINC000013132772 ED Annotated Clean CCOC(=O)[C@H]1[C@@H](c2ccccc2O)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000013133156 ED Annotated Clean C[C@H]1CN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)C[C@@H](C)O1 ZINC000013136222 ED Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)Cl ZINC000013146775 ED Annotated Anodyne COC(=O)[C@H]1[C@@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)Cl ZINC000013146776 ED Annotated Anodyne COC(=O)[C@H]1[C@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)Cl ZINC000013146777 ED Annotated Anodyne Cc1nnc(NC(=O)N[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000013147326 ED Annotated Anodyne Cc1nnc(NC(=O)N[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000013147327 ED Annotated Anodyne COc1ccc(-n2c(=O)cc(N3C[C@H](C)O[C@H](C)C3)[nH]c2=O)cc1 ZINC000013147389 ED Annotated Anodyne CCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000013147481 ED Annotated Anodyne CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000013147482 ED Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NNC(N)=S)C1=O ZINC000013151918 ED Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NNC(N)=O)C1=O ZINC000013151919 ED Annotated Reactive CN(C)N=Nc1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)O)cc1 ZINC000013151967 ED Annotated Anodyne C[C@]1(C(=O)O)[C@@H](C(=O)NNC(=O)Cc2ccccc2)[C@@H]2C=C[C@H]1C2 ZINC000013152845 ED Annotated Reactive C[C@@]1(C(=O)O)[C@@H](C(=O)NNC(=O)Cc2ccccc2)[C@@H]2C=C[C@H]1C2 ZINC000013152846 ED Annotated Reactive O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@H]1C(=O)N1c2ccccc2[C@H]2OCC[C@H]2[C@H]13 ZINC000013153430 ED Annotated Anodyne O=C(O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@H]1C(=O)N1c2ccccc2[C@H]2OCC[C@H]2[C@H]13 ZINC000013153431 ED Annotated Anodyne O=C(O)[C@H]1Nc2c(C(=O)N3CCOCC3)cccc2[C@@H]2C=CC[C@@H]12 ZINC000013154578 ED Annotated Clean CCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000013215447 ED Annotated Mild NC(N)=N/N=C/c1c(-c2ccccc2[N+](=O)[O-])nc2sccn12 ZINC000013219897 ED Annotated Mild NC(N)=N/N=C/c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 ZINC000013219899 ED Annotated Mild NC(N)=N/N=C/c1c(-c2ccc([N+](=O)[O-])cc2)nc2n1CCS2 ZINC000013219901 ED Annotated Mild COC(=O)/C=C/c1cnc2c(c1)oc(=O)n2CCc1ccccn1 ZINC000013223218 ED Annotated Anodyne COc1c2c(cc3c1OCO3)[C@@]13C=C[C@H](OC)C[C@@H]1N(C2)C[C@H]3O ZINC000013298261 ED Annotated Anodyne COc1c2c(cc3c1OCO3)[C@@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@H]3O ZINC000013298262 ED Annotated Anodyne CC1=C(C)[C@@H]2[C@@H](O)[C@@H](O)C3=C(C(=O)[C@H](O)[C@]4(C[C@H]4C)C3=O)[C@@]2(C)CC1 ZINC000013299421 ED Annotated Mild in-vitro biogenic C/C=C1/CN2[C@@H]3Cc4c([nH]c5ccc(O)cc45)[C@]2(O)C[C@@H]1[C@@H]3CO ZINC000013304253 ED Annotated Anodyne COc1c(OC)c(C(C)=O)c(OC)c2c1OC(C)(C)[C@H](O)[C@H]2O ZINC000013307062 ED Annotated Anodyne CO[C@H](C)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000013307119 ED Annotated Clean CC(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(O)c(O)c1C2=O ZINC000013307175 ED Annotated Clean C/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)C[C@H](O)Cc1cc(O)cc(=O)o1 ZINC000013307627 ED Annotated Anodyne COC1=C(Br)[C@H]2OC(=O)C[C@]2(O)C=C1Br ZINC000013308579 ED Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C[C@H](O)O[C@@H]1O2 ZINC000013308642 ED Annotated Anodyne in-man biogenic COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C[C@@H](O)O[C@@H]1O2 ZINC000013308644 ED Annotated Anodyne in-man biogenic COc1cc2c(c3oc(=O)c4c(c13)C[C@@H](O)C4=O)[C@@H]1C=CO[C@@H]1O2 ZINC000013308665 ED Annotated Anodyne in-man COc1cc2c(c3oc(=O)c4c(c13)C[C@@H](O)C4=O)[C@H]1C=CO[C@@H]1O2 ZINC000013308669 ED Annotated Anodyne in-man COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H]([C@@H](C)O)[C@@H]1C[C@H]23 ZINC000013309622 ED Annotated Anodyne OC/C=C\c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2 ZINC000013312774 ED Annotated Clean in-man OC/C=C\c1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 ZINC000013312776 ED Annotated Clean in-man OC/C=C\c1ccc2c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000013312777 ED Annotated Clean in-man OC/C=C\c1ccc2c(c1)O[C@@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000013312779 ED Annotated Clean in-man C=C(CO)C(=O)OC/C1=C\C[C@@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C\CC1 ZINC000013324802 ED Annotated Mild C=C1C[C@H](OC(=O)[C@@H](C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000013326226 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000013326397 ED Annotated Mild in-man C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000013326399 ED Annotated Mild in-man C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12 ZINC000013326401 ED Annotated Mild in-man C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12 ZINC000013326403 ED Annotated Mild in-man CC(=O)O[C@@H](CCC(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000013335200 ED Annotated Mild C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C/C(C)=C\C(=O)[C@@H](O)CC(=O)C1)[C@H]2O ZINC000013335634 ED Annotated Mild C=C(C)C(=O)O[C@@H]1/C=C(/C=O)CCCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000013338008 ED Annotated Reactive in-vivo C=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@@H]2C=CC(=O)[C@@]21C ZINC000013339185 ED Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@H]2C=CC(=O)[C@]12C ZINC000013339188 ED Annotated Mild C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C(=O)C=CC(C)(C)[C@H]1CO ZINC000013339272 ED Annotated Mild in-vitro biogenic C[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C(=O)C=CC(C)(C)[C@H]1CO ZINC000013339273 ED Annotated Mild COC1=C[C@@]23CCN(C)[C@@H](Cc4cc5c(cc42)OCO5)C3=CC1=O ZINC000013358815 ED Annotated Mild COC1=C[C@@]23CCN(C)[C@@H](Cc4cc5c(cc42)OCO5)C3=C[C@H]1O ZINC000013358820 ED Annotated Anodyne O=C(O)CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12 ZINC000013362860 ED Annotated Anodyne COc1c(O)cc2c(c1OC)CCN1C(=O)C3(C=CC(=O)C=C3)C[C@H]21 ZINC000013365971 ED Annotated Mild O=C1OCc2c1c(CO)c(O)c1c2C(=O)c2c(O)cccc2C1=O ZINC000013371956 ED Annotated Clean Cc1cc(O)c2c(=O)c(=O)c(=O)c3c(O)c4c(c1c23)O[C@@H](C)C4(C)C ZINC000013374241 ED Annotated Anodyne Cc1cc(O)c2c(=O)c(=O)c(=O)c3c(O)c4c(c1c23)O[C@H](C)C4(C)C ZINC000013374242 ED Annotated Anodyne O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@@]1(O)C=CO[C@H]1O3 ZINC000013374589 ED Annotated Bother O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@@]1(O)CCO[C@H]1O3 ZINC000013374596 ED Annotated Bother Cc1cc(O)c(C=O)c(O)c1C(=O)OCc1cc(O)c(C=O)c(O)c1 ZINC000013375598 ED Annotated Anodyne O=C1c2cc3c(c(O)c2C(=O)c2c(O)ccc(O)c21)[C@@H]1C=CO[C@@H]1O3 ZINC000013377816 ED Annotated Clean COC(=O)[C@]12Oc3cccc(O)c3C(=O)C1=C(O)OC=C(C)C2=O ZINC000013379217 ED Annotated Mild COC(=O)[C@]12Oc3cccc(O)c3C(=O)C1=C(OC)OC=C(C)C2=O ZINC000013379219 ED Annotated Mild O=C(CCCCO)CCCCCCCCC1=N[C@H](CO)[C@@H](O)[C@@H]1O ZINC000013379959 ED Annotated Anodyne O=C(CCCO)CCCCCCCCCC1=N[C@H](CO)[C@@H](O)[C@@H]1O ZINC000013380007 ED Annotated Anodyne in-vitro biogenic COC1=CC(=O)C=C(OC)C1(OC)c1cc(OC)c(O)c(OC)c1 ZINC000013383920 ED Annotated Mild in-vitro biogenic COC1=C[C@]23CCC[N+]2([O-])CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 ZINC000013385010 ED Annotated Bother in-vitro biogenic COC1=C[C@]23CCC[N+]2([O-])C[C@H](O)c2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 ZINC000013385016 ED Annotated Bother in-vitro biogenic COC1=C[C@]23CCC(=O)N2CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 ZINC000013385020 ED Annotated Anodyne O[C@@H]1Cc2cc3c(cc2[C@@H]2NCc4c(ccc5c4OCO5)[C@H]12)OCO3 ZINC000013385540 ED Annotated Anodyne CC(=O)OCc1cccc2oc3cc(=O)c(N)c(C(=O)O)c-3nc12 ZINC000013397165 ED Annotated Bother O=C(O)[C@H](CSSc1cccc[n+]1[O-])NC1=[N+]([O-])CCCC1 ZINC000013408487 ED Annotated Reactive COC(=O)[C@]1(OC)c2c(n(C)c3ccccc3c2=O)C1(OC)OC ZINC000013429387 ED Annotated Anodyne in-vitro biogenic COC(=O)[C@@]1(OC)c2c(n(C)c3ccccc3c2=O)C1(OC)OC ZINC000013429389 ED Annotated Anodyne in-vitro biogenic CS[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](O)(C(C)C)NC1=O ZINC000013430486 ED Annotated Anodyne CS[C@@]1(C(C)C)NC(=O)[C@](O)(Cc2c[nH]c3ccccc23)NC1=O ZINC000013430494 ED Annotated Anodyne CC(C)C/C=C/C=C/C(=O)NC1=C[C@](O)(CCC(N)=O)C=CC1=O ZINC000013431915 ED Annotated Mild in-vitro CC(C)C/C=C/C=C/C(=O)NC1=C[C@@](O)(CCC(N)=O)C=CC1=O ZINC000013431917 ED Annotated Mild in-vitro O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](O)C=C[C@H]2O ZINC000013433742 ED Annotated Mild O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1 ZINC000013434317 ED Annotated Clean COC1=C(OC)[C@]23CCc4cc5c(cc4[C@]2(CCN3)CC1=O)OCO5 ZINC000013434494 ED Annotated Mild COc1cc(O)c2c(O)c3c(cc2c1)C[C@](O)(C[C@H](C)O)CC3=O ZINC000013436838 ED Annotated Anodyne CCSC(SCC)[C@H](CC[C@H](O)CNC(C)=O)NC(C)=O ZINC000013438936 ED Annotated Anodyne O=C(O)CCNC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2 ZINC000013440560 ED Annotated Anodyne O=C(O)CCCNC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2 ZINC000013440562 ED Annotated Anodyne COc1ccc(N2CN(C=O)c3ccc(OC)cc3C2=O)c(CO)c1 ZINC000013452433 ED Annotated Anodyne in-man COc1c(Cl)cc2c(c1Cl)NC(=O)N(C)[C@@]21NC(=O)NC1=O ZINC000013456047 ED Annotated Anodyne COc1c(Cl)cc2c(c1Cl)NC(=O)N(C)[C@]21NC(=O)NC1=O ZINC000013456050 ED Annotated Anodyne CCc1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470432 ED Annotated Mild COc1ccc2c(c1)CCC1(CCN(CCN3CCNC3=O)CC1)O2 ZINC000013472080 ED Annotated Anodyne O=C(O)c1cc2c3cc(-n4cnnc4)c(Cl)cc3[nH]c(=O)n2n1 ZINC000013472584 ED Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(S(N)(=O)=O)ccc2O1 ZINC000013472632 ED Annotated Anodyne CNS(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 ZINC000013472633 ED Annotated Anodyne C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(C)c1=O ZINC000013473644 ED Annotated Reactive C=CCOc1ccc(C2=N[C@@H](C(=O)NO)CO2)cc1OC(F)(F)F ZINC000013474881 ED Annotated Mild COc1c(F)cc(C2=N[C@@H](C(=O)NO)CO2)cc1Br ZINC000013474906 ED Annotated Anodyne COc1c(F)cc(C2=N[C@H](C(=O)NO)CO2)cc1Br ZINC000013474907 ED Annotated Anodyne C=CCOc1ccc(C2=N[C@H](C(=O)NO)CO2)cc1C(F)(F)F ZINC000013474917 ED Annotated Mild C=CCOc1ccc(C2=N[C@@H](C(=O)NO)CO2)cc1C(F)(F)F ZINC000013474918 ED Annotated Mild C#CCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O ZINC000013475107 ED Annotated Mild CC[C@H](C)[C@@H](C(=O)N1CCNCC1)n1cc([C@@H](N)CC(C)C)nn1 ZINC000013478095 ED Annotated Anodyne O=C(O)CNC(=O)[C@@H]1CSc2ncc3c4ccccc4nc-3n21 ZINC000013480431 ED Annotated Anodyne in-man O=C(O)CNC(=O)[C@H]1CSc2ncc3c4ccccc4nc-3n21 ZINC000013480432 ED Annotated Anodyne in-man COc1c(O)cc2c(c1O)C(=O)[C@H](Cc1ccc(O)c(O)c1)CO2 ZINC000013481954 ED Annotated Clean COc1c(O)cc2c(c1O)C(=O)[C@@H](Cc1ccc(O)c(O)c1)CO2 ZINC000013481955 ED Annotated Clean COc1cc(O)c2c(c1O)OC[C@H](Cc1ccc(O)c(O)c1)C2=O ZINC000013481964 ED Annotated Clean COc1cc(O)c2c(c1O)OC[C@@H](Cc1ccc(O)c(O)c1)C2=O ZINC000013481965 ED Annotated Clean CCOC(=O)C(=O)/N=c1\cc(C)[nH]c(N2CCc3ccccc3C2)c1 ZINC000013488075 ED Annotated Anodyne O=C(OC[C@@H]1CCOC1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000013492631 ED Annotated Anodyne O=C(OC[C@H]1CCOC1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000013492632 ED Annotated Anodyne Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000013517038 ED Annotated Anodyne O=C(COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(F)cc1 ZINC000013517066 ED Annotated Anodyne Cc1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000013517072 ED Annotated Anodyne Cc1ccccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000013517098 ED Annotated Anodyne Cc1ccccc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000013517101 ED Annotated Anodyne Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1C ZINC000013517126 ED Annotated Anodyne Cc1cccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1C ZINC000013517129 ED Annotated Anodyne COc1cccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 ZINC000013517132 ED Annotated Anodyne COc1cccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 ZINC000013517136 ED Annotated Anodyne CCc1ccccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000013517145 ED Annotated Anodyne CCc1ccccc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000013517148 ED Annotated Anodyne COc1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000013517151 ED Annotated Anodyne COc1ccccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000013517154 ED Annotated Anodyne COc1ccccc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000013517157 ED Annotated Anodyne COC(=O)CC[C@@H](C(=O)OC)N1C(=S)c2ccccc2C1=S ZINC000013529737 ED Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)N1C(=S)c2ccccc2C1=S ZINC000013529739 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)/C(=C/C)CO)[C@H]12 ZINC000013529746 ED Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)/C(=C/C)CO)[C@H]12 ZINC000013529749 ED Annotated Anodyne CCCCN1c2cccc(Cl)c2CN(CC(=O)NO)S1(=O)=O ZINC000013530618 ED Annotated Anodyne O=C(O)c1nc2c(O)nc3cc(C(F)(F)F)c([N+](=O)[O-])cc3n2n1 ZINC000013532635 ED Annotated Bother CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(N)cc3n2n1 ZINC000013532638 ED Annotated Anodyne CNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1CCOC ZINC000013544100 ED Annotated Anodyne COc1cccc(C[C@@]2(CO)CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000013545279 ED Annotated Anodyne COc1cccc(C[C@]2(CO)CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000013545281 ED Annotated Anodyne Nc1nc(O)c2c(n1)NCC(CSc1ccc(C(=O)O)cc1)=N2 ZINC000013552289 ED Annotated Anodyne in-vitro metabolite O=C(O)c1nc2cc(-n3ccc(=O)cc3)c([N+](=O)[O-])cc2nc1O ZINC000013553634 ED Annotated Bother NC(=O)OCc1c2c(n3c1CCC3)C(=O)C=C(N1CCCCC1)C2=O ZINC000013556192 ED Annotated Mild COc1ccc(COC(=O)N/N=C/c2c(CO)cnc(C)c2O)cc1 ZINC000013556316 ED Annotated Reactive CC(=O)OCc1cnc(C)c(OC(C)=O)c1/C=N/Nc1ncccn1 ZINC000013556325 ED Annotated Mild Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/N1CCOCC1 ZINC000013556741 ED Annotated Mild CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000013556876 ED Annotated Mild COC(=O)CCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000013557589 ED Annotated Anodyne N[P@@](=O)(OCC1=CC(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000013558335 ED Annotated Mild N[P@](=O)(OCC1=CC(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000013558336 ED Annotated Mild CC(=O)O[C@@H]1CCc2c3c(n(C(C)=O)c21)C(=O)C=C(N1CC1)C3=O ZINC000013558527 ED Annotated Mild CC(=O)O[C@H]1CCc2c3c(n(C(C)=O)c21)C(=O)C=C(N1CC1)C3=O ZINC000013558528 ED Annotated Mild CC(=O)O[C@@H]1CCc2c3c(n(C(C)=O)c21)C(=O)C(C)=C(N1CC1)C3=O ZINC000013558533 ED Annotated Mild CC(=O)O[C@H]1CCc2c3c(n(C(C)=O)c21)C(=O)C(C)=C(N1CC1)C3=O ZINC000013558534 ED Annotated Mild CC(=O)O[C@@H]1CCc2c3c(n(C(C)=O)c21)C(=O)C(N1CC1)=CC3=O ZINC000013558539 ED Annotated Mild CC(=O)O[C@H]1CCc2c3c(n(C(C)=O)c21)C(=O)C(N1CC1)=CC3=O ZINC000013558540 ED Annotated Mild CC(=O)O[C@@H]1CCc2c3c(n(C(C)=O)c21)C(=O)C(N1CC1)=C(C)C3=O ZINC000013558545 ED Annotated Mild CC(=O)O[C@H]1CCc2c3c(n(C(C)=O)c21)C(=O)C(N1CC1)=C(C)C3=O ZINC000013558546 ED Annotated Mild CC(=O)OCc1[nH]c2c(c1COC(C)=O)C(=O)C(C)=C(N1CC1)C2=O ZINC000013558560 ED Annotated Mild CCCCN/C(N)=N/c1nc(-c2ccnc(CNC(C)=O)n2)cs1 ZINC000013558605 ED Annotated Mild CCCCN/C(N)=N/c1nc(-c2nc(CNC(C)=O)no2)cs1 ZINC000013558610 ED Annotated Mild C/C(=N\NC(=O)CNC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000013571808 ED Annotated Reactive C/C(=N\NC(=O)CNC(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000013571810 ED Annotated Reactive CC(=O)Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1 ZINC000013580743 ED Annotated Anodyne C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013581037 ED Annotated Reactive C[C@@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013581039 ED Annotated Reactive C[C@](O)(CBr)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013581041 ED Annotated Reactive O=S(=O)(c1ccc2c(c1)CN[C@H](CF)C2)N1CCSCC1 ZINC000013581947 ED Annotated Anodyne O=S(=O)(c1ccc2c(c1)CN[C@@H](CF)C2)N1CCSCC1 ZINC000013581950 ED Annotated Anodyne in-vivo CCOC(=O)[C@@H]1CN(C)[C@@H](C)[C@](O)(c2ccccc2)[C@H]1C(=O)OCC ZINC000013584691 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(C)[C@H](C)[C@](O)(c2ccccc2)[C@H]1C(=O)OCC ZINC000013584693 ED Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/COC(=O)C(C)C)CC/C=C(/CO)C(=O)C[C@@H]12 ZINC000013585298 ED Annotated Mild C=C(C)C(=O)O[C@@H]1/C=C(\C=O)CCCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000013585316 ED Annotated Reactive in-vivo C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@]3(C)CO3)=C\C[C@H]12 ZINC000013585331 ED Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@]3(C)CO3)=C\C[C@H]12 ZINC000013585333 ED Annotated Mild C=C(CO)C(=O)OC/C1=C/C[C@@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C\CC1 ZINC000013585358 ED Annotated Mild O=C(CN1CCC2(CC1)OCCO2)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000013585721 ED Annotated Clean C[C@@H](O)[C@@H](NC(=O)C1Cc2ccccc2C1)C(=O)OCCCS ZINC000013586977 ED Annotated Mild C[C@H](O)[C@@H](NC(=O)C1Cc2ccccc2C1)C(=O)OCCCS ZINC000013586978 ED Annotated Mild C[C@@H](O)[C@H](NC(=O)C1Cc2ccccc2C1)C(=O)OCCCS ZINC000013586979 ED Annotated Mild C[C@H](O)[C@H](NC(=O)C1Cc2ccccc2C1)C(=O)OCCCS ZINC000013586980 ED Annotated Mild CN(CCC[C@@H](C=O)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F ZINC000013588606 ED Annotated Mild O=C1c2ccccc2-c2ncnc3ccc(NCCNCCO)c1c23 ZINC000013589935 ED Annotated Clean COCCNc1nc2nonc2nc1N(C)CC[C@@H]1CCCCO1 ZINC000013594208 ED Annotated Anodyne COCCNc1nc2nonc2nc1N(C)CC[C@H]1CCCCO1 ZINC000013594210 ED Annotated Anodyne CCn1cc(CNc2nc3nonc3nc2N2CCCCC2)cn1 ZINC000013594233 ED Annotated Anodyne CN(Cc1nc(-c2cnccn2)no1)Cc1[nH]nc2c1CCCC2 ZINC000013595419 ED Annotated Anodyne COC[C@@H]1CCN(c2nc3nonc3nc2N2CCSCC2)C1 ZINC000013595487 ED Annotated Anodyne COC[C@H]1CCN(c2nc3nonc3nc2N2CCSCC2)C1 ZINC000013595491 ED Annotated Anodyne CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1F ZINC000013595890 ED Annotated Anodyne CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1ccccc1F ZINC000013595893 ED Annotated Anodyne C[C@H]1CN(c2nc3nonc3nc2N2CCSCC2)C[C@@H](C)O1 ZINC000013595939 ED Annotated Anodyne COCCNc1nc2nonc2nc1N1CCC[C@@H]1c1nccs1 ZINC000013596022 ED Annotated Anodyne COCCNc1nc2nonc2nc1N1CCC[C@H]1c1nccs1 ZINC000013596025 ED Annotated Anodyne CC(C)(C)C(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1 ZINC000013600767 ED Annotated Mild NC(N)=Nc1nc(-c2cccc(CNC(=O)C(F)(F)F)n2)cs1 ZINC000013600783 ED Annotated Mild CSCC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1 ZINC000013600786 ED Annotated Mild NC(N)=Nc1nc(-c2cccc(CNC(=O)c3ccco3)n2)cs1 ZINC000013600808 ED Annotated Mild CCCNC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1 ZINC000013600820 ED Annotated Mild O=C(CI)Nc1ccc(CC2=NCCN2)cc1 ZINC000013601110 ED Annotated Reactive COc1cc2c(cc1OC)-c1nn(CCC(=O)O)c(=O)cc1CC2 ZINC000013604588 ED Annotated Anodyne COc1cc2c(cc1OC)-c1nn(CCCC(=O)O)c(=O)cc1CC2 ZINC000013604593 ED Annotated Anodyne CCCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000013605727 ED Annotated Mild CCCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000013605728 ED Annotated Mild CN(C)CCc1c(C(N)=O)[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 ZINC000013605879 ED Annotated Anodyne CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccc([C@@H](C)O)cc1C2=O ZINC000013606016 ED Annotated Anodyne CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccc([C@H](C)O)cc1C2=O ZINC000013606017 ED Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc(F)c1 ZINC000013612283 ED Annotated Anodyne COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]12 ZINC000013615715 ED Annotated Anodyne CCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 ZINC000013633210 ED Annotated Anodyne CCCC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 ZINC000013633212 ED Annotated Anodyne CCCC(=O)OC[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 ZINC000013633215 ED Annotated Anodyne CCCC(=O)OC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 ZINC000013633218 ED Annotated Anodyne C=CCOC(=O)C(=O)/C=C/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013634540 ED Annotated Mild C#CCNC(=O)C1=C[C@H](c2ccccc2)C[C@H](OCCCCO)O1 ZINC000013634815 ED Annotated Mild CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](C)[C@@H]1CCCO ZINC000013634968 ED Annotated Anodyne CN1CCNC(=O)[C@@H]1CC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000013636538 ED Annotated Anodyne CN1CCNC(=O)[C@H]1CC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000013636540 ED Annotated Anodyne O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\[C@H]3CS(=O)(=O)C[C@@H]3O)c2c1 ZINC000013637871 ED Annotated Clean O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\[C@@H]3CS(=O)(=O)C[C@@H]3O)c2c1 ZINC000013637877 ED Annotated Clean COc1ccc(-c2nn3c(=O)[nH]c4ccccc4n3c2=O)cc1OC ZINC000013642892 ED Annotated Anodyne COc1ccc(-c2nn3c(=O)[nH]c4ccc(Cl)cc4n3c2=O)cc1 ZINC000013642905 ED Annotated Anodyne O=C(O)[C@@H]1C[C@H]2C[C@@H](Nc3ccccc3-c3nnn[nH]3)CC[C@H]2CN1 ZINC000013645811 ED Annotated Anodyne CCn1c2cc(N3CCN(C)CC3)c(F)cc2n2c(=O)nc(O)cc12 ZINC000013650474 ED Annotated Anodyne CCn1c2cc(N3CCN(C)CC3)c(F)cc2n2c(=O)nc(N)cc12 ZINC000013650485 ED Annotated Anodyne COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C3CCCN3C=C2C1=O ZINC000013656285 ED Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C3CCCN3C=C2C1=O ZINC000013656288 ED Annotated Mild CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](C2CC2)[C@@H]1CCCO ZINC000013656740 ED Annotated Anodyne CC(C)(C)[C@H]1C=C(C(=O)N2CCOCC2)O[C@@H](OCCCCO)C1 ZINC000013656751 ED Annotated Anodyne C[C@@H]1C=C(C(=O)N2CCOCC2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000013656761 ED Annotated Anodyne O=C(C1=C[C@H](C2CC2)C[C@H](OCCCCO)O1)N1CCOCC1 ZINC000013656763 ED Annotated Anodyne C[C@H]1C=C(C(=O)N2CCOCC2)O[C@@H](OCc2ccc(CO)cc2)C1 ZINC000013656799 ED Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C2CC2)[C@H]1CCCO ZINC000013656801 ED Annotated Anodyne O=C(C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1)N1CCOCC1 ZINC000013656803 ED Annotated Anodyne CCN(CC)C(=O)c1[nH]cnc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000013657102 ED Annotated Anodyne CNC(=O)c1[nH]cnc1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000013657132 ED Annotated Anodyne COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc(C)c(C)cc43)[C@@H]2N1C ZINC000013660743 ED Annotated Anodyne COCCNC(=O)[C@H]1C[C@@H]2Cn3c(nc4cc(C)c(C)cc43)[C@@H]2N1C ZINC000013660746 ED Annotated Anodyne COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc(C)c(C)cc43)[C@@H]2N1C ZINC000013660749 ED Annotated Anodyne COCCNC(=O)[C@H]1C[C@H]2Cn3c(nc4cc(C)c(C)cc43)[C@@H]2N1C ZINC000013660752 ED Annotated Anodyne COC(=O)[C@@H](CC(C)C)N1CCC(=O)c2ccccc2S1(=O)=O ZINC000013661105 ED Annotated Anodyne COC(=O)[C@H](CC(C)C)N1CCC(=O)c2ccccc2S1(=O)=O ZINC000013661107 ED Annotated Anodyne O=C1NC[C@H](Cc2ccccc2)N(CCc2cccc(F)c2)C1=O ZINC000013662126 ED Annotated Anodyne NCCCC[C@H]1CNC(=O)C(=O)N1CCc1cccc2ccccc12 ZINC000013662177 ED Annotated Anodyne O=C1NC[C@@H](Cc2ccc(O)cc2)N(CCc2cccc(F)c2)C1=O ZINC000013662227 ED Annotated Anodyne O=P(O)(O)C(O)(CC12CC3CC(CC(C3)C1)C2)P(=O)(O)O ZINC000013673742 ED Annotated Anodyne CN(C)CCCOc1ccc2nc3n(c2c1)C[C@H](CN(C)C)CN3 ZINC000013675180 ED Annotated Anodyne CN(C)CCCOc1ccc2nc3n(c2c1)C[C@@H](CN(C)C)CN3 ZINC000013675182 ED Annotated Anodyne CN(C)CCCn1c(N)nc2ccc3c(c21)C[C@H](CN(C)C)CO3 ZINC000013675187 ED Annotated Anodyne in-vitro CN(C)CCCn1c(N)nc2ccc3c(c21)C[C@@H](CN(C)C)CO3 ZINC000013675189 ED Annotated Anodyne CN(C)C[C@@H]1CNc2nc3ccc4c(c3n2C1)C[C@H](CN(C)C)CO4 ZINC000013675191 ED Annotated Anodyne CN(C)C[C@@H]1COc2ccc3nc4n(c3c2C1)C[C@@H](CN(C)C)CN4 ZINC000013675193 ED Annotated Anodyne CN(C)C[C@H]1COc2ccc3nc4n(c3c2C1)C[C@H](CN(C)C)CN4 ZINC000013675195 ED Annotated Anodyne CN(C)C[C@H]1COc2ccc3nc4n(c3c2C1)C[C@@H](CN(C)C)CN4 ZINC000013675196 ED Annotated Anodyne O=c1c2ccccc2oc2ccc(S(=O)(=O)Nc3nnn[nH]3)cc12 ZINC000013681668 ED Annotated Bother in-vivo Nc1c(C(=O)c2cccc([C@@H](O)CO)c2)cnn1-c1ccc(F)cc1 ZINC000013683090 ED Annotated Anodyne Nc1c(C(=O)c2cccc([C@H](O)CO)c2)cnn1-c1ccc(F)cc1 ZINC000013683094 ED Annotated Anodyne N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000013687367 ED Annotated Mild CC(C)COCC1(NCC(=O)N2[C@H](C#N)CC[C@@H]2C#N)CCCC1 ZINC000013687463 ED Annotated Mild CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](C)COC1=O ZINC000013704248 ED Annotated Anodyne CSCC[C@@H]1NC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](C)COC1=O ZINC000013704252 ED Annotated Anodyne N=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cc(=O)[nH]s1 ZINC000013728913 ED Annotated Anodyne CC(C)(C)C1CS(=O)(=O)C(c2ccccc2O)S(=O)(=O)C1 ZINC000013733457 ED Annotated Anodyne Cc1cccc(CN2C(=O)c3ccccc3[C@]3(CC(=O)NC3=O)C2=O)c1 ZINC000013737601 ED Annotated Anodyne O=C(O)C[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 ZINC000013739762 ED Annotated Anodyne O=C(O)C[C@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 ZINC000013739763 ED Annotated Anodyne Cc1noc(N(CC(=O)O)S(=O)(=O)c2ccc(N)cc2)c1C ZINC000013741039 ED Annotated Anodyne N#CN/C(=N\[C@@H]1c2cc(C#N)ccc2OC[C@H]1O)Nc1ccccc1 ZINC000013741501 ED Annotated Mild CCOCCOCn1c2c(c(=O)[nH]c1=O)CNc1ccccc1S2 ZINC000013741664 ED Annotated Anodyne CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OCCO)cc12 ZINC000013741863 ED Annotated Mild CC(C)CCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1 ZINC000013743361 ED Annotated Bother CC[C@H](C)Oc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1 ZINC000013743506 ED Annotated Anodyne CS(=O)(=O)Nc1cc2c(cc1OC1CCOCC1)C(=O)CC2 ZINC000013744822 ED Annotated Anodyne CCCCn1c(=O)n(CCCC(=O)OCC)c(=O)c2nccnc21 ZINC000013745143 ED Annotated Anodyne CCCCCn1c(=O)n(CCCC(=O)OCC)c(=O)c2nccnc21 ZINC000013745145 ED Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O ZINC000013755805 ED Annotated Anodyne COc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O ZINC000013755809 ED Annotated Anodyne Cn1nnc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)n1 ZINC000013755835 ED Annotated Anodyne CC[C@@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759708 ED Annotated Anodyne CC[C@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759709 ED Annotated Anodyne CC(C)[C@@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759710 ED Annotated Anodyne CC(C)[C@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759711 ED Annotated Anodyne O=C(O)CCNC(=O)C[C@@H]1CC(CCCC2CCNCC2)=NO1 ZINC000013760803 ED Annotated Anodyne O=C(O)CCNC(=O)C[C@H]1CC(CCCC2CCNCC2)=NO1 ZINC000013760804 ED Annotated Anodyne O=C(O)CN1CC(=O)N(Cc2nc3c(Cl)cccc3s2)C1=O ZINC000013761140 ED Annotated Anodyne CCc1nnc2c(O)nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12 ZINC000013763200 ED Annotated Bother CC[C@@H]1CN=C2C(=O)Nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3N21 ZINC000013763208 ED Annotated Bother CC[C@H]1CN=C2C(=O)Nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3N21 ZINC000013763210 ED Annotated Bother O=C(O)CN1CCc2cc(OCCC3CCNCC3)ccc2C1=O ZINC000013763513 ED Annotated Anodyne O=C(O)CN1CCc2cc(OCCCC3CCNCC3)ccc2C1=O ZINC000013763515 ED Annotated Anodyne N=C(N)c1ccc(C#Cc2ccc3c(c2)CCN(CC(=O)O)C3=O)cc1 ZINC000013763532 ED Annotated Mild COc1cc(-c2nc3[nH]c(N)nc(N)c-3n2)c([N+](=O)[O-])cc1OC ZINC000013765328 ED Annotated Bother C#CCn1c(=O)c2c(nc(/C=C/c3cccs3)n2C)n(C)c1=O ZINC000013776424 ED Annotated Mild C#CCn1c(=O)c2c(nc(/C=C/c3ccsc3)n2C)n(C)c1=O ZINC000013776426 ED Annotated Mild O=C1c2cccn2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccccc1F ZINC000013781442 ED Annotated Anodyne Cc1ccc(CN2C(=O)c3cccn3[C@@]3(CC(O)=NC3=O)C2=O)cc1 ZINC000013781455 ED Annotated Anodyne COc1ccc(C#C[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000013782946 ED Annotated Mild COc1ccc(C#C[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000013782947 ED Annotated Mild COc1c2c(cc3c1OCO3)[C@@]13C=C[C@@H](OC)C[C@@H]1N(C2)C[C@H]3O ZINC000013783538 ED Annotated Anodyne COc1c2c(cc3c1OCO3)[C@@]13C=C[C@@H](OC)C[C@H]1N(C2)C[C@H]3O ZINC000013783539 ED Annotated Anodyne Cc1onc2c(=O)n(CC(=O)O)nc(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000013797624 ED Annotated Bother Cc1onc2c(=O)n(CC(=O)O)nc(-c3cccc([N+](=O)[O-])c3)c12 ZINC000013797627 ED Annotated Bother Cc1onc2c(=O)n(CC(=O)O)nc(-c3ccccc3[N+](=O)[O-])c12 ZINC000013797630 ED Annotated Bother Fc1cccc(C#CCOc2nsnc2C23CN4C[C@H]2[C@H]3C4)c1 ZINC000013797991 ED Annotated Mild CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n2n1 ZINC000013798615 ED Annotated Anodyne CCOC(=O)c1nc2c(=O)[nH]c3cc(Br)ccc3n2n1 ZINC000013798618 ED Annotated Anodyne CCOC(=O)CCCn1cc(CN)c2cc(OC)c(OC)cc2c1=O ZINC000013800923 ED Annotated Anodyne CCOC(=O)CCCn1cc(N)c2cc(OC)c(OC)cc2c1=O ZINC000013800932 ED Annotated Anodyne CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O ZINC000013800967 ED Annotated Anodyne CCOC(=O)CCCn1c(N)nc2cc(OC)c(OC)cc2c1=O ZINC000013800993 ED Annotated Anodyne N#Cc1ccc(/N=c2\c(O)c(O)\c2=N/[C@H](CO)c2ccccc2)cc1 ZINC000013806465 ED Annotated Mild CCOC(=O)[C@@]1(C)Oc2ccccc2C(C(=O)OC)=C1C(=O)OC ZINC000013814564 ED Annotated Anodyne CCOC(=O)[C@]1(C)Oc2ccccc2C(C(=O)OC)=C1C(=O)OC ZINC000013814567 ED Annotated Anodyne C[C@]12C[C@]34C[C@H]1[C@H]2C[C@H]3[C@@]1(C)C[C@H](O)CC(CO)(CO)[C@@H]1[C@H](O)C4 ZINC000013814932 ED Annotated Anodyne C[C@]12C[C@]34C[C@H]1[C@H]2C[C@H]3[C@@]1(C)C[C@H](O)CC(CO)(CO)[C@H]1[C@H](O)C4 ZINC000013814936 ED Annotated Anodyne COc1cccc(CS(=O)(=O)c2nnnn2-c2ccccc2)c1 ZINC000013815171 ED Annotated Anodyne N#Cc1ccc(CS(=O)(=O)c2nnnn2-c2ccccc2)cc1 ZINC000013815177 ED Annotated Mild CCOC(=O)CN1C(=O)N[C@@H](c2cccs2)C(C(=O)OC)=C1C ZINC000013816416 ED Annotated Anodyne CCC[C@H](NCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O ZINC000013820153 ED Annotated Anodyne CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(O)ccc4[C@@H]3C[C@@H]21 ZINC000013820255 ED Annotated Anodyne CN(C)S(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 ZINC000013820268 ED Annotated Anodyne C[S@](=O)CCNCc1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822150 ED Annotated Anodyne CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](Oc2ccc(=O)[nH]n2)[C@]1(C)O ZINC000013825250 ED Annotated Bother CCN(CC)Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 ZINC000013825548 ED Annotated Reactive N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCCC2)o1 ZINC000013825550 ED Annotated Reactive COCCNC(=O)[C@@]1(C(F)(F)F)C[C@@H](CCCO)CCCO1 ZINC000013829159 ED Annotated Anodyne COCCNC(=O)[C@]1(C(F)(F)F)C[C@@H](CCCO)CCCO1 ZINC000013829161 ED Annotated Anodyne COCCNC(=O)[C@@]1(C(F)(F)F)C[C@H](CCCO)CCCO1 ZINC000013829163 ED Annotated Anodyne COCCNC(=O)[C@]1(C(F)(F)F)C[C@H](CCCO)CCCO1 ZINC000013829165 ED Annotated Anodyne COCCNC(=O)[C@@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829218 ED Annotated Anodyne COCCNC(=O)[C@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829220 ED Annotated Anodyne COCCNC(=O)[C@@]1(C(F)(F)F)C/C(=C/CCO)CCCO1 ZINC000013829222 ED Annotated Anodyne COCCNC(=O)[C@]1(C(F)(F)F)C/C(=C/CCO)CCCO1 ZINC000013829224 ED Annotated Anodyne Nc1nc2c(c(=O)[nH]1)-c1cc(I)ccc1CC2 ZINC000013832440 ED Annotated Anodyne COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(C)(=O)=O ZINC000013833647 ED Annotated Anodyne CN1CCN(NC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)CC1 ZINC000013833819 ED Annotated Anodyne C=CCN(C)c1nc(I)nc2c1ncn2C ZINC000013834626 ED Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@]3(C)CO3)=C/C[C@H]12 ZINC000013838383 ED Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@]3(C)CO3)=C/C[C@H]12 ZINC000013838386 ED Annotated Mild CN(C)CCCOc1cc(C(=O)N(C)C)n(Cc2ccccc2)n1 ZINC000013861423 ED Annotated Anodyne Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21 ZINC000013861460 ED Annotated Mild CC1=C(CCC(=O)N2CCN(C)CC2)C(=O)c2ccccc2C1=O ZINC000013861884 ED Annotated Mild CC1=C(CCC(=O)N2CCN(C)CC2)C(=O)c2c(O)cccc2C1=O ZINC000013861886 ED Annotated Mild O=C(CN1Cc2c(Cl)cccc2N(CC2CC2)S1(=O)=O)NO ZINC000013862889 ED Annotated Anodyne Cc1ncn(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)n1 ZINC000013862998 ED Annotated Anodyne Cc1ncnn1Cc1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 ZINC000013862999 ED Annotated Anodyne O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccc4)cc3n2n1 ZINC000013864083 ED Annotated Anodyne O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccn4)cc3n2n1 ZINC000013864089 ED Annotated Anodyne O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000013865635 ED Annotated Anodyne O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@H]1CCCC[C@@H]1Br ZINC000013885714 ED Annotated Reactive O=C1[C@H]2[C@H]([C@@H]3C=C[C@H]2C3)S(=O)(=O)N1CCCCc1ccncc1 ZINC000013886874 ED Annotated Anodyne O=C1[C@@H]2[C@H]([C@@H]3C=C[C@H]2C3)S(=O)(=O)N1CCCCc1ccncc1 ZINC000013886875 ED Annotated Anodyne C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000013889042 ED Annotated Mild CO[C@H]1Nc2ccccc2C(=O)N2C=C(/C=C/C(=O)N(C)C)C[C@@H]12 ZINC000013900453 ED Annotated Anodyne CNC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000013901550 ED Annotated Anodyne C[C@@H]1CN1C1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2C[C@H]32)C1=O ZINC000013905254 ED Annotated Mild C[C@H]1CN1C1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2C[C@H]32)C1=O ZINC000013905255 ED Annotated Mild NC(=O)OCc1c2c(n3c1[C@H]1C[C@H]1C3)C(=O)C=C(N1CCCC1)C2=O ZINC000013905256 ED Annotated Mild CCOC1=C/C(=C/NNC(=O)c2ccc(C)nc2)C=C([N+](=O)[O-])C1=O ZINC000013940045 ED Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC(=O)[C@]45O[C@H]4C(=O)CC[C@]35C=O)[C@@H]1CCC2=O ZINC000135679124 ED Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)C=C[C@H]2O[C@@]12COC(=O)c1ccccc1 ZINC000135686803 ED Annotated Anodyne O=C(CSC1=NN/C(=C2/C=CC=CC2=O)O1)NC1CCCCC1 ZINC000135820632 ED Annotated Mild C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34 ZINC000135866096 ED Annotated Anodyne CN(C)/C=N/c1nnc(-c2ccc3c(c2)OCO3)c(/N=C/N(C)C)n1 ZINC000135924612 ED Annotated Mild CCN(CC)C(=S)N/N=C1\C(=O)N(CN(C)C)c2ccccc21 ZINC000135986059 ED Annotated Mild N#C[C@@H](c1ccnc(NCc2nn[nH]n2)n1)c1nc2ccccc2s1 ZINC000136088435 ED Annotated Mild N#C[C@H](c1ccnc(NCc2nn[nH]n2)n1)c1nc2ccccc2s1 ZINC000136088484 ED Annotated Mild C[C@@H]1CCCCN1C(=O)CSC1=NN/C(=C2\C=CC=CC2=O)O1 ZINC000136113387 ED Annotated Mild CCNC(=O)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136130044 ED Annotated Anodyne COC1=C2c3ccc(OC)c(=O)cc3[C@H]3CC[C@]2(C=C(O)C1=O)N3C ZINC000136318256 ED Annotated Mild C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C[C@@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@@H]2O ZINC000136550673 ED Annotated Mild COC(=O)c1ccc(CNC(=O)COC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1 ZINC000136621912 ED Annotated Anodyne C[C@H]1CCCCN1C(=O)CSC1=NN/C(=C2\C=CC=CC2=O)O1 ZINC000136670276 ED Annotated Mild C=C[C@H](O)C#CC#C[C@@H](O)[C@H](OC(C)=O)[C@H](O)CCCCCCC ZINC000136704531 ED Annotated Mild C[C@@]12CC[C@@]3(O)OC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000136749993 ED Annotated Anodyne CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@H]1O ZINC000136760402 ED Annotated Anodyne CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@H]1O ZINC000136760482 ED Annotated Anodyne O=C(O)C1=C/C(=C/C=N/CCc2ccc(O)c(O)c2)C[C@@H](C(=O)O)N1 ZINC000136768601 ED Annotated Mild C=C(C)[C@@H]1CC(=O)[C@H]2[C@H](C1)[C@@H]1C(=O)O[C@H]3[C@@H]1CC(=O)[C@@H]2[C@H]3C(C)=O ZINC000136783027 ED Annotated Mild O=C1c2c(n(O)c3ccccc3[n+]2=O)CCN1CCN1CCCCC1 ZINC000136795684 ED Annotated Anodyne COc1ccc2c(c1)=C1CCN3C(=O)c4ccccc4N(C)C3=C1N=2 ZINC000136886401 ED Annotated Anodyne C/C=C1/CN2[C@H]3Cc4c([nH]c5ccc(O)cc45)[C@]2(O)C[C@@H]1[C@H]3CO ZINC000136888539 ED Annotated Anodyne COc1cc(N/C=C2\C(=O)C(C)=NC=C2CO)cc(OC)c1OC ZINC000136902422 ED Annotated Mild CC1=C2[C@@H](C[C@@H]3[C@@]4(C)CC[C@H]5C[C@@]5(C)[C@@H]4C[C@H](O)[C@@]3(O)[C@@H]2O)OC1=O ZINC000136924164 ED Annotated Anodyne COc1ccc2c(c1O)[C@]13CC[C@@H](O)[C@]4(O)O[C@H]2C[C@]14N(C)CC3 ZINC000137071546 ED Annotated Anodyne CC1=C2[C@H](O)[C@]3(O)[C@@H](C[C@H]2OC1=O)[C@]1(C)CC[C@@H]2C[C@]2(C)[C@H]1C[C@H]3O ZINC000137252446 ED Annotated Anodyne CC1=CC(=O)C[C@H]2[C@H]1CC[C@@H](C)[C@]21C[C@H](C2=CC(=O)O[C@H]2O)OC1=O ZINC000137394502 ED Annotated Mild CC1=CC(=O)C[C@H]2[C@H]1CC[C@@H](C)[C@]21C[C@H](C2=C[C@H](O)OC2=O)OC1=O ZINC000137394559 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)CC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000137472685 ED Annotated Mild C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C[C@@]3(C)CC(=O)[C@@H](CC(=O)C1)O3)[C@@H]2O ZINC000137601307 ED Annotated Mild C[C@@H]1C[C@@H]2[C@H]3/C=C4\C(=O)C[C@@H](C[C@H](O)C[C@H]3C=C[C@@H]2C1=O)OC4=O ZINC000137727198 ED Annotated Mild CCN1C=CN(CCN(C)S(=O)(=O)C(F)(F)F)/C1=C\N=O ZINC000137900083 ED Annotated Anodyne C[C@@]12[C@H](CC[C@@]34C[C@@H](CC[C@H]31)[C@@](O)(CO)C4)C1=CC(=O)OC1=C[C@H]2O ZINC000137927340 ED Annotated Anodyne O=C(CN1CC[C@H](C(F)(F)F)C1)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000137943372 ED Annotated Anodyne C[C@@]12CC[C@]3(O)NC(=O)C[C@@H]3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000138041672 ED Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(O)c(O)c2)OC[C@@H]1[C@H](O)c1ccc(O)c(O)c1 ZINC000138093311 ED Annotated Clean CCOC1=CC=C/C(=C\NNc2nc(=O)cc(C(=O)OC)s2)C1=O ZINC000138253667 ED Annotated Mild C/C=C/C=C\C(=O)OCc1c(OC)c(CO)c(/C=C/CO)oc1=O ZINC000138298548 ED Annotated Anodyne CC(C)=CCC/C(C)=C/Cn1c(=O)n(C)c2c(=O)[nH]c(=O)n(C)c21 ZINC000138395780 ED Annotated Anodyne C[C@H](O)C(=O)[C@H]1[C@H](/C=C/[C@H](C)C[C@H](C)[C@@H](C)O)C=C[C@@H](O)[C@@H]1O ZINC000138402992 ED Annotated Anodyne COc1ccc2c(c1O)[C@]13CC[C@H](O)[C@]4(O)O[C@H]2C[C@]14N(C)CC3 ZINC000138683931 ED Annotated Anodyne CC1CCC(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 ZINC000138697812 ED Annotated Anodyne C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C/[C@@H]3OC(=O)[C@@]1(C)[C@H]32 ZINC000138730370 ED Annotated Mild COC(=O)Cc1nnn2c1[C@H](C)[C@H](c1ccccc1[N+](=O)[O-])OCC2 ZINC000138805288 ED Annotated Bother Cc1nc2ccccc2n(CC(=O)NNC(=O)c2ccccc2)c1=O ZINC000138915838 ED Annotated Reactive CC(=O)O[C@H]1C#C/C=C/C#CC[C@@H]2C(=O)N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000139031530 ED Annotated Mild CO[C@@H]1C2=C(C)C(=O)O[C@]2(O)C=C2CC[C@H](OC(C)=O)[C@H](C)[C@]21C ZINC000139087459 ED Annotated Anodyne CCOC(=O)Cn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 ZINC000139091286 ED Annotated Anodyne O=c1n(C2=NCCS2)c2cccnc2n1-c1ccc2c(c1)OCO2 ZINC000139091782 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@H]2CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]21 ZINC000139149415 ED Annotated Mild O=C(O)C1=C/C(=C/C=N/CCc2ccc(O)cc2)C[C@@H](C(=O)O)N1 ZINC000139150730 ED Annotated Mild C[C@H]1C[C@@H]([C@@H]2CC[C@@H]3N2CCCC[C@]32OC(=O)[C@H](C)[C@H]2O)OC1=O ZINC000139179526 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC)N(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000139225745 ED Annotated Anodyne CO[C@@H]1C[C@@]23C(=CC(=O)N2CCc2cc4c(cc23)OCO4)[C@@H]2O[C@@H]21 ZINC000139255828 ED Annotated Anodyne C[C@@](O)(/C=C/Br)[C@@H]1C[C@@H](Br)[C@](C)(O)CO1 ZINC000139337056 ED Annotated Reactive COC(=O)C[C@]1(C)OC(=O)c2oc(=O)c3c(O)cc(OC)cc3c21 ZINC000139482841 ED Annotated Anodyne CO[C@@H]1CO[C@@H](Oc2cc(C)c3nccc(C)c3c2)[C@H](OC)[C@H]1O ZINC000139559348 ED Annotated Anodyne CC1=CC(=O)C2=C(C)C[C@H](O)[C@@H]3[C@@H](OC(=O)[C@@]3(C)OC(=O)C(C)C)[C@H]12 ZINC000139756763 ED Annotated Mild C=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](O)[C@H]21 ZINC000139756893 ED Annotated Mild COc1ccc(C(=O)Cc2ccncc2)n2nc(C3(CO)CC3)nc12 ZINC000139763403 ED Annotated Anodyne C#Cc1ccc2nnc(CNc3ccnc4cc(OC)cnc34)n2n1 ZINC000139882884 ED Annotated Mild CC(=O)C1=COC[C@H]2[C@@H]3C[C@]4(C(=O)N(C)c5ccccc54)[C@H](C[C@@H]12)N3 ZINC000139883740 ED Annotated Mild N[C@@H](CCC1=CN2CCCC[C@H]2[C@H]2CC[C@@H](C(=O)O)N=C12)C(=O)O ZINC000139926846 ED Annotated Anodyne O=C1OC(=O)[C@H]2[C@@H]3C[C@H](COC(=O)[C@@H]4C[C@H]4c4ccccc4)[C@@H](O3)[C@@H]12 ZINC000014300033 ED Annotated Reactive C[C@]12CC[C@]3(O)C[C@@]1(CC[C@H]1[C@@]24CCC[C@@]1(C)C(=O)O4)C(=O)[C@@H]3CO ZINC000014408024 ED Annotated Anodyne in-vitro biogenic C[C@H](O)C[C@@H]1C[C@@H]2N[C@@H](C[C@@]23C(=O)N(C)c2ccccc23)[C@@H]1CO ZINC000014417402 ED Annotated Anodyne in-vitro biogenic CC(=O)N(C)[C@@H]1[C@@H](COCc2ccccc2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000014419064 ED Annotated Anodyne COC1=C[C@@]23CCN(C)[C@@H](Cc4cc5c(cc42)OCO5)C3=C[C@@H]1O ZINC000014421008 ED Annotated Anodyne O=C([C@H]1CSC(c2cccc(O)c2O)=N1)N(O)CCc1cnc[nH]1 ZINC000014421810 ED Annotated Clean in-vitro COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@H](CO)[C@H](CO)C2 ZINC000014435199 ED Annotated Clean in-vitro biogenic COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@H](CO)[C@@H](CO)C2 ZINC000014435201 ED Annotated Anodyne COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@@H](CO)[C@@H](CO)C2 ZINC000014435204 ED Annotated Anodyne COc1c(O)ccc2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](OC)[C@H]2O ZINC000014436119 ED Annotated Clean COc1cc(O)c2c(c1O)C(=O)c1c(O)c(C)c(O)c(O)c1C2=O ZINC000014437950 ED Annotated Clean COc1cc(O)c2c(c1OC)C(=O)c1c(O)c(C)c(O)c(O)c1C2=O ZINC000014437952 ED Annotated Clean COc1cc(O)c(OC)c2c1C(=O)c1c(O)c(C)c(O)c(O)c1C2=O ZINC000014437956 ED Annotated Clean COc1cc2c(cc1O)CCCN1CCC3=C[C@H](O)[C@H](OC)C[C@]321 ZINC000014440729 ED Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@H](O)[C@@H](OC)C[C@]321 ZINC000014440731 ED Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@H](O)[C@H](OC)C[C@@]321 ZINC000014440732 ED Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@H](O)[C@@H](OC)C[C@@]321 ZINC000014440734 ED Annotated Anodyne CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(O)cc2)(SC)C(=O)N1C ZINC000014443957 ED Annotated Anodyne CS[C@H]1C(=O)N(C)[C@@](Cc2ccc(O)cc2)(SC)C(=O)N1C ZINC000014443959 ED Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](OC2=O)[C@@H](O)C=C2CCN(C)[C@H]21 ZINC000014454824 ED Annotated Anodyne COc1ccc(CO)c2c1Nc1c(C(=O)O)cccc1N2C(=O)CO ZINC000014455260 ED Annotated Anodyne CS[C@]1(Cc2ccc(OCC=C(C)C)cc2)NC(=O)CNC1=O ZINC000014489263 ED Annotated Anodyne COc1cc(C(=O)O[C@H](C(N)=O)[C@@]2(C)CO2)c2cccc(C)c2c1 ZINC000014490592 ED Annotated Anodyne COc1cc(C(=O)O[C@@H](C(N)=O)[C@]2(C)CO2)c2cccc(C)c2c1 ZINC000014490594 ED Annotated Anodyne COc1cc(C(=O)O[C@H](C(N)=O)[C@]2(C)CO2)c2cccc(C)c2c1 ZINC000014490596 ED Annotated Anodyne CN(C)CCNc1nc2cc(-c3nnn[nH]3)ccc2c2cnccc12 ZINC000140007765 ED Annotated Anodyne Cc1ccc2[nH]c(C3=c4cc([N+](=O)[O-])ccc4=NC3=O)c(NO)c2c1 ZINC000140052439 ED Annotated Bother in-vivo N[C@@H](C[C@@H]1C/C(=N\[C@@H]2C[C@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000140367644 ED Annotated Anodyne in-vitro CCn1cc(NC(=O)c2ccc(Cn3cccn3)o2)c(C(N)=O)n1 ZINC000140787406 ED Annotated Anodyne CC[C@@H](CO)[C@@H]1C[C@@H]2N[C@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@H](O)[C@H]31 ZINC000140875342 ED Annotated Anodyne C=C[C@H](O)C#CC#C[C@@H](OC(C)=O)[C@H](O)[C@H](O)CCCCCCC ZINC000140906082 ED Annotated Mild C=C(C)[C@H]1CC(=O)[C@H]2[C@H]3O[C@]4(C)C[C@@H]5OC(=O)[C@@H]([C@@H]5[C@@H]4C3=O)[C@@H]2C1 ZINC000141152360 ED Annotated Mild CC(=O)O[C@H]1C[C@@H](C)[C@@H]2[C@@H](O)OC(=O)[C@@]3(C)CC(C)(C)[C@H]1[C@]23O ZINC000141377559 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccccc1 ZINC000141626505 ED Annotated Anodyne COc1ccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000141632140 ED Annotated Anodyne CCC[C@H]1C2=C(CCC3=C(C[C@H]1CC)C(=O)O[C@@H]3O)[C@H](O)OC2=O ZINC000141804016 ED Annotated Anodyne CN(C1CCOCC1)C(C)(C)C(=O)Nc1cc(C(C)(C)CO)no1 ZINC000141825382 ED Annotated Anodyne CO[C@@H]1C[C@@H]2[C@@H]3[C@@H](OC[C@]3(O)C[C@H]2OC(=O)c2ccc(O)cc2)O1 ZINC000141842088 ED Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@](C)(O)NC1=O ZINC000141874350 ED Annotated Mild COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(OC)cc4)C(=O)[C@@H]13)O2 ZINC000141904977 ED Annotated Anodyne CCS(=O)(=O)c1ccc(O)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 ZINC000141916136 ED Annotated Anodyne CC(=O)C1=C(O)/C(=C(\C)Nc2ccccc2NC=O)C(=O)OC1=O ZINC000142006936 ED Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(NC(N)=O)cc2)C(=O)OC1=O ZINC000142066069 ED Annotated Reactive O=C(O)[C@@H]1[C@@H]2C[C@H]([C@@H]1C(=O)O)[C@@H](Br)[C@@H]2Br ZINC000142478340 ED Annotated Reactive O=C(O)[C@H]1[C@@H]2C[C@@H]([C@@H](Br)[C@@H]2Br)[C@@H]1C(=O)O ZINC000142478536 ED Annotated Reactive O=C(NCCO)c1ccc(OCc2conc2-c2ccccn2)nc1 ZINC000142515640 ED Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@H]([C@@H](C)O)[C@@H]23 ZINC000142523446 ED Annotated Anodyne CCN1CCc2nc(OC3CCN(C4CCC4)CC3)ncc2C1=O ZINC000142584283 ED Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CC[C@H](F)C3)nc2)c1)C(=O)CN ZINC000142806652 ED Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CCCC3)nc2)c1)C(=O)CN ZINC000142889563 ED Annotated Anodyne C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142909716 ED Annotated Anodyne C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142909931 ED Annotated Anodyne COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142936475 ED Annotated Anodyne COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142936682 ED Annotated Anodyne O=C(N[C@@H]1CCNC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142944797 ED Annotated Anodyne O=C(N[C@H]1CCNC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142945424 ED Annotated Anodyne C#CCn1c(-n2nccn2)nc2c(N)nc(C#CCCCCCC)nc21 ZINC000142950200 ED Annotated Mild Cc1coc(-c2cnn3c(=O)cc(-c4ccc5[nH]nnc5c4)[nH]c23)n1 ZINC000142970019 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)[C@](C)(CO)[C@H]1C[C@H]3O ZINC000142988003 ED Annotated Mild CCN/C(=N\S(=O)(=O)c1cccc(N)c1)N1CC2(C=N1)CCCC2 ZINC000143055036 ED Annotated Mild CNC(=O)c1ccc(OCc2c(-c3ccncn3)noc2C)nc1 ZINC000143149933 ED Annotated Anodyne CC(=O)C[C@]1(O)C(=O)c2c(O)cc(C)c3c(O)cc(O)c(c23)C1=O ZINC000143199532 ED Annotated Anodyne Cc1cnc(-c2cnn3c(=O)cc(-c4ccc5[nH]nnc5c4)[nH]c23)o1 ZINC000143414485 ED Annotated Anodyne C/C(=C\C[C@H](C)/C=C1\CN2CCC[C@@H]2[C@@](C)(O)[C@@H]1O)[C@H](O)[C@H](C)O ZINC000143491381 ED Annotated Anodyne C/C(=C\C[C@H](C)/C=C1\CN2CCC[C@@H]2[C@@](C)(O)[C@H]1O)[C@H](O)[C@H](C)O ZINC000143491806 ED Annotated Anodyne Cn1ccc(-c2cnn3c(=O)cc(-c4ccc5c(cnn5C)c4)[nH]c23)n1 ZINC000143496236 ED Annotated Anodyne Cn1ncc2cc(-c3cc(=O)n4ncc(-c5cc[nH]n5)c4[nH]3)ccc21 ZINC000143507117 ED Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccco3)CC1)C2 ZINC000143524961 ED Annotated Anodyne Cc1cccc(N2CC(c3nccnc3N3CCC(CO)CC3)C2)n1 ZINC000143553646 ED Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccoc3)CC1)C2 ZINC000143555158 ED Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(CCN1CCc3ccccc3C1)C2 ZINC000143586976 ED Annotated Anodyne COC(=O)[C@@H]1c2c(oc3cc(C)cc(O)c3c2=O)SCC[C@@H]1O ZINC000143659991 ED Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc[nH]3)CC1)C2 ZINC000143726252 ED Annotated Anodyne C[C@H](O)C[C@@H]1C[C@@H]2N3COC[C@H]1[C@@H]3C[C@]21C(=O)N(C)c2ccccc21 ZINC000143867119 ED Annotated Anodyne O=c1[nH]c(=O)n(CCc2ccc(Oc3ccccc3)cc2)nc1O ZINC000143903406 ED Annotated Anodyne C[C@H](CO)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)CC[C@@H](O)[C@@]2(C)[C@@H]13 ZINC000144132152 ED Annotated Anodyne C#CCn1c(Cl)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000144150805 ED Annotated Mild Cn1cc(-c2cnc3nnn(Cc4ccn5nccc5c4)c3n2)cn1 ZINC000144233130 ED Annotated Anodyne COCCOc1cc(-c2ccc3nc(NC(C)=O)cn3c2)cnc1N ZINC000144583241 ED Annotated Anodyne NC(=O)[C@H]1CN(c2ccc([C@H]3CC[S@@](=O)CC3)c(F)c2)C(=O)O1 ZINC000144833373 ED Annotated Anodyne Cn1cc(-c2cnc3nnn(Cc4cc5[nH]ncc5s4)c3n2)cn1 ZINC000144838608 ED Annotated Anodyne CSc1ncc2c(n1)-c1c(c(C(N)=O)cn1C1CCNCC1)CC2 ZINC000144859807 ED Annotated Anodyne Cc1ccc(N2CC(c3nccnc3N3CCC(CO)CC3)C2)nc1 ZINC000144875519 ED Annotated Anodyne CC[C@](C)(O)C[C@@H](C)/C=C\[C@@H]1OC2=C(C(=O)O[C@H]2C)[C@H](O)[C@H]1O ZINC000144996212 ED Annotated Anodyne CCC[C@@H]1[C@@H](c2ccccc2)[C@@]2(C#N)C(=O)N[C@@]1(O)CC2(C#N)C#N ZINC000144997132 ED Annotated Mild COc1c(O)cc2c(c1O)C(=O)[C@]1(O)c3ccccc3OC[C@H]1O2 ZINC000014557203 ED Annotated Anodyne COc1c(O)cc2c(c1O)C(=O)[C@@]1(O)c3ccccc3OC[C@@H]1O2 ZINC000014557210 ED Annotated Anodyne OC/C=C\c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](CO)O2 ZINC000014557570 ED Annotated Clean in-man OC/C=C\c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](CO)O2 ZINC000014557573 ED Annotated Clean in-man OC/C=C\c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](CO)O2 ZINC000014557576 ED Annotated Clean in-man OC/C=C\c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](CO)O2 ZINC000014557579 ED Annotated Clean in-man C=C(C=O)[C@H]1C[C@H](OC(=O)/C=C/c2ccc(O)cc2)C(CO)=C1C=O ZINC000014583361 ED Annotated Reactive in-vitro biogenic C=C(C=O)[C@@H]1C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C(CO)=C1C=O ZINC000014583367 ED Annotated Reactive CC(=O)O[C@@H]1[C@H](O)C=C2CCN3Cc4cc5c(cc4[C@@H]1[C@H]23)OCO5 ZINC000014583849 ED Annotated Anodyne C[C@@]1(COC(=O)c2cc(Br)c[nH]2)C[C@@H](C(=O)O)N=CN1 ZINC000014586821 ED Annotated Anodyne C[C@@]1(COC(=O)c2cc(Br)c[nH]2)C[C@H](C(=O)O)N=CN1 ZINC000014586823 ED Annotated Anodyne C[C@]1(COC(=O)c2cc(Br)c[nH]2)C[C@H](C(=O)O)N=CN1 ZINC000014586824 ED Annotated Anodyne COc1cc([C@@](O)(COC(C)=O)COC(=O)C(C)C)c(O)cc1C ZINC000014588653 ED Annotated Anodyne COc1ccc2c(c1OC)[C@@]13CCC(=O)[C@@]4(O)O[C@@H]2C[C@]41N(C)CC3 ZINC000014589332 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H](O)[C@@H]2C[C@@H](OC(=O)/C(C)=C/C)C[C@H]1N2C ZINC000014590329 ED Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H](C)[C@](C)(O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12 ZINC000014594317 ED Annotated Anodyne COc1ccc2c(OC)c3c(nc2c1OC)O[C@H](C(C)(C)O)[C@H]3O ZINC000014611886 ED Annotated Anodyne COc1ccc2c(OC)c3c(nc2c1OC)O[C@@H](C(C)(C)O)[C@H]3O ZINC000014611888 ED Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C=C[C@@H](O)[C@@]2(C)[C@@H]13 ZINC000014611997 ED Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(=O)OC3 ZINC000014614532 ED Annotated Clean C[C@@H]1CC(=O)[C@@]2(O)C3=C(C=C[C@@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000014616090 ED Annotated Anodyne in-vitro C[C@@H]1CC(=O)[C@]2(O)C3=C(C=C[C@@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000014616092 ED Annotated Anodyne in-vitro C[C@H]1CC(=O)[C@]2(O)C3=C(C=C[C@@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000014616093 ED Annotated Mild COc1nc2c3c(ccc2c(OC)c1C[C@H](O)C(C)(C)O)OCO3 ZINC000014618554 ED Annotated Anodyne in-vitro biogenic CO[C@@]12C[C@H]3C(=O)C[C@]1(C)O[C@@H](O2)[C@@H]3COC(=O)c1ccccc1 ZINC000014635878 ED Annotated Anodyne Cc1cc2ccc3c(c2c[n+]1[C@@H](CO)C(=O)O)O[C@@H](C(C)(C)O)C3 ZINC000014636653 ED Annotated Mild COc1c(O)c(OC)c2c(c1OC)C(=O)c1cccc(O)c1C2=O ZINC000014639480 ED Annotated Clean in-vitro COc1cc2c(c(OC)c1O)C(=O)c1cc3c(cc1C2=O)OCO3 ZINC000014639498 ED Annotated Clean COc1cc2c(c(O)c1OC)C(=O)c1cc(O)c(C)c(O)c1C2=O ZINC000014647381 ED Annotated Clean in-man COc1c(O)cc2c(c1OC)C(=O)c1c(cc(C)c(O)c1O)C2=O ZINC000014647419 ED Annotated Clean in-vitro biogenic COc1cc2c(c(OC)c1O)C(=O)c1c(cc(C)c(O)c1O)C2=O ZINC000014647421 ED Annotated Clean COc1cc2c(c(O)c1OC)C(=O)c1c(cc(C)c(O)c1O)C2=O ZINC000014647423 ED Annotated Clean in-vitro biogenic COc1c(O)ccc2c1C(=O)c1c(OC)c(O)c(C)c(O)c1C2=O ZINC000014647471 ED Annotated Clean O[C@]12COc3c(ccc4c3OCO4)[C@H]1Oc1cc3c(cc12)OCO3 ZINC000014648522 ED Annotated Anodyne O=c1ccc2c3c(c(O)cc2o1)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O3 ZINC000014654176 ED Annotated Clean O=c1ccc2c3c(c(O)cc2o1)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O3 ZINC000014654179 ED Annotated Clean CC(C)[C@H]1OC(=O)C=C2C1=C[C@@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13 ZINC000014677139 ED Annotated Anodyne in-vitro biogenic CO[C@H]1C=C[C@]23c4cc5c(cc4[C@H](O)O[C@H]2CN(C)[C@H]3C1)OCO5 ZINC000014679281 ED Annotated Anodyne CO[C@H]1C=C[C@]23c4cc5c(cc4[C@H](O)O[C@H]2CN(C)[C@@H]3C1)OCO5 ZINC000014679283 ED Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](O)O[C@H]2CN(C)[C@@H]3C1)OCO5 ZINC000014679285 ED Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4C(=O)O[C@H]2CN(C)[C@H]3C1)OCO5 ZINC000014679305 ED Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4C(=O)O[C@H]2CN(C)[C@@H]3C1)OCO5 ZINC000014679309 ED Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCNCCCCNCCCN1 ZINC000014681408 ED Annotated Anodyne C[C@@](O)(CO)[C@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 ZINC000014682408 ED Annotated Bother C=C(C)[C@H](O)Cc1c(OC)c2cc3c(c(OC)c2n(C)c1=O)OCO3 ZINC000014682482 ED Annotated Mild COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc(C)cc1=O ZINC000014685163 ED Annotated Anodyne CO[C@]12C[C@@]3(CC[C@@H]1O)CC(=O)c1c4c3c(c(O)cc4cc[n+]1C)O2 ZINC000014685313 ED Annotated Anodyne CO[C@@]12C[C@]3(CC[C@@H]1O)CC(=O)c1c4c3c(c(O)cc4cc[n+]1C)O2 ZINC000014685314 ED Annotated Anodyne Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H](O)[C@H]([C@@]1(C)CO1)O3 ZINC000014689021 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H](O)[C@@H]([C@@]1(C)CO1)O3 ZINC000014689023 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H](O)[C@H]([C@]1(C)CO1)O3 ZINC000014689024 ED Annotated Anodyne in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H](O)[C@@H]([C@]1(C)CO1)O3 ZINC000014689026 ED Annotated Anodyne in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@]1(CO)CO1)O3 ZINC000014689032 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@]1(CO)CO1)O3 ZINC000014689034 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@]1(CO)CO1)O3 ZINC000014689036 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@]1(CO)CO1)O3 ZINC000014689038 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@](C)(O)CO)O3 ZINC000014689056 ED Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@](C)(O)CO)O3 ZINC000014689058 ED Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@](C)(O)CO)O3 ZINC000014689060 ED Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@](C)(O)CO)O3 ZINC000014689062 ED Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H]1OC[C@@](C)(O)[C@@H]1O3 ZINC000014689144 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H]1OC[C@@](C)(O)[C@@H]1O3 ZINC000014689146 ED Annotated Bother in-man O=C(O)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(C(=O)O)oc2=O)C1 ZINC000014692218 ED Annotated Clean CO[C@@H]1C=C[C@]23O[C@H]2CN2CCCc4cc5c(cc4[C@@]23C1)OCO5 ZINC000014692282 ED Annotated Anodyne CO[C@@H]1C=C[C@]23O[C@H]2CN2CCCc4cc5c(cc4[C@]23C1)OCO5 ZINC000014692286 ED Annotated Anodyne CO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCCc1cc2c(cc13)OCO2 ZINC000014692302 ED Annotated Anodyne CO[C@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCCc1cc2c(cc13)OCO2 ZINC000014692303 ED Annotated Anodyne Cc1cc(=O)c2c(O)cc3c(c2o1)[C@H]1CCN(C)C(=O)[C@H]1[C@@H](O)O3 ZINC000014692649 ED Annotated Anodyne O=C1c2c(O)cc(O)cc2O[C@@H](O)[C@]12Cc1cc3c(cc12)OCO3 ZINC000014692680 ED Annotated Clean COC(=O)C[C@@H]1Cc2cc3cc(OC)cc(O)c3c(O)c2C(=O)O1 ZINC000014695550 ED Annotated Anodyne COc1c2c(c(C)c3c(C)coc13)[C@]1(C)O[C@@]2(OC)OC(=O)[C@@H]1O ZINC000014695607 ED Annotated Anodyne CC[C@@H](C)c1nc(OC)c(C(=O)c2ccc(O)cc2)n(OC)c1=O ZINC000014696019 ED Annotated Anodyne CC[C@@H](C)c1nc(OC)c([C@H](O)c2ccc(O)cc2)n(OC)c1=O ZINC000014696027 ED Annotated Anodyne COC1=C(C)C(=O)O[C@@]12C(=O)C(C)=C1CCCCN3C(=O)CC[C@]132 ZINC000014715287 ED Annotated Mild COC1=C(C)C(=O)O[C@@]12C(=O)C(C)=C1CCCCN3C(=O)CC[C@@]132 ZINC000014715291 ED Annotated Mild COc1c(OC)c2ccnc3c4oc(c(c1OC)c23)=CC[C@H](O)CC=4 ZINC000014715552 ED Annotated Anodyne COC(=O)[C@@]1(O)C(OC)=C(OC)C(=O)/C1=C(O)/C=C/c1ccccc1 ZINC000014715909 ED Annotated Mild COc1ccc(C[C@]2(O)COc3cc(OC)cc(O)c3C2=O)cc1 ZINC000014758419 ED Annotated Anodyne COc1cc2c(c(OC)c1O)C(=O)c1ccc(CO)c(O)c1C2=O ZINC000014758469 ED Annotated Clean COc1cc(O)c2c(c1O)C(=O)c1cc(CO)cc(OC)c1C2=O ZINC000014758476 ED Annotated Clean CC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1cc(O)cc(O)c1C2=O ZINC000014758651 ED Annotated Clean COc1cc(O)c2c(c1)C(=O)c1c(O)c(C)c(C(=O)O)c(O)c1C2=O ZINC000014760960 ED Annotated Clean C=C1OC(=O)C2=C1O[C@H]1[C@@H](C)[C@@](C)(C2=O)[C@@H]2CCCC[C@@]2(O)[C@@H]1O ZINC000014765226 ED Annotated Mild N[C@@H](CC[C@H](N)c1nc(C(=O)O)cs1)c1nc(C(=O)O)cs1 ZINC000014766385 ED Annotated Anodyne Cc1cc(=O)c2c(O)cc3c(c2o1)C(=O)c1c(O)cc(O)cc1C3=O ZINC000014768194 ED Annotated Clean in-vitro Cc1cc(=O)c2c(O)c3c(cc2o1)C(=O)c1cc(O)cc(O)c1C3=O ZINC000014768199 ED Annotated Clean in-vitro CC(=O)O[C@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CCC[C@@H]12)C(C)C ZINC000014768922 ED Annotated Anodyne O=C(O)CC(=O)OCC/C=C/C1=C(O)C(=O)c2cccc(O)c2C1=O ZINC000014769765 ED Annotated Mild C#C/C=C\CCC[C@H](O)/C=C/C#CC#CCCCC#CC#C[C@@H](O)CO ZINC000014770713 ED Annotated Mild C#C/C=C\CCC[C@@H](O)/C=C/C#CC#CCCCC#CC#C[C@H](O)CO ZINC000014770715 ED Annotated Mild C#C/C=C\CCC[C@@H](O)/C=C/C#CC#CCCCC#CC#C[C@@H](O)CO ZINC000014770718 ED Annotated Mild COc1cc2c(c(OC)c1O)C(=O)c1cc(C(=O)O)ccc1C2=O ZINC000014775194 ED Annotated Clean COc1cc2c(c(O)c1C)C(=O)[C@](O)(Cc1ccc(O)cc1)CO2 ZINC000014811118 ED Annotated Anodyne COc1cc2c(c(O)c1C)C(=O)[C@@](O)(Cc1ccc(O)cc1)CO2 ZINC000014811120 ED Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(COC(C)=O)cc(O)c1C2=O ZINC000014811259 ED Annotated Clean COc1cc(COC(C)=O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O ZINC000014811263 ED Annotated Clean COC(=O)c1c(C)c2c(c(O)c1O)C(=O)c1cccc(O)c1C2=O ZINC000014814427 ED Annotated Clean COC(=O)c1c(C)c2c(c(O)c1OC)C(=O)c1cccc(O)c1C2=O ZINC000014814429 ED Annotated Clean COC(=O)c1c(C)c2c(c(OC)c1O)C(=O)c1cccc(O)c1C2=O ZINC000014814431 ED Annotated Clean COc1cc2c(c(C)c1C(=O)O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000014814445 ED Annotated Clean in-man endogenous COc1cc(O)c2c(c1)C(=O)c1cc(O)c(C(=O)O)c(C)c1C2=O ZINC000014814455 ED Annotated Clean COC(=O)c1c(OC)cc2c(c1C)C(=O)c1c(ccc(O)c1O)C2=O ZINC000014814467 ED Annotated Clean CC(=O)OC1=CC(=O)c2c(OC(C)=O)ccc(OC(C)=O)c2C1=O ZINC000014815399 ED Annotated Mild CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@](O)(C1)[C@@H](O)C(=O)[C@]32O ZINC000014815531 ED Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C[C@H](C)O)cc(O)c1C2=O ZINC000014819812 ED Annotated Clean COc1cc(C)c2c(c1OC)C(=O)C(=O)C1=C2O[C@@H](C)[C@]1(C)CO ZINC000014824003 ED Annotated Mild COC1=CC(=O)c2c(c(O)c3c4c(cc(=O)oc24)O[C@@H](C)C3)C1=O ZINC000014827824 ED Annotated Mild COc1c(O)c2c(c(O)c1OC)C(=O)C1=C(C[C@H](C)O[C@@H]1C)C2=O ZINC000014827879 ED Annotated Mild COc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C[C@@H](C)O)cc1=O ZINC000014828358 ED Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C[C@H](C)O)cc1=O ZINC000014828362 ED Annotated Anodyne O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2CCO[C@H]2O1 ZINC000014828615 ED Annotated Clean OC[C@](O)(C#Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000014829680 ED Annotated Mild O[C@H]1Cc2cc3c(cc2[C@H]2NCc4c(ccc5c4OCO5)[C@@H]12)OCO3 ZINC000014923008 ED Annotated Anodyne O=c1cc(CCc2ccccc2)oc2c1[C@H](O)[C@H](O)[C@H](O)[C@H]2Cl ZINC000014924379 ED Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1C2=C(C[C@@H]3C[C@@]2(C)C(=O)O3)C(=O)O[C@H]1c1ccoc1 ZINC000014929556 ED Annotated Anodyne COC(=O)[C@](O)(CC(=O)OC[C@@H]1CCN2CCC[C@@H]12)CC(C)C ZINC000014930417 ED Annotated Anodyne Cc1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000014944846 ED Annotated Bother COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H](O)CN)c21 ZINC000014947104 ED Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@H](O)CN)c21 ZINC000014947105 ED Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@H](N)CO)c21 ZINC000014947106 ED Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H](N)CO)c21 ZINC000014947108 ED Annotated Mild C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000014950334 ED Annotated Mild O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC21Oc2cccc3cccc(c23)O1 ZINC000014958773 ED Annotated Anodyne CNC(=O)CCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O ZINC000014959912 ED Annotated Anodyne CC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O ZINC000014959916 ED Annotated Anodyne CC(=O)OC[C@]1(O)[C@H](OC(C)=O)[C@@H](OCc2ccccc2)O[C@@H]1C ZINC000014961956 ED Annotated Anodyne O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000014967158 ED Annotated Bother O=C1[C@H]2C[C@@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000014967162 ED Annotated Bother O=C1[C@@H]2C[C@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000014967168 ED Annotated Bother O=C1[C@H]2C[C@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000014967171 ED Annotated Bother Cc1ccccc1NC(=O)N1C[C@H](O)[C@@H](N(C)Cc2cnccn2)C1 ZINC000014968409 ED Annotated Anodyne CN(C)[C@@H]1CCN(c2nc3nonc3nc2NCc2cccs2)C1 ZINC000014977874 ED Annotated Anodyne CN(C)[C@H]1CCN(c2nc3nonc3nc2NCc2cccs2)C1 ZINC000014977877 ED Annotated Anodyne CN(Cc1ccncn1)c1nc2nonc2nc1N1CCCCCC1 ZINC000014981264 ED Annotated Anodyne Cc1c([C@@H](C)NC(=O)CCN2CCCO2)cnn1-c1ccccn1 ZINC000014981612 ED Annotated Anodyne Cc1c([C@H](C)NC(=O)CCN2CCCO2)cnn1-c1ccccn1 ZINC000014981613 ED Annotated Anodyne O[C@H]1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](O)CC[C@H]2O ZINC000145040700 ED Annotated Anodyne C=C1C[C@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CC(=O)C[C@]57[C@@H]([C@H]2C(=O)[C@H]1C[C@H]37)N4C6 ZINC000145371062 ED Annotated Mild C=C1C[C@]23C[C@@]4(O)[C@@H]5[C@@]6(C)C[C@H](O)C[C@]57[C@@H]([C@H]2C(=O)[C@H]1C[C@H]37)N4C6 ZINC000145371875 ED Annotated Mild CC[C@@]12CC(=O)C3=Nc4ccccc4[C@]3(O)CCN(C[C@H]3O[C@H]31)C2 ZINC000145392645 ED Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H]1[C@@H]1[C@H](/C(=C/C=C/[C@@](C)(O)CO)CO)C[C@@H](O)[C@]21C ZINC000145393624 ED Annotated Anodyne C=C([C@H](O)/C=C/[C@](C)(O)CO)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000145394613 ED Annotated Mild C=C([C@@H](O)/C=C/[C@](C)(O)CO)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000145394809 ED Annotated Mild C=C([C@H](O)/C=C/[C@@](C)(O)CO)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000145395007 ED Annotated Mild C=C([C@@H](O)/C=C/[C@@](C)(O)CO)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000145395211 ED Annotated Mild Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(CCO)nc1 ZINC000145410437 ED Annotated Anodyne O=C(CCCO)CCCCCCCCCC1=N[C@@H](CO)[C@H](O)[C@H]1O ZINC000145484051 ED Annotated Anodyne COCCCNC(=O)Nc1snc(-c2ccc(N)cc2)c1C(N)=O ZINC000145685902 ED Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@@]5(O)[C@H]67)[C@@H]1O ZINC000145959500 ED Annotated Mild COCCO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC[C@H](O)[C@@H]12 ZINC000146571116 ED Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3C(C)(C)O[C@@]4(O)C(=O)[C@]3(C)C(=O)[C@@]23[C@@H]1CC[C@H](C)[C@]34O ZINC000146714558 ED Annotated Anodyne NC(=O)c1cccc2[nH]n(C3CCN(Cc4ccco4)CC3)c(=O)c12 ZINC000146718227 ED Annotated Anodyne Cn1cccc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)c1=O ZINC000146839087 ED Annotated Anodyne Cc1ccc(-c2cccc(N3CCC(NS(C)(=O)=O)CC3)n2)nc1 ZINC000146856251 ED Annotated Anodyne Cc1cccnc1-c1ccnc(N2CCC(NS(C)(=O)=O)CC2)n1 ZINC000146862490 ED Annotated Anodyne C[C@]1(CO)[C@@H](O)C(=O)C[C@]2(C)[C@H]3CCc4cocc4[C@]3(CO)CC[C@@H]12 ZINC000147047301 ED Annotated Anodyne CC(C)[C@@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1 ZINC000147410786 ED Annotated Anodyne CC(C)[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1 ZINC000147410936 ED Annotated Anodyne N#Cc1cc([C@]23CO[C@@H](CO)C[C@H]2CSC(N)=N3)c(F)cc1F ZINC000147749432 ED Annotated Anodyne O=c1c(O)c(CN2CCC[C@@H]2CCO)ccn1Cc1ccccc1 ZINC000147864398 ED Annotated Anodyne CCN(CCN1C=CN(C)/C1=C/N=O)S(=O)(=O)C(F)(F)F ZINC000148111254 ED Annotated Anodyne CC[C@@H](CN1C=CN(C)/C1=C/N=O)NS(=O)(=O)C(F)(F)F ZINC000148117013 ED Annotated Anodyne CC[C@H](CN1C=CN(C)/C1=C/N=O)NS(=O)(=O)C(F)(F)F ZINC000148117207 ED Annotated Anodyne CN1C=CN(CCCN(C)S(=O)(=O)c2ccccc2)/C1=C\N=O ZINC000148125021 ED Annotated Anodyne CCCN(CCN1C=CN(C)/C1=C/N=O)S(=O)(=O)C(F)(F)F ZINC000148127546 ED Annotated Anodyne CN1C=CN(CCCCCNS(=O)(=O)C(F)(F)F)/C1=C\N=O ZINC000148131522 ED Annotated Anodyne CN1C=CN(CCCN(C)S(=O)(=O)C(F)(F)F)/C1=C\N=O ZINC000148132136 ED Annotated Anodyne CCN(CCN1C=CN(C)/C1=C/N=O)S(=O)(=O)c1ccccc1 ZINC000148133513 ED Annotated Anodyne CCN(CCCN1C=CN(C)/C1=C/N=O)S(=O)(=O)C(F)(F)F ZINC000148134533 ED Annotated Anodyne CN1C=CN(COCCN(C)S(=O)(=O)C(F)(F)F)/C1=C\N=O ZINC000148139961 ED Annotated Anodyne COCCn1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)c1 ZINC000148230247 ED Annotated Anodyne C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000148286082 ED Annotated Mild CCc1ncnc(N2CCC[C@@H](CO)C2)c1C#Cc1ccc(N)nc1 ZINC000148837121 ED Annotated Mild CCc1ncnc(N2CCC[C@H](CO)C2)c1C#Cc1ccc(N)nc1 ZINC000148837418 ED Annotated Mild CC[P@]1(=O)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O ZINC000148861181 ED Annotated Anodyne COc1cccc2c1CCN1C(=O)CN=C(c3cccc(=O)[nH]3)C=C21 ZINC000149099817 ED Annotated Anodyne O=C1CN=C(n2cnc(CO)c2)C=C2c3cccc(C4CC4)c3CCN12 ZINC000149107122 ED Annotated Anodyne CCC1(O)CCN(c2ncnc(C)c2C#Cc2ccc(N)nc2)CC1 ZINC000149150172 ED Annotated Mild CCc1ncnc(N2CCC(CO)CC2)c1C#Cc1ccc(N)nc1 ZINC000149156811 ED Annotated Mild CCc1ncnc(N2CCN(C3CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149220118 ED Annotated Mild Cc1ncnc(N2CCN(C3CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149220341 ED Annotated Mild CCc1ncnc(N2CCC(C)(O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149225207 ED Annotated Mild CCc1ncnc(N2CCC(O)CC2)c1C#Cc1ccc(NC)nc1 ZINC000149266638 ED Annotated Mild C[C@@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 ZINC000149290033 ED Annotated Anodyne C[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 ZINC000149292728 ED Annotated Anodyne NC1=N[C@@]2(COC1)c1cc(Br)ccc1OCC21COC1 ZINC000149299677 ED Annotated Anodyne NC1=N[C@]2(COC1)c1cc(Br)ccc1OCC21COC1 ZINC000149299921 ED Annotated Anodyne CCc1ncnc(N2CC[C@@H](O)[C@@H](C)C2)c1C#Cc1ccc(N)nc1 ZINC000149418622 ED Annotated Mild CCc1ncnc(N2CC[C@H](O)[C@@H](C)C2)c1C#Cc1ccc(N)nc1 ZINC000149418842 ED Annotated Mild Cc1ncnc(N2CCn3c(C)cnc3C2)c1C#Cc1ccc(N)nc1 ZINC000149439273 ED Annotated Mild COc1ncn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)n1 ZINC000149506247 ED Annotated Anodyne Cn1c([C@@H]2CCOC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000149647480 ED Annotated Anodyne Cn1c([C@H]2CCOC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000149647688 ED Annotated Anodyne COCCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1 ZINC000149950244 ED Annotated Anodyne COCCOc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 ZINC000149952026 ED Annotated Anodyne CS(=O)(=O)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 ZINC000149968497 ED Annotated Anodyne O=C(O)C1=C/C(=C/C=N\CCc2ccc(O)c(O)c2)C[C@@H](C(=O)O)N1 ZINC000001531190 ED Annotated Mild in-vitro O[C@@]12COc3c(ccc4c3OCO4)[C@@H]1Oc1cc3c(cc12)OCO3 ZINC000001531700 ED Annotated Anodyne in-vitro CCOC(=O)[C@@H]1CN(Cc2ccc(Br)cc2)C(=O)C1=O ZINC000001534034 ED Annotated Anodyne CC(C)COc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1 ZINC000001541374 ED Annotated Anodyne CC[C@@H](C)Oc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1 ZINC000001541375 ED Annotated Anodyne Cc1cc2cc(CP(=O)(O)O)c(C[C@@H](N)C(=O)O)nc2cc1C ZINC000001542745 ED Annotated Anodyne Fc1ccc(C#CCOc2nsnc2C23CN4C[C@H]2[C@H]3C4)cc1 ZINC000001545780 ED Annotated Mild NCCNc1ccc(NCCN)c2c1C(=O)c1ccsc1C2=O ZINC000001551688 ED Annotated Clean CCOC(=O)Nc1cc(N(C)C[C@@H](O)c2ccccc2)c(N)c(N)n1 ZINC000001579453 ED Annotated Anodyne COc1ccc2c(OC)c(CC(=O)C(C)(C)O)c(=O)n(C)c2c1OC ZINC000001585372 ED Annotated Anodyne CN(C)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O ZINC000001592811 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)C(=C)[C@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000001611416 ED Annotated Mild COC(OC)c1cc2c(cc1C(=O)[C@@]13CCC[C@@H]1NC(=O)O3)OCO2 ZINC000001613369 ED Annotated Anodyne CC(=O)O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@H]1O)[C@H]23)OCO4 ZINC000001616171 ED Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(-c1ccc(OC)c(OC)c1)c(N)[n+]2[O-] ZINC000001616422 ED Annotated Anodyne CC(C)NC(=O)OCc1nnn2c1[C@H](OC(=O)NC(C)C)CC2 ZINC000001618339 ED Annotated Anodyne CO[C@]1(O)c2cccc(Cl)c2C(=O)N1C1(C(N)=O)CCCCC1 ZINC000001618847 ED Annotated Anodyne COC(=O)CC[C@@H](NC(=S)N/N=C/c1cccs1)C(=O)OC ZINC000001629681 ED Annotated Mild O=[N+]([O-])c1ccc(CNC2=NNS(=O)(=O)c3ccccc32)cc1 ZINC000001629788 ED Annotated Bother COC(=O)c1cc2cc(OC)c(OC)cc2cc(C(=O)OC)c1=O ZINC000001631903 ED Annotated Anodyne CC(C)(C)NC(=O)C12C3C4C1C1C2C3C41I ZINC000001631974 ED Annotated Anodyne O=C1[C@H](Cl)[C@H](c2ccccc2O)N1n1cnc2ccccc2c1=O ZINC000001632086 ED Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2O)N1n1cnc2ccccc2c1=O ZINC000001632087 ED Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cccc(O)c2)N1n1cnc2ccccc2c1=O ZINC000001632088 ED Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cccc(O)c2)N1n1cnc2ccccc2c1=O ZINC000001632089 ED Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1n1cnc2ccccc2c1=O ZINC000001632090 ED Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1n1cnc2ccccc2c1=O ZINC000001632091 ED Annotated Reactive Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccc(O)cc2)cc1 ZINC000001633073 ED Annotated Reactive Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccc(O)cc2)cc1 ZINC000001633074 ED Annotated Reactive Nc1c(Cl)ncnc1NCCCNc1ncnc(Cl)c1N ZINC000001633618 ED Annotated Anodyne CO[C@H]1C=C[C@@]23c4cc5c(cc4C(=O)O[C@H]2CN(C)[C@H]3C1)OCO5 ZINC000001633842 ED Annotated Anodyne COc1ccc(N(C)CN(C)c2nc(N(C)C)nc(N(C)C)n2)cc1 ZINC000001634365 ED Annotated Clean CC(=O)O[C@@H]1C=C[C@H]2CCN3C(=O)c4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000001634481 ED Annotated Anodyne COc1cc(COC(=O)N2CC[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC ZINC000001634806 ED Annotated Bother COC(=O)C1=C(C)N2CCO[C@]2(C)[C@@H](C(=O)OC)[C@H]1c1ccc[nH]1 ZINC000001635015 ED Annotated Anodyne COc1ccc(-c2nc(-c3cnccn3)n(COCCO)n2)cc1 ZINC000001635118 ED Annotated Anodyne COc1cccc(-c2nc(-c3cnccn3)n(COCCO)n2)c1 ZINC000001635119 ED Annotated Anodyne CCOC(=O)c1cn(CC)c2ccc3c(c2c1=O)S(=O)(=O)C=C3 ZINC000001636350 ED Annotated Anodyne CCOC(=O)c1cn(CC)c2cc3c(cc2c1=O)CCS3(=O)=O ZINC000001636354 ED Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCNCCCCn1ccnc1[N+](=O)[O-] ZINC000001637826 ED Annotated Bother N[C@H]1c2c(Br)sc(Br)c2C(=O)[C@H]1O ZINC000001638078 ED Annotated Anodyne CC(=O)NC(=O)/N=C1\NCCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000001639349 ED Annotated Mild CN(CCCn1ccnc1[N+](=O)[O-])CCCn1ccnc1[N+](=O)[O-] ZINC000001640479 ED Annotated Bother C=C1C[C@@](Cn2ccc(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O ZINC000001642821 ED Annotated Mild Cc1nc(=O)[nH]c2nc3ccc(Cl)cc3c(NCCNCCO)c12 ZINC000001643225 ED Annotated Bother N[C@@H]1c2c(Br)sc(Br)c2[C@H](O)[C@@H]1O ZINC000001644196 ED Annotated Anodyne OCCCc1cc(O)c2c(c1)[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2 ZINC000001645379 ED Annotated Clean OCCCc1cc(O)c2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000001645380 ED Annotated Clean OCCCc1cc(O)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 ZINC000001645381 ED Annotated Clean OCCCc1cc(O)c2c(c1)[C@@H](CO)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000001645382 ED Annotated Clean COc1cc2c(c(OC)c1OC)C(=O)[C@@H]1[C@H]2N1C(=O)NCCCl ZINC000001646050 ED Annotated Reactive CC1(C)OC[C@@H](COC(=O)NCn2cc(-c3ccccc3)nn2)O1 ZINC000001647442 ED Annotated Anodyne O=C(O)CCCC(=O)Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O ZINC000001648813 ED Annotated Anodyne COC(=O)C1=C(N)C2=C(N)Oc3ccccc3[C@H]2CC1=C(C#N)C#N ZINC000001648899 ED Annotated Reactive COc1ccc(/C=C2\N=C3Sc4c([nH]cnc4=O)N3C2=O)cc1 ZINC000001649853 ED Annotated Anodyne CC(=O)OCCn1c(Cc2ccc(Cl)cc2)nn(C(C)=O)c1=O ZINC000001650276 ED Annotated Anodyne Cc1ccc(Cc2n[nH]c(=O)n2N2C(=O)c3ccccc3C2=O)cc1 ZINC000001650729 ED Annotated Anodyne CCOC(=O)C1=CN=C2C(=O)N(c3ccccc3)N(C)[C@@]2(C)C1=N ZINC000001650937 ED Annotated Anodyne COc1ccc(NC(=O)C2=C(SC)[C@@H](C#N)C(=O)N=C2N)cc1 ZINC000001650993 ED Annotated Mild CCOC(=O)N1CCN(Cc2cc(=O)n3ccc(C)cc3n2)CC1 ZINC000001651028 ED Annotated Anodyne COc1ccc(OC)c2c3c([nH]c12)C(=O)Nc1nc(N)nc(N)c1C3 ZINC000001651643 ED Annotated Anodyne CCOC(=O)[C@H](C)c1nc2cc(N3CCOCC3)c(F)cc2[nH]c1=O ZINC000001651698 ED Annotated Anodyne CCOC(=O)[C@@H](C)c1nc2cc(F)c(N3CCOCC3)cc2[nH]c1=O ZINC000001651699 ED Annotated Anodyne CC(C)(C)n1c(=O)[nH]n([C@H]2NN=Cc3cccc4cccc2c34)c1=O ZINC000001652841 ED Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N(CCCN)OCCCN)c(C)c1 ZINC000001653372 ED Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N(CCCCN)OCCCN)c(C)c1 ZINC000001653377 ED Annotated Anodyne CN(C)C(=S)N/N=C\C(=N/NC(=S)N(C)C)c1ccccc1 ZINC000001653424 ED Annotated Mild Cc1oc(N)c(S(=O)(=O)c2cc3ccccc3[n+]([O-])c2N)c1C ZINC000001653553 ED Annotated Anodyne CCCCN1CC[C@](O)(c2cc(C(=O)O)[nH]c2-c2cc(C)no2)C1=O ZINC000001653629 ED Annotated Anodyne Cn1cc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc2n1 ZINC000001654561 ED Annotated Anodyne CC(=O)Nc1ccc(OCC(=N)NNC(=O)c2ccncc2)cc1 ZINC000001655313 ED Annotated Reactive NCCCN(CCCN)CCc1cn(C(=O)c2ccccc2)cn1 ZINC000001655827 ED Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@H](O)[C@@H](OC)C=C3CC[N+](C)(C2)[C@H]31 ZINC000001656530 ED Annotated Bother CC(=O)c1c(C)cn(S(=O)(=O)/N=C(\O)Nc2nncs2)c1C ZINC000001657919 ED Annotated Mild O=C1c2c(Br)sc(Br)c2[C@@H](O)[C@H]1O ZINC000001658020 ED Annotated Anodyne CC(=O)n1nc(-c2ccccc2)n(/N=C/c2ccc([N+](=O)[O-])o2)c1=O ZINC000001658059 ED Annotated Mild O=C1c2c(Br)sc(Br)c2C(=O)C1(O)O ZINC000001658694 ED Annotated Anodyne O=S(=O)(CC#CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001659047 ED Annotated Mild N=c1n(C(=O)N2CCCC2)c2cc(Cl)ccc2n1C1=NCCN1 ZINC000001659119 ED Annotated Anodyne CCOC(=O)Nc1c(C#N)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000001662817 ED Annotated Mild COC(=O)c1c(O)ccc2c1[C@]1(Cc3ccccc3C1=O)[C@@H](O)O2 ZINC000001663073 ED Annotated Anodyne COC(=O)c1c(O)ccc2c1[C@]1(Cc3ccccc3C1=O)[C@H](O)O2 ZINC000001663074 ED Annotated Anodyne COC(=O)c1c(O)ccc2c1[C@@]1(Cc3ccccc3C1=O)[C@@H](O)O2 ZINC000001663075 ED Annotated Anodyne COC(=O)c1c(O)ccc2c1[C@@]1(Cc3ccccc3C1=O)[C@H](O)O2 ZINC000001663076 ED Annotated Anodyne COCCOC(=O)c1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000001663374 ED Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(COc3cc(O)c(O)c(O)c3C1=O)C2 ZINC000001663632 ED Annotated Clean CC1(C)S[C@H]2[C@@H](C(=O)O)N=C(Cc3ccccc3)N2[C@@H]1C(=O)O ZINC000001702533 ED Annotated Anodyne CO[C@@]12C[C@@]34CCCN3C[C@@H](O1)c1cc3c(cc1[C@H]4[C@@H]2O)OCO3 ZINC000001726656 ED Annotated Anodyne COCCN1C(=O)C(=O)[C@@H](C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000001839572 ED Annotated Anodyne COCCN1C(=O)C(=O)[C@H](C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 ZINC000001839573 ED Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)F)N=C(CC)OC(N2CCOCC2)=N1 ZINC000001856279 ED Annotated Anodyne O=C(C(Cl)=C(N1CCOCC1)N1CCOCC1)C(Cl)Cl ZINC000001856744 ED Annotated Reactive O=C1C(NCCc2ccc(O)c([N+](=O)[O-])c2)=CC(=O)c2[nH]cnc21 ZINC000001856841 ED Annotated Mild O=C1C[C@H](c2ccco2)C2(C(=O)NC(=O)NC2=O)[C@H](c2ccco2)C1 ZINC000001857930 ED Annotated Anodyne CCc1n[nH]c(=O)n1CCCCCCCCn1c(CC)n[nH]c1=O ZINC000001858000 ED Annotated Anodyne CSc1c(C(=O)Nc2ccc(Cl)cc2)c(N)n(N)c(=O)c1C#N ZINC000001858362 ED Annotated Mild CSc1c(C(=O)Nc2ccc(C)cc2)c(N)n(N)c(=O)c1C#N ZINC000001858386 ED Annotated Mild Cc1c(C)c2c(c(N)c1C#N)C(=O)N(NC(=O)c1ccccc1)C2=O ZINC000001859608 ED Annotated Mild O=c1/c(=C/c2ccccn2)sc2nc3cc4c(cc3n12)OCCO4 ZINC000001860111 ED Annotated Anodyne CCOC(=O)[C@]12O[C@](OCC)(CC1(OCC)OCC)C1(CC1)C2=O ZINC000001860235 ED Annotated Anodyne CCOC(=O)[C@@]12O[C@@](OCC)(CC1(OCC)OCC)C1(CC1)C2=O ZINC000001860237 ED Annotated Anodyne O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(n1cncn1)n1cncn1 ZINC000001860598 ED Annotated Anodyne CN(C)c1ccc(/C=C2\N=C(N/N=C/c3ccccc3O)NC2=O)cc1 ZINC000001863388 ED Annotated Mild CSc1nnc(-c2cccc(NC(=S)Nn3cnnc3)c2)o1 ZINC000001951577 ED Annotated Anodyne C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]21 ZINC000015060024 ED Annotated Mild in-man endogenous C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 ZINC000015060025 ED Annotated Mild in-man endogenous C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]21 ZINC000015060026 ED Annotated Mild in-man endogenous C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 ZINC000015060027 ED Annotated Mild in-man endogenous C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@H](C)[C@H]2[C@@H]2OC(=O)C(=C)[C@H]12 ZINC000015060214 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@H](C)[C@H]2[C@@H]2OC(=O)C(=C)[C@H]12 ZINC000015060215 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)[C@@H](C)[C@H]2[C@@H]2OC(=O)C(=C)[C@H]12 ZINC000015060216 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)[C@H](C)[C@H]2[C@@H]2OC(=O)C(=C)[C@H]12 ZINC000015060217 ED Annotated Mild COc1ccc(OC[C@@H](O)CN(C)C)c(CNCCSC)c1 ZINC000015062179 ED Annotated Anodyne COc1ccc(OC[C@H](O)CN(C)C)c(CNCCSC)c1 ZINC000015062181 ED Annotated Anodyne Cc1cc(C)n(CC(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)n1 ZINC000015064356 ED Annotated Anodyne Cc1cc(C)n(CC(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)n1 ZINC000015064357 ED Annotated Anodyne CN1CCC(N2CCC[C@@H](C(=O)NCCCn3cccn3)C2)CC1 ZINC000015065358 ED Annotated Anodyne CN1CCC(N2CCC[C@H](C(=O)NCCCn3cccn3)C2)CC1 ZINC000015065359 ED Annotated Anodyne COCCN(C(=O)C[C@H]1C(=O)NCCN1CCC(C)C)C(C)C ZINC000015065521 ED Annotated Anodyne COCCN(C(=O)C[C@@H]1C(=O)NCCN1CCC(C)C)C(C)C ZINC000015065522 ED Annotated Anodyne Cc1cnccc1CN(C)c1nc2nonc2nc1N1CCOCC1 ZINC000015066877 ED Annotated Anodyne Cn1nc(C(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3)C2)ccc1=O ZINC000015071849 ED Annotated Anodyne Cn1nc(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3)C2)ccc1=O ZINC000015071851 ED Annotated Anodyne CC(=O)N1CCC(N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)CC1 ZINC000015073707 ED Annotated Anodyne CC(=O)N1CCC(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)CC1 ZINC000015073708 ED Annotated Anodyne CCn1ccnc1CN[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000015075289 ED Annotated Anodyne CCn1ccnc1CN[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000015075290 ED Annotated Anodyne CN(C)[C@@H]1CCN(c2nc3nonc3nc2NCc2ccccc2)C1 ZINC000015077804 ED Annotated Anodyne CN(C)[C@H]1CCN(c2nc3nonc3nc2NCc2ccccc2)C1 ZINC000015077806 ED Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C(=O)C=CC(C)(C)[C@H]1CO ZINC000015111323 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H](O)CCC(C)(C)[C@H]1CO ZINC000015111355 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@@](C)(CO)[C@H]1CO)COC3=O ZINC000015111380 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@](C)(CO)[C@H]1CO)COC3=O ZINC000015111382 ED Annotated Mild in-vitro biogenic COC(=O)/C(I)=C\I ZINC000015119186 ED Annotated Anodyne COC1=CC(=O)[C@@]23CCN(Cc4c2cc2c(c4OC)OCO2)[C@@H]3C1 ZINC000015122223 ED Annotated Mild N=C(N)NCC[C@H]1OC(=O)c2oc3ccnc4ccc(O)c(c21)c43 ZINC000015122234 ED Annotated Anodyne O=C1c2cc3c(c(O)c2C(=O)c2c(O)ccc(O)c21)[C@@H]1CCO[C@@H]1O3 ZINC000015147611 ED Annotated Clean O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@]2(O)CCO[C@@H]2O1 ZINC000015147620 ED Annotated Clean C[C@H](O)[C@@H]1C[N+]2(C)CC[C@]34C(=C(C(=O)O)[C@H]1C[C@@H]32)Nc1ccccc14 ZINC000015149245 ED Annotated Bother COc1c(C[C@H](OC(C)=O)C(C)(C)O)c(=O)n(C)c2ccccc12 ZINC000015149435 ED Annotated Anodyne O=C1C2=C(C(=O)c3c(O)cccc31)[C@]1(O)C[C@H]2C(=O)c2c(O)cccc21 ZINC000015151352 ED Annotated Mild C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C[C@@]3(C)CC(=O)[C@@H](CC(=O)C1)O3)[C@@H]2O ZINC000015165431 ED Annotated Mild C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC[C@@]4(CCCC(C)(C)[C@]34O)[C@@]2(O)CC1 ZINC000015198546 ED Annotated Mild C/C1=C/[C@@H]2OC(=O)[C@@]3(C)[C@H]2[C@@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)C(C)C ZINC000015200264 ED Annotated Mild C/C1=C/[C@@H]2OC(=O)[C@@]3(C)[C@H]2[C@@H](C[C@@]2(C)OC1=CC2=O)O[C@@]3(O)C(C)C ZINC000015200266 ED Annotated Mild COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3C(=O)C2=O ZINC000015203749 ED Annotated Anodyne COc1cc2c(cc1C(N)=O)[C@]13C[C@@H](OC)CC=C1CCN3CC2 ZINC000015203818 ED Annotated Anodyne CO[C@H]1C=CC2=CCN3C(=O)C(=O)c4cc5c(cc4[C@]23C1)OCO5 ZINC000015203890 ED Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@@H](O)C=C1CCN3C[C@H]2O ZINC000015204053 ED Annotated Anodyne COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@@H](CC(C)=O)CC3 ZINC000015204297 ED Annotated Mild COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@@H](C[C@H](C)O)CC3 ZINC000015204311 ED Annotated Mild COc1c(O)c(O)c2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4 ZINC000015216488 ED Annotated Clean in-vitro biogenic O=c1c(O)c(/C=C\CO)ccc2c(/C=C/CO)c(O)c(O)c(O)c12 ZINC000015217355 ED Annotated Clean CCC[C@@H]1O[C@@H](CC(=O)O)C[C@@]23O[C@@]12C(=O)c1c(O)cccc1C3=O ZINC000015217860 ED Annotated Clean in-vitro CCC[C@H]1O[C@@H](CC(=O)O)C[C@@]23O[C@@]12C(=O)c1c(O)cccc1C3=O ZINC000015217862 ED Annotated Clean in-vitro CCC[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O ZINC000015217875 ED Annotated Mild in-man CCC[C@@H]1O[C@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O ZINC000015217876 ED Annotated Mild in-man CCC[C@H]1O[C@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O ZINC000015217878 ED Annotated Mild in-man C/C=C/c1c(O)c(O)cc2c1[C@](C)(NC(=O)/C=C/C(=O)O)C(=O)O2 ZINC000015219724 ED Annotated Clean C/C=C/c1c(O)c(O)cc2c1[C@@](C)(NC(=O)/C=C/C(=O)O)C(=O)O2 ZINC000015219725 ED Annotated Clean in-vitro COc1cc(OC)c2c(c1O)C(=O)C1=C(CO[C@@](C)(OC)C1)C2=O ZINC000015248742 ED Annotated Mild CCO[C@@]1(C)C[C@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@@H]2CO1 ZINC000015248770 ED Annotated Clean COc1cc2cc3c(c(OC)c2c(O)c1C)C(=O)[C@@H](O)[C@@](C)(O)C3 ZINC000015256036 ED Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000015256493 ED Annotated Mild C[C@@]12CC[C@H]3[C@@](CC1=O)(C2)[C@@H](C(=O)O)[C@@H]1[C@]2(C)C(=O)O[C@]31CC[C@@H]2O ZINC000015256667 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000015266204 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(C)=O)[C@@H]3C1)OCO5 ZINC000015266208 ED Annotated Anodyne CC(=O)O[C@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@@H]3C1)OCO5 ZINC000015266240 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC)N(C[C@H]2O)[C@H]3C1)OCO5 ZINC000015266261 ED Annotated Anodyne CC(=O)O[C@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000015267012 ED Annotated Anodyne COc1cc2c(c(OC)c1O)CN1C[C@H](O)[C@]23CC[C@H](OC)C[C@@H]13 ZINC000015267939 ED Annotated Anodyne CC#CC#C/C=C1/O[C@]2(CCCCO2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000015274166 ED Annotated Mild O=C(c1cc2ncc(Cl)cn2n1)N1CCc2[nH]c(=O)sc2CC1 ZINC000150165661 ED Annotated Anodyne COc1ccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 ZINC000150244764 ED Annotated Anodyne CC(C)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000150327692 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc2nccnc2c1 ZINC000150338577 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccc2nccnc2c1 ZINC000150338578 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCc1ccccc1 ZINC000150338581 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NCc1ccccc1 ZINC000150338582 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccc1O ZINC000150338599 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccccc1O ZINC000150338600 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccn1 ZINC000150338605 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccccn1 ZINC000150338606 ED Annotated Anodyne CCCCNC(=O)N/N=C/c1ccc2c(c1)[n+]([O-])c(C)c(C)[n+]2[O-] ZINC000150575451 ED Annotated Reactive C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)[C@]1(O)CCC2=O ZINC000153271926 ED Annotated Mild CCOC(=O)Cc1c(C)nc2nc(NCc3cccs3)nn2c1O ZINC000015668937 ED Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3cc(F)cc(F)c3)nc2n1 ZINC000015668987 ED Annotated Anodyne COc1cccc(CNc2nc3nc4c(c(O)n3n2)CCC4)c1OC ZINC000015669037 ED Annotated Anodyne O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)N1CCCCCC1 ZINC000015681016 ED Annotated Anodyne O=C1C=CC=C/C1=C\NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000015885062 ED Annotated Reactive O=C1C=CC=C/C1=C\NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000015885064 ED Annotated Reactive C[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000015890263 ED Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000015890267 ED Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000015890273 ED Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000015890288 ED Annotated Anodyne C[C@H]1CCC[C@H](C)N1C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000015890293 ED Annotated Anodyne CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](C)NC(=O)Cc1ccccc1 ZINC000015924785 ED Annotated Anodyne CC1(C)Oc2ccc(C(=O)NNC=C3C=CC(=O)C=C3)cc2NC1=O ZINC000015935949 ED Annotated Reactive CCCOC(=O)N[C@@H]1C(=O)N2C(C(=O)OCCC)=C(C)CS[C@H]12 ZINC000015937279 ED Annotated Anodyne Cc1nc2nc(C)c(NS(=O)(=O)c3cccs3)c(O)n2n1 ZINC000015942107 ED Annotated Anodyne COC1=C/C(=C/NNC(=O)Cc2ccccc2)C=C([N+](=O)[O-])C1=O ZINC000015952751 ED Annotated Reactive COC1=C/C(=C/NNC(=O)[C@@H]2COc3ccccc3O2)C=CC1=O ZINC000015952876 ED Annotated Reactive COC1=C/C(=C/NNC(=O)[C@H]2COc3ccccc3O2)C=CC1=O ZINC000015952877 ED Annotated Reactive C=CCC1=C/C(=C\C=C2\NC(=O)C([N+](=O)[O-])=C(O)N2)C=C(OC)C1=O ZINC000015952970 ED Annotated Mild COC1=C/C(=C\NNC(=O)c2cc(=O)[nH]c3ccccc23)C(=O)C=C1 ZINC000015953036 ED Annotated Reactive O=C(Cn1cc(C(F)(F)F)ccc1=O)NN/C=C1\C=CC=CC1=O ZINC000015953039 ED Annotated Reactive CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000015953303 ED Annotated Anodyne O=C1C=C/C(=C/NNC(=S)Nc2ccccc2[N+](=O)[O-])C=C1O ZINC000015961986 ED Annotated Mild Cc1ccc(S(=O)(=O)Nc2c(C)nc3nc(C)nn3c2O)c(C)c1 ZINC000015973623 ED Annotated Anodyne CCCCNC(=O)C(=O)NN=Cc1cccc(Br)c1 ZINC000015973678 ED Annotated Anodyne aggregator COC1=CC=C/C(=C\NNC(=O)c2cc3c(OC)cccc3[nH]2)C1=O ZINC000015973786 ED Annotated Reactive COC1=C/C(=C/NNc2nn3cnnc3c3ccccc23)C=CC1=O ZINC000015974484 ED Annotated Mild CCOC1=C/C(=C/NNC(=O)c2cccs2)C=C([N+](=O)[O-])C1=O ZINC000015974592 ED Annotated Reactive CNC(=O)NC(=O)CSc1nc(O)c(C#N)c(-c2cccs2)n1 ZINC000015985674 ED Annotated Mild O=C(N/N=C\c1ccc(N2CCOCC2)o1)c1cccc([N+](=O)[O-])c1 ZINC000015989513 ED Annotated Reactive COc1ccc(/C=N\n2c(=O)c(C(C)(C)C)nn3cnnc23)cc1 ZINC000015989665 ED Annotated Mild COc1c(O)c(OC)c2c(c1OC)C(=O)c1c(O)cccc1C2=O ZINC000155255715 ED Annotated Clean CN1C(=O)/C(=C(O)\C=C\C=C\C=C\C=C\C=C\C(=O)O)C(=O)[C@@H]1CO ZINC000155486362 ED Annotated Mild C=C1C(=O)O[C@@H]2C/C(CO)=C\CC/C(COC(=O)[C@]3(C)CO3)=C/C[C@H]12 ZINC000155832555 ED Annotated Mild C=C(CO)C(=O)OC/C1=C\C[C@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C\CC1 ZINC000155832822 ED Annotated Mild C=C(CO)C(=O)OC/C1=C\C[C@@H]2C(=C)C(=O)O[C@@H]2C/C(CO)=C\CC1 ZINC000155832946 ED Annotated Mild CO[C@@H]1C=C[C@]23O[C@@H]2CN2CCCc4cc5c(cc4[C@]23C1)OCO5 ZINC000155934171 ED Annotated Anodyne CO[C@@H]1C=C[C@]23O[C@@H]2CN2CCCc4cc5c(cc4[C@@]23C1)OCO5 ZINC000155934398 ED Annotated Anodyne C=C(C)C(=O)O/C1=C/C(C=O)=C\CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12 ZINC000156034247 ED Annotated Reactive CCNC(=O)CCc1c(C)c2cc(OC)c(O)c(C=O)c2oc1=O ZINC000164988872 ED Annotated Anodyne Cc1nn(Cc2noc(C(=O)NC(C)C)n2)c(C)c1Br ZINC000016579078 ED Annotated Anodyne COC1=C/C(=C/NNC(=O)c2c(C)nc3cc(C)ccn23)C=CC1=O ZINC000016667668 ED Annotated Reactive Cc1ccn2c(=O)nc(SCC(=O)NC3CCCCC3)nc2c1 ZINC000016689508 ED Annotated Anodyne O=C(O)c1ccc(S(=O)(=O)NN/C=C2\C=Nc3ccccc32)cc1 ZINC000016951444 ED Annotated Anodyne C[C@@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)[C@H]1O ZINC000165250587 ED Annotated Mild Nc1nc(-n2cccn2)nc(OCC(F)(F)F)c1Br ZINC000165818139 ED Annotated Anodyne CO[C@]12C[C@@]3(CC[C@H]1O)CC(=O)c1c4c3c(c(O)cc4cc[n+]1C)O2 ZINC000165825147 ED Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cc(Br)ccc12 ZINC000165945019 ED Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(Br)cc12 ZINC000165968882 ED Annotated Anodyne C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C[C@@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@H]2O ZINC000166161534 ED Annotated Mild CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](O)(CC[C@@H]12)[C@@H]43 ZINC000166288723 ED Annotated Anodyne O=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1ccc(CO)cn1 ZINC000166644252 ED Annotated Anodyne COc1ccc(C2(Nc3ncc(C(=O)NO)cn3)CC2)cc1OC ZINC000166668264 ED Annotated Anodyne COc1cc(OC)cc(C2(Nc3ncc(C(=O)NO)cn3)CC2)c1 ZINC000166670301 ED Annotated Anodyne O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCOCC2)nc1 ZINC000166674279 ED Annotated Anodyne C=C(C)[C@H]1CC(=O)C[C@@]23O[C@]4(C)C[C@@H]5OC(=O)[C@@H]([C@@H]5[C@@H]4C2=O)[C@@H]3C1 ZINC000166757770 ED Annotated Mild O=C1[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2S(=O)(=O)N1CCCCc1ccncc1 ZINC000167785580 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2S(=O)(=O)N1CCCCc1ccncc1 ZINC000167785686 ED Annotated Anodyne COCCNCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1 ZINC000168684796 ED Annotated Anodyne CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCSCC3)cc21 ZINC000169290078 ED Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc(CO)nn3)[C@@H]2CC1 ZINC000169291580 ED Annotated Anodyne C[C@H]1C[C@@H](C)C(=O)C2=C3O[C@H]4[C@H](C)C[C@@]3(OC2=O)[C@@H](/C=C\C1=O)[C@H]4O ZINC000169292138 ED Annotated Mild C[C@H]1C[C@@H](C)C(=O)C2=C3O[C@@H]4[C@H](C)C[C@@]3(OC2=O)[C@@H](/C=C\C1=O)[C@H]4O ZINC000169292139 ED Annotated Mild CC[C@H]1[C@@H]2C[C@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@H]([C@H]2[C@H]5O)N3[C@@H]1O ZINC000169292662 ED Annotated Anodyne in-man CC[C@@H]1[C@@H]2C[C@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@H]([C@H]2[C@H]5O)N3[C@@H]1O ZINC000169292663 ED Annotated Anodyne in-man CC[C@@H]1[C@H](O)N2[C@H]3C[C@@H]1[C@H]1[C@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1O ZINC000169292664 ED Annotated Anodyne in-man CC[C@H]1[C@H](O)N2[C@H]3C[C@@H]1[C@H]1[C@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1O ZINC000169292665 ED Annotated Anodyne in-man O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(F)cc1 ZINC000169293439 ED Annotated Anodyne O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(F)cc1 ZINC000169293440 ED Annotated Anodyne O=C(COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(F)cc1 ZINC000169293442 ED Annotated Anodyne CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@H]([C@H]2[C@H]5O)N3[C@@H]1O ZINC000169293945 ED Annotated Anodyne CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@H]([C@H]2[C@H]5O)N3[C@@H]1O ZINC000169293946 ED Annotated Anodyne CN(CCc1ccccc1)c1n[n+]([O-])c2cc3c(cc2[n+]1[O-])CCC3 ZINC000169294439 ED Annotated Anodyne CCc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169294566 ED Annotated Anodyne CCc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169294569 ED Annotated Anodyne CC(=O)N[C@@H]1C/C=C\CCC(=O)N[C@H](c2ccccc2)COC1=O ZINC000169294635 ED Annotated Anodyne COc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169294835 ED Annotated Anodyne COc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169294836 ED Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169295463 ED Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169295465 ED Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169295468 ED Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169295469 ED Annotated Anodyne C[C@]12C[C@H](O)CC(CO)(CO)[C@H]1[C@H](O)C[C@@]13C[C@H]4[C@@H](C[C@@H]12)[C@@]4(C)C3 ZINC000169296081 ED Annotated Anodyne COC(=O)C(C(=O)OC)[C@H]1O[C@@]23COCC[C@@]2(C)[C@@H]3c2ccccc21 ZINC000169297261 ED Annotated Anodyne COC(=O)C(C(=O)OC)[C@H]1O[C@@]23COCC[C@]2(C)[C@@H]3c2ccccc21 ZINC000169297263 ED Annotated Anodyne C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)C=CC2=O ZINC000169298397 ED Annotated Mild Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169298700 ED Annotated Anodyne Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169298701 ED Annotated Anodyne Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169298702 ED Annotated Anodyne Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169299414 ED Annotated Anodyne Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169299415 ED Annotated Anodyne Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169299416 ED Annotated Anodyne O=C1C[C@@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@@H]2C[C@@H]6[C@@H]5[C@@H]43 ZINC000169300185 ED Annotated Anodyne O=C1C[C@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@@H]2C[C@@H]6[C@@H]5[C@@H]43 ZINC000169300186 ED Annotated Anodyne Cc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1C ZINC000169300559 ED Annotated Anodyne Cc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1C ZINC000169300560 ED Annotated Anodyne COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 ZINC000169300652 ED Annotated Anodyne COc1ccc([C@@H](C)N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 ZINC000169300658 ED Annotated Anodyne COc1ccc([C@H](C)N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 ZINC000169300659 ED Annotated Anodyne CN1O[C@H](n2cc3cc(-c4ccccc4)oc3nc2=O)C[C@@H]1CO ZINC000169300673 ED Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1C(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169301725 ED Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169301727 ED Annotated Anodyne C[C@H]1CCC[C@H](C)N1C(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169301728 ED Annotated Anodyne COc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169301777 ED Annotated Anodyne COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169301779 ED Annotated Anodyne COc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169301780 ED Annotated Anodyne CCN1CCN(C2=C(N(C)C(C)=O)C(=O)c3ccccc3C2=O)CC1 ZINC000169302736 ED Annotated Mild Cc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169303577 ED Annotated Anodyne Cc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2 ZINC000169303579 ED Annotated Anodyne C=CCNC1=C(NCCN(CC)CC)C(=O)c2ccccc2C1=O ZINC000169303688 ED Annotated Mild CC(=O)N[C@@]12C=CC(=O)C=C[C@H]1c1c(cc(O)c(O)c1O)C[C@@H]2C ZINC000169303759 ED Annotated Mild C=CCNC1=C(N2CCN(CC)CC2)C(=O)c2ccccc2C1=O ZINC000169303939 ED Annotated Mild O=C(Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1O)c1cnccn1 ZINC000169304004 ED Annotated Anodyne COC1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000169304184 ED Annotated Mild COC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O ZINC000169304603 ED Annotated Mild CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169304906 ED Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169304908 ED Annotated Anodyne NC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O ZINC000169305424 ED Annotated Mild COc1ccc(Nc2cc(NCCN)nnc2C(N)=O)nc1C(C)C ZINC000169308340 ED Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169309306 ED Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169309308 ED Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](c2ccco2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169309309 ED Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@H](c2ccco2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169309310 ED Annotated Anodyne NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccccc1 ZINC000169309405 ED Annotated Anodyne Cc1ccc(Cc2c(NC(N)=S)nn3c(=O)[nH]c(=S)[nH]c23)cc1 ZINC000169309417 ED Annotated Anodyne NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(O)cc1 ZINC000169309421 ED Annotated Anodyne NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1cccs1 ZINC000169309427 ED Annotated Anodyne O=C(O)c1cc(O)c(O)cc1-c1cc2ccc(O)c(O)c2oc1=O ZINC000169309748 ED Annotated Clean C/C(NCCOc1ccccc1)=C1/C(=O)[C@@H]2CCCC(=O)N2C1=O ZINC000169310875 ED Annotated Mild CCN1C(=O)[C@@H]2[C@@H](c3cccc(F)c3)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O ZINC000169311264 ED Annotated Anodyne COC(=O)c1ccc(CNC(=O)COC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1 ZINC000169311740 ED Annotated Anodyne COC(=O)c1ccc(CNC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC000169311742 ED Annotated Anodyne O=c1[nH][nH]c(=O)c2c(-c3ccccc3)n(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000169312887 ED Annotated Bother COC(=O)c1cc2c(c(S(N)(=O)=O)c1)Oc1ccccc1C(=O)N2 ZINC000169314969 ED Annotated Anodyne CN1CCN(Cc2ccccc2C(F)(F)F)[C@@H](C2=NCCN2)C1 ZINC000169316061 ED Annotated Anodyne CC(=O)C1=C(O)/C(=C(\C)Nc2ccc([N+](=O)[O-])cc2)C(=O)OC1=O ZINC000169316274 ED Annotated Reactive Cc1ccc2c(c1)[C@]1(C)C=C(NC(=O)CCN(C)C)C(=O)C[C@@H]1O2 ZINC000169316326 ED Annotated Mild Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CN3CCCC3)[C@@H]1O2 ZINC000169316335 ED Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN(C)C)[C@@H]1O2 ZINC000169316338 ED Annotated Anodyne CN1C(=O)C[C@@](CCCN2C(=O)C=CC2=O)(c2ccccc2)C1=O ZINC000169316457 ED Annotated Anodyne CN1C(=O)C[C@](CCCN2C(=O)C=CC2=O)(c2ccccc2)C1=O ZINC000169316458 ED Annotated Anodyne CN(C)CCCn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 ZINC000169316546 ED Annotated Anodyne CCOC(=O)n1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 ZINC000169316548 ED Annotated Anodyne CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(N(C)C)cc2)C(=O)OC1=O ZINC000169316778 ED Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NC(=N)N)c2)C(=O)OC1=O ZINC000169316780 ED Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NC=O)c2)C(=O)OC1=O ZINC000169316782 ED Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(NC=O)cc2)C(=O)OC1=O ZINC000169316784 ED Annotated Reactive CC(=O)Nc1ccccc1N/C(C)=C1\C(=O)OC(=O)C(C(C)=O)=C1O ZINC000169316787 ED Annotated Reactive CC(=O)Nc1ccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169316791 ED Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NC(N)=O)c2)C(=O)OC1=O ZINC000169316793 ED Annotated Reactive COC(=O)N(C)c1ncc(CO)c(CO)c1OCc1ccccc1 ZINC000169317746 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(C)C[C@@H](c2cc(OC)c(C)cc2OC)C1=O ZINC000169318758 ED Annotated Anodyne CCOC(=O)[C@H]1CN(C)C[C@@H](c2cc(OC)c(C)cc2OC)C1=O ZINC000169318759 ED Annotated Anodyne Cc1cn2c(nc1=O)O[C@@H]1[C@H](F)[C@H]2O[C@@H]1COCc1ccccc1 ZINC000169319349 ED Annotated Anodyne CCN(C[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2)C(C)(C)C ZINC000169319482 ED Annotated Anodyne CCN(C[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2)C(C)(C)C ZINC000169319484 ED Annotated Anodyne CC(C)(C)[N+](C)(C)C[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 ZINC000169319507 ED Annotated Bother CC(C)(C)[N+](C)(C)C[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 ZINC000169319509 ED Annotated Bother CNc1cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169320151 ED Annotated Reactive COc1ccc(N(C)/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169320195 ED Annotated Reactive CCN(CC)CCCNc1c(NCCCN(CC)CC)c(=O)c1=O ZINC000169320859 ED Annotated Anodyne CC(=O)OCCn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 ZINC000169320907 ED Annotated Anodyne CC(=O)OCn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 ZINC000169320917 ED Annotated Anodyne N[C@@H](Cc1c[nH]cn1)C(=O)COc1c(F)c(F)c(F)c(F)c1F ZINC000169321766 ED Annotated Anodyne O=C(O)C(=O)Nc1cc2c(=O)cc(C(=O)O)[nH]c2c2ccccc12 ZINC000169323070 ED Annotated Bother O=C1CC[C@@H](N2C(=O)c3ccc(Nc4ccccc4)cc3C2=O)C(=O)N1 ZINC000169323704 ED Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccc(Nc4ccccc4)cc3C2=O)C(=O)N1 ZINC000169323706 ED Annotated Anodyne C=C1c2c(O)c(C)c(O)c(C(C)=O)c2O[C@@]12C=C(C(=O)O)C(=O)C2 ZINC000169323850 ED Annotated Mild C=C1c2c(O)c(C)c(O)c(C(C)=O)c2O[C@]12C=C(C(=O)O)C(=O)C2 ZINC000169323852 ED Annotated Mild O=S(=O)(N/N=C/c1cccc[n+]1[O-])c1cccc2ccccc12 ZINC000169324661 ED Annotated Mild O=S(=O)(N/N=C/c1cccc[n+]1[O-])c1ccc2ccccc2c1 ZINC000169324662 ED Annotated Mild CN1CNS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc21 ZINC000169325236 ED Annotated Anodyne CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1c(O)ccc(C(=O)O)c1O)OC2=O ZINC000169325343 ED Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1c(O)ccc(C(=O)O)c1O)OC2=O ZINC000169325347 ED Annotated Anodyne O=C1N[C@@H]2[C@@H](N3CCCC3)CCC[C@H]2N(Cc2ccccc2)C1=O ZINC000169325647 ED Annotated Anodyne CC(=O)N(C)c1ccc(/N=N/c2c(C)[nH]n(C(N)=S)c2=O)cc1 ZINC000169325955 ED Annotated Clean CN(C)CC(C)(C)CNc1c(NCC(C)(C)CN(C)C)c(=O)c1=O ZINC000169326105 ED Annotated Anodyne Cc1nnc(S(=O)(=O)CC(=O)c2ccc3c(c2)OCCO3)s1 ZINC000169327205 ED Annotated Anodyne COC(=O)C[C@@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1 ZINC000169327429 ED Annotated Anodyne COC(=O)C[C@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1 ZINC000169327431 ED Annotated Anodyne COC(=O)C[C@@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1 ZINC000169327433 ED Annotated Anodyne COC(=O)C[C@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1 ZINC000169327435 ED Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@@H]2C=C[C@@H](n3ccc(=O)[nH]c3=O)C2)c1 ZINC000169327490 ED Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@H]2C=C[C@@H](n3ccc(=O)[nH]c3=O)C2)c1 ZINC000169327491 ED Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@@H]2C=C[C@H](n3ccc(=O)[nH]c3=O)C2)c1 ZINC000169327493 ED Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@H]2C=C[C@H](n3ccc(=O)[nH]c3=O)C2)c1 ZINC000169327494 ED Annotated Anodyne CCCCC[C@@H](O)c1cn(C/C=C2\OC(=O)C(OC)=C2OC)nn1 ZINC000169327669 ED Annotated Anodyne CCCCC[C@H](O)c1cn(C/C=C2\OC(=O)C(OC)=C2OC)nn1 ZINC000169327672 ED Annotated Anodyne COC1=C(OC)/C(=C/Cn2cc(Cc3ccccc3)nn2)OC1=O ZINC000169327680 ED Annotated Anodyne CC(=O)OC[C@H]1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1 ZINC000169328220 ED Annotated Anodyne Cc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2C ZINC000169328555 ED Annotated Anodyne Cc1cccc(OC(=O)c2ccc3c(c2)S(=O)(=O)NCN3C)c1 ZINC000169328559 ED Annotated Anodyne Cc1nn(C)c2nc3cc(C(N)=O)ccc3c(NCCCN(C)C)c12 ZINC000169331942 ED Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1/C(=N/O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000169332011 ED Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1/C(=N/O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000169332012 ED Annotated Mild CN1CCC(=O)[C@]2(CCN(C)[C@@]23C(=O)Nc2ccc(Cl)cc23)C1 ZINC000169332058 ED Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169333354 ED Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169333357 ED Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169333359 ED Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(CCF)c1 ZINC000169333453 ED Annotated Anodyne COC(=O)C(C(=O)OC)[C@@H]1O[C@]23COCC[C@@]2(C)[C@@H]3c2ccccc21 ZINC000169333463 ED Annotated Anodyne COC(=O)C(C(=O)OC)[C@H]1O[C@]23COCC[C@@]2(C)[C@@H]3c2ccccc21 ZINC000169333466 ED Annotated Anodyne C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C/C(C)=C/C(=O)[C@@H](O)CC(=O)C1)[C@H]2O ZINC000169333563 ED Annotated Mild C[C@@H]1CCC(=O)C2=C3O[C@@]4(C)[C@H](C)C[C@@]3(OC2=O)[C@H](/C=C\C1=O)[C@H]4O ZINC000169335532 ED Annotated Mild CC(=O)O[C@@H]1N=C(c2ccccc2F)c2c(C)nn(C)c2N(C)C1=O ZINC000169335571 ED Annotated Anodyne CC(=O)O[C@H]1N=C(c2ccccc2F)c2c(C)nn(C)c2N(C)C1=O ZINC000169335572 ED Annotated Anodyne CNc1cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169336158 ED Annotated Reactive CCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000169336383 ED Annotated Anodyne CCNC(=S)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000169336415 ED Annotated Anodyne CC(=O)C1=C(O)/C(=C(\O)Nc2ccc([N+](=O)[O-])cc2)C(=O)OC1=O ZINC000169336568 ED Annotated Reactive COC(=O)c1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169336569 ED Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(N(C)C)cc2)C(=O)OC1=O ZINC000169336584 ED Annotated Reactive CC(=O)Oc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169336592 ED Annotated Reactive CC(=O)Nc1ccccc1N/C(O)=C1\C(=O)OC(=O)C(C(C)=O)=C1O ZINC000169336628 ED Annotated Reactive CC(=O)Nc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169336631 ED Annotated Reactive Cc1c(C(=O)O)[nH]c2ccc3[nH]c(C(=O)O)c(C)c(=O)c3c2c1=O ZINC000169336977 ED Annotated Bother [N-]=[N+]=NC[C@@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169337180 ED Annotated Clean [N-]=[N+]=NC[C@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169337181 ED Annotated Clean [N-]=[N+]=NC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169337183 ED Annotated Clean [N-]=[N+]=NC[C@H]1O[C@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169337185 ED Annotated Clean C=CCn1c(C)cs/c1=N\N=C\c1ccc(S(=O)(=O)O)o1 ZINC000169338352 ED Annotated Mild Cc1ccc(S(=O)(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000169338713 ED Annotated Mild NS(=O)(=O)c1cc2c(cc1Cl)N(C(=O)c1ccco1)CC2 ZINC000169339071 ED Annotated Anodyne CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](C/C(=N\O)c2ccccc2)cn1C ZINC000169339283 ED Annotated Mild CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](C/C(=N\O)c2ccccc2)cn1C ZINC000169339284 ED Annotated Mild CC[C@@H]1C(=O)OC[C@H]1Cc1c[n+](C/C(=N\O)c2ccccc2)cn1C ZINC000169339285 ED Annotated Mild CC[C@H]1C(=O)OC[C@H]1Cc1c[n+](C/C(=N\O)c2ccccc2)cn1C ZINC000169339286 ED Annotated Mild CC[C@@H](C(=O)NO)[C@@H](CO)Cc1c[n+](Cc2ccc(C)cc2)cn1C ZINC000169339317 ED Annotated Bother CC[C@H](C(=O)NO)[C@@H](CO)Cc1c[n+](Cc2ccc(C)cc2)cn1C ZINC000169339319 ED Annotated Bother CC[C@@H](C(=O)NO)[C@H](CO)Cc1c[n+](Cc2ccc(C)cc2)cn1C ZINC000169339321 ED Annotated Bother CC[C@H](C(=O)NO)[C@H](CO)Cc1c[n+](Cc2ccc(C)cc2)cn1C ZINC000169339322 ED Annotated Bother CS(=O)(=O)N(CC(=O)NCC(F)(F)F)c1ccccc1Cl ZINC000169340003 ED Annotated Anodyne COC(=O)c1cccnc1N1CC[C@@H](NC2CCCCC2)[C@@H](O)C1 ZINC000169341214 ED Annotated Anodyne COC(=O)c1cccnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1 ZINC000169341216 ED Annotated Anodyne C[C@@H](CN(C)Cn1c(=O)oc2cc(Cl)ccc21)N1CCOCC1 ZINC000169341735 ED Annotated Anodyne C[C@H](CN(C)Cn1c(=O)oc2cc(Cl)ccc21)N1CCOCC1 ZINC000169341736 ED Annotated Anodyne NC1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000169341912 ED Annotated Mild Cc1nnc(NC(=O)N[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000169342530 ED Annotated Anodyne C=C1C(=O)[C@@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)C=CC2=O ZINC000169344192 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)C=CC2=O ZINC000169344194 ED Annotated Mild Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)O)c(Cl)c1)=N2 ZINC000169344959 ED Annotated Anodyne Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)O)cc1F)=N2 ZINC000169344962 ED Annotated Anodyne Nc1nc(=O)c2nc(CNc3ccc(C(=O)O)c(Cl)c3)cnc2[nH]1 ZINC000169344964 ED Annotated Anodyne O=S(=O)(N/N=C/c1c2ccccc2cc[n+]1[O-])c1ccccc1 ZINC000169345313 ED Annotated Mild CCOC[C@@H]1COc2cc3c(=O)c(C(=O)OCC)c[nH]c3cc2O1 ZINC000169345468 ED Annotated Anodyne CCOC[C@H]1COc2cc3c(=O)c(C(=O)OCC)c[nH]c3cc2O1 ZINC000169345469 ED Annotated Anodyne ClC[C@@H]1[C@@H]2O[C@H]3[C@@H](OC[C@@H]13)[C@H]2n1cnc2c(Cl)ncnc21 ZINC000169346351 ED Annotated Reactive ClC[C@H]1[C@@H]2O[C@H]3[C@@H](OC[C@H]13)[C@H]2n1cnc2c(Cl)ncnc21 ZINC000169346354 ED Annotated Reactive ClC[C@@H]1[C@@H]2O[C@@H]3[C@@H]1CO[C@H]3[C@H]2n1cnc2c(Cl)ncnc21 ZINC000169346355 ED Annotated Reactive CCN(CC)C(=O)N1CCN(C2=NC(=O)[C@@H](c3ccccc3)O2)CC1 ZINC000169346490 ED Annotated Anodyne CCN(CC)C(=O)N1CCN(C2=NC(=O)[C@H](c3ccccc3)O2)CC1 ZINC000169346491 ED Annotated Anodyne C=CCOC(=O)N1CCc2c(c(=O)oc3c(C=O)c(O)ccc23)C1 ZINC000169347626 ED Annotated Mild C=CCOC(=O)N1CCc2c(c(=O)oc3c(C(=O)O)c(O)ccc23)C1 ZINC000169348331 ED Annotated Mild Nc1ccc2c(c1)C(=O)N(O)C(=O)[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000169349220 ED Annotated Anodyne Nc1ccc2c(c1)C(=O)N(O)C(=O)[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000169349221 ED Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1C(=O)N(O)C(=O)c2cc(F)ccc21 ZINC000169349222 ED Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1C(=O)N(O)C(=O)c2cc(F)ccc21 ZINC000169349223 ED Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1C(=O)N(O)C(=O)c2c(F)cccc21 ZINC000169349227 ED Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1C(=O)N(O)C(=O)c2c(F)cccc21 ZINC000169349229 ED Annotated Anodyne CCOC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H]1c3ccccc3[C@@H]2N1N=O ZINC000169349254 ED Annotated Anodyne O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc2c1OCO2 ZINC000169349260 ED Annotated Bother O=C(NC1CNC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000169349303 ED Annotated Bother C=C(CO)C(=O)OC/C1=C/C[C@@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C/CC1 ZINC000169349330 ED Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@]3(C)CO3)=C\C[C@H]12 ZINC000169349636 ED Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/COC(=O)C(C)C)CC/C=C(\CO)C(=O)C[C@@H]12 ZINC000169349690 ED Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\COC(=O)C(C)C)CC/C=C(/CO)C(=O)C[C@@H]12 ZINC000169349691 ED Annotated Mild Cn1c(=O)c2ccccc2c(=O)n1CCCNC(=O)OC(C)(C)C ZINC000169350351 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccccc1Cl ZINC000169350450 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccccc1Cl ZINC000169350451 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccccc1Cl ZINC000169350452 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccccc1Cl ZINC000169350453 ED Annotated Anodyne CN1C(=O)[C@H]2N[C@H](/C=C/c3cccc(Cl)c3)N(C)[C@H]2N(C)C1=O ZINC000169351000 ED Annotated Anodyne CN1C(=O)[C@H]2N[C@@H](/C=C/c3cccc(Cl)c3)N(C)[C@H]2N(C)C1=O ZINC000169351002 ED Annotated Anodyne CC(=O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O ZINC000169351071 ED Annotated Clean CC(=O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O ZINC000169351072 ED Annotated Clean Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)no[n+]1[O-] ZINC000169352095 ED Annotated Reactive COc1ccc2c(Br)c3n(c2c1)C[C@@H](O)CNC3=O ZINC000169352559 ED Annotated Anodyne COc1ccc2c(Br)c3n(c2c1)C[C@H](O)CNC3=O ZINC000169352560 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@@H]1c1ccc(Cl)cc1Cl ZINC000169353555 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(N)=N[C@@H]1c1ccc(Cl)cc1Cl ZINC000169353556 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@H]1c1ccc(Cl)cc1Cl ZINC000169353557 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(N)=N[C@H]1c1ccc(Cl)cc1Cl ZINC000169353558 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@@H]1c1ccc(Br)cc1 ZINC000169353604 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(N)=N[C@@H]1c1ccc(Br)cc1 ZINC000169353605 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@H]1c1ccc(Br)cc1 ZINC000169353606 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(N)=N[C@H]1c1ccc(Br)cc1 ZINC000169353607 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(Cl)cc1 ZINC000169353666 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(Cl)cc1 ZINC000169353667 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(Cl)cc1 ZINC000169353668 ED Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(Cl)cc1 ZINC000169353669 ED Annotated Anodyne CC(C)CO[C@@H]1C=CC(=O)[C@@H](Cn2cc(CCCCl)nn2)O1 ZINC000169353697 ED Annotated Reactive CC(C)CCO[C@@H]1C=CC(=O)[C@@H](Cn2cc(CCCC=O)nn2)O1 ZINC000169353703 ED Annotated Mild COc1nc(C[C@@H](O)COCc2ccccc2)c(OC)c(OC)n1 ZINC000169353947 ED Annotated Anodyne COc1nc(C[C@H](O)COCc2ccccc2)c(OC)c(OC)n1 ZINC000169353948 ED Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC[C@@H]1Cc2ccsc2CO1 ZINC000169354265 ED Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NC[C@@H]1Cc2ccsc2CO1 ZINC000169354266 ED Annotated Anodyne CC[C@@H](CO)[C@@H]1C[C@H]2N[C@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@H](O)[C@H]31 ZINC000169355018 ED Annotated Anodyne CC[C@@H](CO)[C@H]1C[C@@H]2N[C@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@H](O)[C@H]31 ZINC000169355019 ED Annotated Anodyne CC[C@@H](CO)[C@H]1C[C@H]2N[C@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@H](O)[C@H]31 ZINC000169355020 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1C[C@@H](O)COCc1ccccc1 ZINC000169355513 ED Annotated Anodyne CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000169355784 ED Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169355855 ED Annotated Anodyne CC[C@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169355856 ED Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169355857 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C2/C(=O)[C@@H]3CC[C@@H]2[C@@H]3Cl)cc1 ZINC000169356372 ED Annotated Reactive Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@@H]3CC[C@@H]2[C@@H]3Cl)cc1 ZINC000169356373 ED Annotated Reactive Cc1ccc(S(=O)(=O)N/N=C2/C(=O)[C@H]3CC[C@@H]2[C@@H]3Cl)cc1 ZINC000169356374 ED Annotated Reactive Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@H]3CC[C@@H]2[C@@H]3Cl)cc1 ZINC000169356375 ED Annotated Reactive Cc1cc(C)n2nc(S[C@@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)nc2n1 ZINC000169356448 ED Annotated Anodyne CCCC[C@@H](O)Cn1cc(CN2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000169356749 ED Annotated Anodyne CCCC[C@H](O)Cn1cc(CN2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000169356750 ED Annotated Anodyne C/C=C/C=C/C(=O)O[C@H]1CC/C=C\[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000169358266 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3O[C@@H]4C=C[C@@H]3CC4)cc2)C(=O)O1 ZINC000169359907 ED Annotated Anodyne COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000169361194 ED Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C[C@@H]2C=C1[C@@](O)(c1ccccc1)c1ccccn1 ZINC000169362551 ED Annotated Anodyne C[C@@H]1CO[C@@H]2C(Cn3ccnc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362647 ED Annotated Mild C[C@@H]1CO[C@H]2C(Cn3ccnc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362649 ED Annotated Mild C[C@H]1CO[C@H]2C(Cn3ccnc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362651 ED Annotated Mild C[C@@H]1CO[C@@H]2C(CN3CCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362759 ED Annotated Mild C[C@@H]1CO[C@H]2C(CN3CCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362760 ED Annotated Mild C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@H]1C[C@@H](O)[C@]2(C)O ZINC000169364205 ED Annotated Reactive C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@H]1C[C@@H](O)[C@@]2(C)O ZINC000169364206 ED Annotated Reactive C[C@@H]1CN1C1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2C[C@@H]32)C1=O ZINC000169365760 ED Annotated Mild C[C@H]1CN1C1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2C[C@@H]32)C1=O ZINC000169365761 ED Annotated Mild COc1ccc(C#C[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000169366325 ED Annotated Mild COc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 ZINC000169366616 ED Annotated Anodyne COc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)c1 ZINC000169366617 ED Annotated Anodyne C[C@@H]1CN([C@@H](C(=O)NC[C@@H]2N=Cc3cncnc32)c2ccccc2)C1=O ZINC000169367645 ED Annotated Anodyne C[C@H]1CN([C@@H](C(=O)NC[C@@H]2N=Cc3cncnc32)c2ccccc2)C1=O ZINC000169367646 ED Annotated Anodyne C[C@@H]1CN([C@H](C(=O)NC[C@@H]2N=Cc3cncnc32)c2ccccc2)C1=O ZINC000169367647 ED Annotated Anodyne C[C@H]1CN([C@H](C(=O)NC[C@@H]2N=Cc3cncnc32)c2ccccc2)C1=O ZINC000169367648 ED Annotated Anodyne CN1CC[C@@H]2c3ccccc3N3[C@@H](O)C[C@H](C4=CCOC4=O)C[C@H]1[C@@H]23 ZINC000169369667 ED Annotated Anodyne CN1CC[C@H]2c3ccccc3N3[C@@H](O)C[C@H](C4=CCOC4=O)C[C@H]1[C@@H]23 ZINC000169369668 ED Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4C(=O)O[C@@H]2CN(C)[C@@H]3C1)OCO5 ZINC000169375901 ED Annotated Anodyne C=C1CC[C@@H]2OC(=O)C(C)=C2[C@@H]2[C@@H]1C1=C(C[C@@](C)(O)C1=O)C[C@@]2(C)O ZINC000169399818 ED Annotated Mild COC(=O)C1=CC(OC)=CC(=O)[C@]12OC(=O)c1c(O)cc(C)cc1O2 ZINC000169411040 ED Annotated Mild O=C/C=C\c1ccc2c(/C=C\CO)c(O)c(O)c(O)c2c(=O)c1O ZINC000169413089 ED Annotated Reactive O=C/C=C/c1ccc2c(/C=C\CO)c(O)c(O)c(O)c2c(=O)c1O ZINC000169413105 ED Annotated Reactive O=C/C=C\c1ccc2c(/C=C/CO)c(O)c(O)c(O)c2c(=O)c1O ZINC000169413118 ED Annotated Reactive N[C@@H](CCC1=CN2CCCC[C@@H]2[C@@H]2CC[C@@H](C(=O)O)N=C12)C(=O)O ZINC000169437410 ED Annotated Anodyne C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000169614577 ED Annotated Mild in-man C=C1C[C@]23C[C@@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000169614578 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000169614579 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000169614580 ED Annotated Mild in-man C[C@H](CO)[C@H]1OC(=O)C=C2[C@@]3(C)CC=C[C@]4(C)C(=O)O[C@@H]([C@@H]43)[C@H]3O[C@@]231 ZINC000169640675 ED Annotated Anodyne C[C@H]1C[C@@H](C)C(O)=C2C(=O)O[C@@]34C[C@@H](C)[C@H]5O[C@@]23[C@H](C[C@@H]4[C@H]5O)C1=O ZINC000169640882 ED Annotated Anodyne C/C1=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000169641130 ED Annotated Anodyne C/C1=C/C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000169644831 ED Annotated Anodyne C[C@H](O)[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2CO ZINC000169645292 ED Annotated Anodyne CC(=O)O[C@H](C)[C@]1(C)COC(=O)C[C@@]23CC(=O)O[C@]2(C)CC[C@@]13O ZINC000169646503 ED Annotated Anodyne C[C@H]1C[C@@H]([C@@H]2CC[C@]34O[C@H](CC[C@]35C[C@@H](C)C(=O)O5)CN24)OC1=O ZINC000169646770 ED Annotated Anodyne C[C@H]1C(=O)[C@@]23CC[C@@H]1C[C@@]21O[C@@H]2C(C)(C)C=CC(=O)[C@]23COC1=O ZINC000169647606 ED Annotated Mild C=C1[C@@H]2CC[C@H]3C(C)=C[C@]2(C[C@@H](O)[C@@]2(O)[C@H]1CC(=O)C2(C)C)[C@@H]3O ZINC000169649807 ED Annotated Mild CC[C@@]12CC[C@@H]3N(C)c4ccccc4[C@@]34CCN(C[C@H](O)[C@H]1O)[C@@H]24 ZINC000169650815 ED Annotated Anodyne CC#CC#C/C=C1\O[C@]2(CCCCO2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000169650932 ED Annotated Mild N[C@@H](CCC1=CN2CCCC[C@H]2[C@@H]2CC[C@@H](C(=O)O)N=C12)C(=O)O ZINC000169651133 ED Annotated Anodyne C[C@H](O)[C@@H]1C(=O)O[C@@H]2[C@H]1C1=CCCN3CCC[C@]14[C@H]2C[C@H]1CO[C@@]34C1 ZINC000169652609 ED Annotated Anodyne C=C(CO)C(=O)OC/C1=C\CC/C(C)=C/[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2C1 ZINC000169653706 ED Annotated Mild CC[C@@]12CC3=Nc4ccccc4[C@](O)(CCN(C[C@H]4O[C@H]41)C2)C3=O ZINC000169654737 ED Annotated Anodyne CC1=COC(=O)[C@]23CO[C@@H]4[C@]12C(=O)C[C@@]1(C3)[C@@H](O)CC[C@@H](C)[C@]41C ZINC000169654916 ED Annotated Anodyne CO[C@@H]1/C=C(\C)C[C@H](OC(C)=O)[C@]23O[C@@H](O)[C@H]([C@H]1O)[C@H]2CC3(C)C ZINC000169659545 ED Annotated Anodyne C[C@@H](O)[C@@]12CN3CC[C@@]45c6ccccc6N(C)[C@H]4[C@@H]3C[C@@H]1[C@H]5C(=O)O2 ZINC000169663507 ED Annotated Anodyne CON1C(=O)[C@@]2(C[C@@H]3N=C(C(C)=O)[C@@H]4C[C@H]2OC[C@H]34)c2ccccc21 ZINC000169664493 ED Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)OC[C@]32C(=O)[C@H]3[C@@H]([C@H]2CO)C3(C)C)[C@@H]1O ZINC000169669458 ED Annotated Mild CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000169671242 ED Annotated Anodyne C=C(C)[C@@H]1CC(=O)[C@H]2[C@H](C1)[C@@H]1C(=O)O[C@@H]3C[C@]4(C)O[C@H]2C(=O)[C@@H]4[C@H]13 ZINC000169672571 ED Annotated Mild C[C@]1(O)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@H](O)[C@@]2(O)C1 ZINC000169674372 ED Annotated Anodyne NS(=O)(=O)c1ccc(/N=C/[C@@H]2C(=O)Nc3cccc(CO)c32)cc1 ZINC000169685129 ED Annotated Mild NS(=O)(=O)c1ccc(/N=C/[C@H]2C(=O)Nc3cccc(CO)c32)cc1 ZINC000169685130 ED Annotated Mild O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)C[C@@H](O)C2 ZINC000169685709 ED Annotated Bother O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)C[C@H](O)C2 ZINC000169685710 ED Annotated Bother O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)[C@@H](O)CC2 ZINC000169685711 ED Annotated Bother O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)[C@H](O)CC2 ZINC000169685713 ED Annotated Bother C=CCOC(=O)[C@@H]1C(C)=Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000169686796 ED Annotated Mild C=CCOC(=O)[C@H]1C(C)=Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000169686797 ED Annotated Mild C=CCOC(=O)[C@@H]1C(C)=Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000169686798 ED Annotated Mild C=CCOC(=O)[C@H]1C(C)=Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000169686799 ED Annotated Mild O=C1C=Cc2c/c(=C3\N=C4c5ccccc5CC[C@@H]4S3)c(=O)oc2=C1 ZINC000169686944 ED Annotated Mild O=C1C=Cc2c/c(=C3\N=C4c5ccccc5CC[C@H]4S3)c(=O)oc2=C1 ZINC000169686945 ED Annotated Mild O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCCC1=CCCCC1 ZINC000169687585 ED Annotated Anodyne COCCN1C(=O)C(=O)[C@H](C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000169687773 ED Annotated Anodyne COCCN1C(=O)C(=O)[C@@H](C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 ZINC000169687774 ED Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)N2C=CS(=O)(=O)N[C@@H]2S1 ZINC000169687790 ED Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)N2C=CS(=O)(=O)N[C@H]2S1 ZINC000169687791 ED Annotated Anodyne CC1=Nc2nnnn2[C@@H](c2ccncc2)[C@@H]1C(=O)Nc1cccnc1 ZINC000169687840 ED Annotated Anodyne CC1=Nc2nnnn2[C@H](c2ccncc2)[C@@H]1C(=O)Nc1cccnc1 ZINC000169687841 ED Annotated Anodyne CC1=Nc2nnnn2[C@@H](c2ccncc2)[C@H]1C(=O)Nc1cccnc1 ZINC000169687842 ED Annotated Anodyne CC1=Nc2nnnn2[C@H](c2ccncc2)[C@H]1C(=O)Nc1cccnc1 ZINC000169687843 ED Annotated Anodyne C=c1[nH]n(-c2cccc(C(=O)O)c2)c(=O)/c1=C\C=C/c1ccccc1 ZINC000169687930 ED Annotated Anodyne CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000169688004 ED Annotated Anodyne CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000169688005 ED Annotated Anodyne CCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000169688006 ED Annotated Anodyne O=[N+]([O-])c1ccc([C@@H]2NS(=O)(=O)NC3=[N+]2CCCCC3)cc1 ZINC000169688188 ED Annotated Bother O=[N+]([O-])c1ccc([C@H]2NS(=O)(=O)NC3=[N+]2CCCCC3)cc1 ZINC000169688189 ED Annotated Bother C[C@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@@]3(O4)[C@H]12 ZINC000169688214 ED Annotated Anodyne C[C@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@H](C(=O)O)[C@H]4C=C[C@@]3(O4)[C@H]12 ZINC000169688215 ED Annotated Anodyne C/C(=N\C[C@@H]1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O ZINC000169688362 ED Annotated Mild C/C(=N\C[C@H]1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O ZINC000169688363 ED Annotated Mild C=c1cc2[nH]c(=O)/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=N)n2o1 ZINC000169688373 ED Annotated Clean C=c1cc2[nH]c(=O)/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=N)n2o1 ZINC000169688374 ED Annotated Clean CCOc1c[c-](/C=N/NC(=O)c2cccs2)cc([N+](=O)[O-])c1=O ZINC000169689121 ED Annotated Reactive CCOC(=O)C(/C=N/C(N)=N/c1nc2ccccc2o1)C(=O)OCC ZINC000169689123 ED Annotated Mild O=c1[nH]c(=S)[nH]c(=O)[c-]1/N=N/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000169689147 ED Annotated Clean CC/C(=N\C[C@@H]1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O ZINC000169689351 ED Annotated Mild CC/C(=N\C[C@H]1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O ZINC000169689352 ED Annotated Mild CN(C)/C(=C\N1CCN(C=O)CC1)c1nc(-c2ccccc2)oc1O ZINC000169689391 ED Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@@]2(CO)C=C[C@@H]3O2)cc1 ZINC000169690185 ED Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@@]2(CO)C=C[C@H]3O2)cc1 ZINC000169690186 ED Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@]2(CO)C=C[C@@H]3O2)cc1 ZINC000169690187 ED Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@]2(CO)C=C[C@H]3O2)cc1 ZINC000169690188 ED Annotated Anodyne N=C(N)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O ZINC000169690412 ED Annotated Anodyne CC1=NC(=O)N[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169690545 ED Annotated Anodyne CC1=NC(=O)N[C@H](c2ccc(O)cc2)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169690546 ED Annotated Anodyne CC1=NC(=O)N[C@@H](c2ccc(O)cc2)[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169690547 ED Annotated Anodyne CC1=NC(=O)N[C@H](c2ccc(O)cc2)[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000169690548 ED Annotated Anodyne CC(=O)c1cccc(OC(=O)C2=C3NS(=O)(=O)C=CN3C=CC2)c1 ZINC000169691446 ED Annotated Anodyne C=CC[c-]1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1=O ZINC000169691551 ED Annotated Mild O=c1cc[c-](/C=N/NC(=S)Nc2ccccc2[N+](=O)[O-])cc1O ZINC000169691631 ED Annotated Mild CCOC(=O)[C@@H]1C(COC(=O)/C=C/c2ccco2)=NC(=O)N[C@@H]1C ZINC000169691962 ED Annotated Anodyne CCOC(=O)[C@H]1C(COC(=O)/C=C/c2ccco2)=NC(=O)N[C@@H]1C ZINC000169691963 ED Annotated Anodyne CCOC(=O)[C@@H]1C(COC(=O)/C=C/c2ccco2)=NC(=O)N[C@H]1C ZINC000169691964 ED Annotated Anodyne CCOC(=O)[C@H]1C(COC(=O)/C=C/c2ccco2)=NC(=O)N[C@H]1C ZINC000169691965 ED Annotated Anodyne CC1=C(n2nnc([N+](=O)[O-])n2)[C@@H](c2cccnc2)[C-](C#N)C(=N)O1 ZINC000169692000 ED Annotated Mild CC1=C(n2nnc([N+](=O)[O-])n2)[C@H](c2cccnc2)[C-](C#N)C(=N)O1 ZINC000169692001 ED Annotated Mild O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000169692348 ED Annotated Mild O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C(=O)N1/N=C\c1ccc([N+](=O)[O-])o1 ZINC000169692349 ED Annotated Mild O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1)[C@H]1C=C[C@H]2[C@H]2C[C@@H]21 ZINC000169692350 ED Annotated Mild O=C1[C@@H]2[C@@H](C(=O)N1/N=C\c1ccc([N+](=O)[O-])o1)[C@H]1C=C[C@H]2[C@H]2C[C@@H]21 ZINC000169692351 ED Annotated Mild O=c1cc(Nc2cc(O)n(-c3ccccc3Cl)c2O)[nH]c(=O)[nH]1 ZINC000169693298 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccccc1 ZINC000169694028 ED Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000169694031 ED Annotated Mild COC(=O)C1=CN=C[C@H](C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000169694250 ED Annotated Anodyne COC(=O)C1=CN=C[C@@H](C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000169694251 ED Annotated Anodyne O=C1Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2C1=O ZINC000169697454 ED Annotated Anodyne CCc1ncnc(NC)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000169697500 ED Annotated Mild CC(=O)Nc1nnc(CCSCCc2nnc(N)s2)s1 ZINC000169698247 ED Annotated Anodyne N#CCC(=O)N1CCC[C@@]12CCCN(c1ncnc3nc[nH]c13)C2 ZINC000169699032 ED Annotated Mild N#CCC(=O)N1CCC[C@]12CCCN(c1ncnc3nc[nH]c13)C2 ZINC000169699033 ED Annotated Mild N#CCC(=O)N1CCCC[C@@]12CCN(c1ncnc3nc[nH]c13)C2 ZINC000169699034 ED Annotated Mild N#CCC(=O)N1CCCC[C@]12CCN(c1ncnc3nc[nH]c13)C2 ZINC000169699035 ED Annotated Mild COc1cc(Br)cc([C@@H]2NC[C@@H](C(=O)O)S2)c1O ZINC000169699716 ED Annotated Clean COc1cc(Br)cc([C@H]2NC[C@@H](C(=O)O)S2)c1O ZINC000169699717 ED Annotated Clean COc1cc(Br)cc([C@@H]2NC[C@H](C(=O)O)S2)c1O ZINC000169699718 ED Annotated Clean COc1cc(Br)cc([C@H]2NC[C@H](C(=O)O)S2)c1O ZINC000169699719 ED Annotated Clean O=C(O)c1ccc(Br)c([C@@H]2N[C@@H](C(=O)O)CS2)c1O ZINC000169699720 ED Annotated Clean O=C(O)c1ccc(Br)c([C@H]2N[C@@H](C(=O)O)CS2)c1O ZINC000169699721 ED Annotated Clean O=C(O)c1ccc(Br)c([C@@H]2N[C@H](C(=O)O)CS2)c1O ZINC000169699722 ED Annotated Clean O=C(O)c1ccc(Br)c([C@H]2N[C@H](C(=O)O)CS2)c1O ZINC000169699723 ED Annotated Clean COc1cccc([C@@H]2c3oc(CO)cc(=O)c3OC(=N)[C@@H]2C#N)c1 ZINC000169700565 ED Annotated Mild COc1cccc([C@H]2c3oc(CO)cc(=O)c3OC(=N)[C@@H]2C#N)c1 ZINC000169700566 ED Annotated Mild C[S@@](=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 ZINC000169701210 ED Annotated Anodyne C[S@](=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 ZINC000169701211 ED Annotated Anodyne CN(C)CC(=O)C1=CCC(C)(C)C[C@@H]1OC(=O)c1ncc(C#N)[nH]1 ZINC000169701497 ED Annotated Mild CN(C)CC(=O)C1=CCC(C)(C)C[C@H]1OC(=O)c1ncc(C#N)[nH]1 ZINC000169701498 ED Annotated Mild C[C@]1(c2cc(N[C@@H]3CCOC3)ccc2F)N=C(N)COC[C@@H]1F ZINC000169702877 ED Annotated Anodyne C[C@]1(c2cc(N[C@H]3CCOC3)ccc2F)N=C(N)COC[C@@H]1F ZINC000169702878 ED Annotated Anodyne NC1=N[C@@]2(c3ccns3)CN(c3ncc(F)cn3)C[C@H]2CS1 ZINC000169703444 ED Annotated Anodyne Nc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCOCC3)c12 ZINC000169704043 ED Annotated Anodyne Cc1cnc(CO)c2nc(CCc3cn4c(n3)-c3ccccc3C4)nn12 ZINC000169704373 ED Annotated Anodyne CC(=O)N1CCCN(Cc2nc3c4c(cccc4n2)C(=O)N=N3)CC1 ZINC000169710160 ED Annotated Anodyne CNC(=O)c1nc(C#N)c2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710926 ED Annotated Mild CNC(=O)c1nc(C#N)c2ccc(=O)n(Cc3ccccc3)c2c1O ZINC000169710966 ED Annotated Mild Cc1onc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711664 ED Annotated Anodyne Cc1noc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711665 ED Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4ncccc4C3)ncnn12 ZINC000169711679 ED Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4ncncc4C3)ncnn12 ZINC000169711695 ED Annotated Anodyne Cc1nc2c(o1)CN(c1ncnn3c(C)nc([C@H]4CCOC4)c13)CC2 ZINC000169711708 ED Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4ncccc4C3)ncnn12 ZINC000169711727 ED Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4nn(C)cc4C3)ncnn12 ZINC000169711730 ED Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nccnc4C3)ncnn12 ZINC000169711800 ED Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cccnc4C3)ncnn12 ZINC000169711805 ED Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(C)c4C3)ncnn12 ZINC000169711810 ED Annotated Anodyne Cc1nc([C@H]2CCCO2)c2c(N3CCc4cnn(C)c4C3)ncnn12 ZINC000169711815 ED Annotated Anodyne C=c1c(O)c(Cc2cccnc2)c(=C)c(O)c1/C=C/C(=O)OCC ZINC000169712489 ED Annotated Anodyne CCCNS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O ZINC000169712836 ED Annotated Anodyne C[C@@H]1N=C2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)[C@@H]2N1C ZINC000169712874 ED Annotated Anodyne C[C@H]1N=C2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)[C@@H]2N1C ZINC000169712875 ED Annotated Anodyne C[C@@H]1N=C2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)[C@H]2N1C ZINC000169712876 ED Annotated Anodyne C[C@H]1N=C2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)[C@H]2N1C ZINC000169712877 ED Annotated Anodyne N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCCC2)o1 ZINC000169714641 ED Annotated Mild C/N=C(/NCCNCc1ccc(CN2CCCC2)o1)C(C#N)C#N ZINC000169714647 ED Annotated Mild CCN(C)Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 ZINC000169714648 ED Annotated Mild O=c1n(CN2CCN(c3ccc(F)cc3)CC2)c(O)c2n1CCC2 ZINC000169714893 ED Annotated Anodyne O=c1n(CN2CCN(c3ccc(F)cc3)CC2)c(O)c2n1CCCC2 ZINC000169714906 ED Annotated Anodyne O=C(O)Cn1cc(O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O ZINC000169715176 ED Annotated Bother CN1C(=O)C2=N[C@H](CC3CCCC3)N[C@H]2N2CC3(CCCC3)N=C12 ZINC000169715260 ED Annotated Anodyne CN1C(=O)C2=N[C@H](CC3CCCC3)N[C@@H]2N2CC3(CCCC3)N=C12 ZINC000169715261 ED Annotated Anodyne CN1C(=O)C2=N[C@@H](CC3CCCC3)N[C@H]2N2CC3(CCCC3)N=C12 ZINC000169715262 ED Annotated Anodyne CN1C(=O)C2=N[C@@H](CC3CCCC3)N[C@@H]2N2CC3(CCCC3)N=C12 ZINC000169715263 ED Annotated Anodyne C=c1[nH]n(C(=O)c2ccc(Cl)cc2)c(=O)/c1=C/c1cccc(O)c1 ZINC000169715646 ED Annotated Anodyne C=c1[nH]n(C(=O)c2ccc(Cl)cc2)c(=O)/c1=C/c1ccc(O)cc1 ZINC000169715647 ED Annotated Anodyne C=c1[nH]n(C(=O)c2ccc(Cl)cc2)c(=O)/c1=C/c1ccccc1O ZINC000169715651 ED Annotated Anodyne O=C1CS(=O)(=O)N=C2Sc3cc(OC(F)(F)F)ccc3N12 ZINC000169717027 ED Annotated Anodyne CCN(CC)CCc1c(C)[nH]c(/C=c2\c(=O)[nH][nH]c2=C2CC2)c1C ZINC000169718387 ED Annotated Anodyne O=c1n(CCN2CCCCC2)c(O)c2n1Cc1cc(O)ccc1C2 ZINC000169718943 ED Annotated Anodyne CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)CCN2 ZINC000169719757 ED Annotated Anodyne C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1c[nH]c2ccc(Cl)cc12 ZINC000169719820 ED Annotated Anodyne O=c1ccc(O)c2c3nc4ccc(O)cc4c3c3c(=O)[nH]c(=O)c3c12 ZINC000169720198 ED Annotated Bother C=CC[C@@]12CC(=O)C(=O)[C@](O)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000169720447 ED Annotated Mild O[C@@H]1N=C(Cc2ccccc2)P(O)(O)=C(Cc2ccccc2)N1 ZINC000169721477 ED Annotated Unstable O[C@H]1N=C(Cc2ccccc2)P(O)(O)=C(Cc2ccccc2)N1 ZINC000169721478 ED Annotated Unstable COC(Cn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc21)OC ZINC000169721498 ED Annotated Anodyne O=C1C2=N[C@@H]3C[C@@]45C[C@H]([C@H](O)C=C4S3)[N+]3=C(c4c(c[nH]c41)CC3)[C@H]25 ZINC000169723196 ED Annotated Anodyne O=C1C2=N[C@@H]3C[C@@]45C[C@@H]([C@H](O)C=C4S3)[N+]3=C(c4c(c[nH]c41)CC3)[C@H]25 ZINC000169723197 ED Annotated Anodyne O=C1C2=N[C@@H]3C[C@@]45C[C@H]([C@H](O)C=C4S3)[N+]3=C(c4c(c[nH]c41)CC3)[C@@H]25 ZINC000169723198 ED Annotated Anodyne O=C1C2=N[C@@H]3C[C@@]45C[C@@H]([C@H](O)C=C4S3)[N+]3=C(c4c(c[nH]c41)CC3)[C@@H]25 ZINC000169723199 ED Annotated Anodyne O=C1Nc2ccccc2/C1=N/N=c1\scc(O)n1C[C@@H]1CCCN1 ZINC000169724686 ED Annotated Mild O=C1Nc2ccccc2/C1=N/N=c1\scc(O)n1C[C@H]1CCCN1 ZINC000169724687 ED Annotated Mild C=CCn1c2nc(-c3cc(C)nn3C)nc-2c2n(c1=O)C[C@@H](C)N2 ZINC000169724890 ED Annotated Mild C=CCn1c2nc(-c3cc(C)nn3C)nc-2c2n(c1=O)C[C@H](C)N2 ZINC000169724891 ED Annotated Mild C=CCn1c2nc(-c3cc(C)nn3C)nc-2c2n(c1=O)C[C@@H](CC)N2 ZINC000169724892 ED Annotated Mild C=CCn1c2nc(-c3cc(C)nn3C)nc-2c2n(c1=O)C[C@H](CC)N2 ZINC000169724893 ED Annotated Mild C=CCn1c2nc(-c3cc(OC)no3)nc-2c2n(c1=O)C[C@@H](C)N2 ZINC000169724900 ED Annotated Mild C=CCn1c2nc(-c3cc(OC)no3)nc-2c2n(c1=O)C[C@H](C)N2 ZINC000169724901 ED Annotated Mild C=CCn1c2nc(-c3cc(OC)no3)nc-2c2n(c1=O)C[C@@H](CC)N2 ZINC000169724902 ED Annotated Mild C=CCn1c2nc(-c3cc(OC)no3)nc-2c2n(c1=O)C[C@H](CC)N2 ZINC000169724903 ED Annotated Mild C=CCn1c2nc(-c3cc(C)n(C)n3)nc-2c2n(c1=O)C[C@@H](C)N2 ZINC000169724904 ED Annotated Mild C=CCn1c2nc(-c3cc(C)n(C)n3)nc-2c2n(c1=O)C[C@H](C)N2 ZINC000169724905 ED Annotated Mild C=CCn1c2nc(-c3cc(C)n(C)n3)nc-2c2n(c1=O)C[C@@H](CC)N2 ZINC000169724906 ED Annotated Mild C=CCn1c2nc(-c3cc(C)n(C)n3)nc-2c2n(c1=O)C[C@H](CC)N2 ZINC000169724907 ED Annotated Mild COC(=O)N1CCn2c(c(O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)C1 ZINC000169724969 ED Annotated Anodyne CN(C)C(=O)N1CCn2c(c(O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)C1 ZINC000169724978 ED Annotated Anodyne O=C(NC/C=C/c1[nH]c(=S)[nH]c1O)c1ccc2c(c1)COC2=O ZINC000169725934 ED Annotated Anodyne O=NCc1cccc[n+]1COCCOC[n+]1ccccc1CN=O ZINC000169726913 ED Annotated Anodyne CCN(CC)Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 ZINC000169727025 ED Annotated Mild C/N=C(\NCCNCc1ccc(CN2CCCCC2)o1)C(C#N)C#N ZINC000169727030 ED Annotated Mild O=C(O)c1cc(-c2ccc(/C=N/n3cc(O)[nH]c3=O)o2)ccc1O ZINC000169727426 ED Annotated Mild COC(=O)c1cc(-c2ccc(/C=N/n3cc(O)[nH]c3=O)o2)ccc1O ZINC000169727427 ED Annotated Mild O=C(O)c1cc(-c2ccc(/C=N/n3cc(O)[nH]c3=O)s2)ccc1O ZINC000169727428 ED Annotated Mild COC(=O)c1cccc(-n2nc3c(c(C#N)c2=N)CC(C)(C)OC3)c1 ZINC000169730329 ED Annotated Mild C[C@@H](O)[C@@H](O)[C@@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1 ZINC000017160427 ED Annotated Mild CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1Br ZINC000017187636 ED Annotated Reactive CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1Br ZINC000017187639 ED Annotated Reactive CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1Br ZINC000017187642 ED Annotated Reactive CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1Br ZINC000017187645 ED Annotated Reactive CC(=O)O[C@@H]1[C@@H](CCl)O[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017192798 ED Annotated Reactive CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])O[C@H](CCl)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000017192800 ED Annotated Reactive CC(=O)O[C@@H]1[C@H](CCl)O[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017192803 ED Annotated Reactive CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])O[C@@H](CCl)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000017192806 ED Annotated Reactive CCCC(=O)O[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000017194648 ED Annotated Anodyne CCCC(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000017194651 ED Annotated Anodyne CCCC(=O)O[C@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000017194653 ED Annotated Anodyne CN(C(=O)C12[C@H]3C4C5[C@@H]([C@@H]41)C2(C(=O)C12C4C6C7C4C1C7C62)[C@H]53)C(C)(C)C ZINC000017210909 ED Annotated Anodyne CC(=O)OCCOCNC(=S)N/N=C/c1ccc2ccccc2n1 ZINC000017213796 ED Annotated Mild C[C@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000017214525 ED Annotated Clean C[C@@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000017214528 ED Annotated Clean C[C@@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000017214533 ED Annotated Clean Cc1cc(=O)nc(NN2[C@@H](c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2Cl)[nH]1 ZINC000017218988 ED Annotated Reactive COC(=O)C1=C(C)N2CCO[C@@]2(C)[C@H](C(=O)OC)[C@H]1c1ccc[nH]1 ZINC000017220856 ED Annotated Anodyne COC(=O)C1=C(C)N2CCO[C@@]2(C)[C@@H](C(=O)OC)[C@H]1c1ccc[nH]1 ZINC000017220858 ED Annotated Anodyne COC(=O)C1=C(C)N2CCO[C@@]2(C)[C@H](C(=O)OC)[C@@H]1c1ccc[nH]1 ZINC000017220861 ED Annotated Anodyne COC(=O)C1=C(C)N2CCO[C@@]2(C)[C@@H](C(=O)OC)[C@@H]1c1ccc[nH]1 ZINC000017220866 ED Annotated Anodyne Cc1[nH]c(=O)nc2nc3ccc(Cl)cc3c(NC(C)(CO)CO)c12 ZINC000017251852 ED Annotated Bother COC(=O)/C(=C(\C)NC(C)=O)c1c(C(=O)OC)[nH]c2ccccc12 ZINC000017254036 ED Annotated Anodyne CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2/C=N\O)C1 ZINC000017258591 ED Annotated Mild Nc1nc(NCC2(CO)CC(CCc3ccccc3)C2)cc(=O)[nH]1 ZINC000017258606 ED Annotated Anodyne C/C(=N\C[C@H]1CCCO1)[C@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000017486294 ED Annotated Mild CC(C)(C)c1ccc(OCC(=O)Nc2cc(B(O)O)ccc2O)cc1 ZINC000170124805 ED Annotated Reactive O=S(=O)(NCB(O)O)c1cc2c(Cl)ccc(Cl)c2s1 ZINC000170129362 ED Annotated Reactive Ic1ccc([B-]2(c3ccccc3)NCCO2)cc1 ZINC000170186624 ED Annotated Anodyne Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=S)Nc1ccc(F)cc1 ZINC000017516806 ED Annotated Anodyne Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=S)NCc1ccccc1 ZINC000017516807 ED Annotated Anodyne Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=S)NCCc1ccccc1 ZINC000017516809 ED Annotated Anodyne Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=S)NC1CCCCC1 ZINC000017516811 ED Annotated Anodyne Cc1ccccc1NC(=S)NNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000017516823 ED Annotated Anodyne Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=S)Nc1ccccc1F ZINC000017516824 ED Annotated Anodyne COC(=O)C1(C(=O)OC)CC=CCc2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000017995119 ED Annotated Bother O=C1C[C@H](c2ccccc2)n2nc(NC(=O)[C@@H]3CCCO3)nc2N1 ZINC000018006447 ED Annotated Anodyne O=C1C[C@@H](c2ccccc2)n2nc(NC(=O)[C@@H]3CCCO3)nc2N1 ZINC000018021246 ED Annotated Anodyne Cc1cc(NC(=O)CCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)n[nH]1 ZINC000018029549 ED Annotated Anodyne Cc1ccc2nc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nc(=O)n2c1 ZINC000018042937 ED Annotated Anodyne O=C(NNC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1O ZINC000018056945 ED Annotated Reactive COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=O ZINC000018060174 ED Annotated Anodyne COc1ccc2c(c1)CCC/C2=N/Nc1nc(C(=O)NN)cs1 ZINC000018069186 ED Annotated Reactive O=C1C[C@@H](c2ccccc2)n2nc(NC(=O)[C@H]3CCCO3)nc2N1 ZINC000018086416 ED Annotated Anodyne N/C(CSS(=O)(=O)O)=N/CCC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000018098236 ED Annotated Reactive CCn1c(=O)n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c(=O)c2ccccc21 ZINC000018140524 ED Annotated Anodyne Cc1cc(=O)nc(NN/C(=N/N=C2C=CC(=O)C=C2)c2ccccc2)[nH]1 ZINC000018175734 ED Annotated Mild Cc1[nH]c(=O)nc2nc3ccc(Cl)cc3c(N(CCO)CCO)c12 ZINC000018204248 ED Annotated Bother Cn1cncc1C(=O)N1CCc2[nH]nc(-c3cccc(C#N)c3)c2C1 ZINC000019112401 ED Annotated Mild Cc1nc([C@@H](C)NC(=O)Cn2ncc(N(C)C)cc2=O)c(C)s1 ZINC000019114069 ED Annotated Anodyne Cc1nc([C@H](C)NC(=O)Cn2ncc(N(C)C)cc2=O)c(C)s1 ZINC000019114071 ED Annotated Anodyne Cn1ccnc1CN1CCC(Cn2cc(-c3ccncc3)nn2)CC1 ZINC000019226555 ED Annotated Anodyne Cc1ncc2c(c1-c1noc(CCCN3CCOCC3)n1)CCNC2 ZINC000019228957 ED Annotated Anodyne CCCC[C@@H](C(=O)OC)n1ncc(N2CCCN(C)CC2)cc1=O ZINC000019229525 ED Annotated Anodyne CCCC[C@H](C(=O)OC)n1ncc(N2CCCN(C)CC2)cc1=O ZINC000019229527 ED Annotated Anodyne C[C@@H](N[C@@H](NCC(O)O)Nc1ccc(CN)cc1)c1ccccc1 ZINC000019331258 ED Annotated Anodyne in-vivo C[C@@H](N[C@H](NCC(O)O)Nc1ccc(CN)cc1)c1ccccc1 ZINC000019331262 ED Annotated Anodyne in-vitro O=C1C[C@@H](c2ccccc2)N2CCCN(CCCCNCCCN1)C2 ZINC000019332757 ED Annotated Anodyne Cc1cccc2c(N)c3cccc(C(=O)NCCNCCN)c3nc12 ZINC000019372561 ED Annotated Clean c1ccc(Cn2nnnc2[C@H](c2ccccn2)N2CCOCC2)cc1 ZINC000019372851 ED Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccccn2)N2CCOCC2)cc1 ZINC000019372852 ED Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](c3cccc(F)c3)N[C@@](CC)(C(=O)OC)[C@@H]2C1=O ZINC000019500772 ED Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](c2ccco2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019500820 ED Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@H](c2ccco2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019500821 ED Annotated Anodyne C=CCN1CCN([C@H](CCC)c2nnnn2Cc2ccco2)CC1 ZINC000019501950 ED Annotated Mild C=CCN1CCN([C@@H](CCC)c2nnnn2Cc2ccco2)CC1 ZINC000019501951 ED Annotated Mild CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019526790 ED Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019526792 ED Annotated Anodyne CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(N(C)C)cc1 ZINC000019535078 ED Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(N(C)C)cc1 ZINC000019535082 ED Annotated Anodyne Cc1c([C@@H]2CCCN(C(=O)c3ccncc3)C2)n2c(nc1=O)CCC2 ZINC000019554867 ED Annotated Anodyne Cc1c([C@H]2CCCN(C(=O)c3ccncc3)C2)n2c(nc1=O)CCC2 ZINC000019554870 ED Annotated Anodyne COc1ccccc1C(=O)N1C[C@@H]2CCCCN(CC(N)=O)[C@@H]2C1 ZINC000019568874 ED Annotated Anodyne COCCC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 ZINC000019593216 ED Annotated Anodyne Cc1cc(N2CCN(Cc3ccnn3C)CC2)cc([C@@H]2CCCN2)n1 ZINC000019698050 ED Annotated Anodyne Cc1cc(N2CCN(Cc3ccnn3C)CC2)cc([C@H]2CCCN2)n1 ZINC000019698051 ED Annotated Anodyne COc1ccc(COC[C@@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000019720683 ED Annotated Anodyne O=C1CCCCCN1CC(=O)N1CCC[C@@H](Oc2ccccn2)C1 ZINC000019731860 ED Annotated Anodyne O=C1CCCCCN1CC(=O)N1CCC[C@H](Oc2ccccn2)C1 ZINC000019731862 ED Annotated Anodyne COc1ccc([C@@H]2CN(C(=O)Nc3nc(C)n(C)n3)CCO2)cc1 ZINC000019740586 ED Annotated Anodyne COc1ccc([C@H]2CN(C(=O)Nc3nc(C)n(C)n3)CCO2)cc1 ZINC000019740588 ED Annotated Anodyne COc1cnc(NCCc2nncn2C(C)C)nc1-c1ccnn1C ZINC000019740615 ED Annotated Anodyne COc1cc2c(cc1CN1C[C@H](O)[C@@H](N3CCOCC3)C1)CCC2 ZINC000019741366 ED Annotated Anodyne CN(Cc1ccsc1)C(=O)Cn1ncc(N2CCCC2)cc1=O ZINC000019742901 ED Annotated Anodyne CN(C)c1cnn(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(=O)c1 ZINC000019774216 ED Annotated Anodyne CN(C)c1cnn(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(=O)c1 ZINC000019774218 ED Annotated Anodyne CC(C)c1csc(CN2CCN(c3cnn(C)c(=O)c3)CC2)n1 ZINC000019794731 ED Annotated Anodyne COCc1noc(-c2ccc(N(C)Cc3cn(C)nc3C)nc2)n1 ZINC000019838615 ED Annotated Anodyne OCCO[C@@H]1C[C@H]2[C@@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F ZINC000019848287 ED Annotated Reactive Cc1cc(C)c(C(=O)C[C@@H](N2CCOCC2)C(F)(F)F)c(=O)[nH]1 ZINC000019874550 ED Annotated Anodyne Cc1cc(C)c(C(=O)C[C@H](N2CCOCC2)C(F)(F)F)c(=O)[nH]1 ZINC000019874552 ED Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000019898621 ED Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000019898622 ED Annotated Anodyne O[C@H]1CN(Cc2ccc3cc(Cl)ccc3n2)C[C@@H]1N1CCOCC1 ZINC000019939876 ED Annotated Anodyne Cc1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)[nH]n1 ZINC000019952104 ED Annotated Anodyne CN(C)c1cnn(CC(=O)NCc2cnc3ccccc3c2)c(=O)c1 ZINC000019952823 ED Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2N=Cc3c(F)cccc3B2O)c(C)c1 ZINC000195042063 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3sc(Cl)cc3B2O)cc1 ZINC000195051502 ED Annotated Anodyne Cc1cc2c(s1)C=NN(S(=O)(=O)c1ccccc1Cl)B2O ZINC000195057061 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3c(C)ccc(C)c3B2O)cc1 ZINC000195062988 ED Annotated Anodyne COc1ccc2c(c1)[C@H](C(C#N)C#N)[C@H]1C(N)=C(C#N)C(N)=C[C@H]1O2 ZINC000195081013 ED Annotated Reactive COc1ccc2c(c1)[C@H](C(C#N)C#N)[C@@H]1C(N)=C(C#N)C(N)=C[C@H]1O2 ZINC000195081028 ED Annotated Reactive COc1ccc2c(c1)O[C@H]1C=C(N)C(C#N)=C(N)[C@@H]1[C@H]2C(C#N)C#N ZINC000195086471 ED Annotated Reactive COc1ccc2c(c1)O[C@H]1C=C(N)C(C#N)=C(N)[C@H]1[C@H]2C(C#N)C#N ZINC000195086486 ED Annotated Reactive C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@]3(C)CO3)=C\C[C@H]12 ZINC000195121539 ED Annotated Mild CC1(C)O[C@H]2O[C@@H]3COB(c4ccc5ccccc5c4)O[C@@H]3[C@H]2O1 ZINC000195124588 ED Annotated Mild CCc1cc2c(s1)B(O)N(S(=O)(=O)c1ccc(C)cc1)C=C2 ZINC000195125021 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3ccc(Cl)cc3B2O)cc1 ZINC000195130708 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3c(Cl)cccc3B2O)cc1 ZINC000195137192 ED Annotated Anodyne O=C(OB(c1cccnc1)c1cccc(Cl)c1)c1ncccc1O ZINC000195217689 ED Annotated Anodyne C[C@]1(C(=O)O)[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NNC(=O)Cc1ccccc1 ZINC000195235629 ED Annotated Reactive O=C(O)/C=C/c1cccc([C@H](NC(=O)Cc2cccs2)B(O)O)c1 ZINC000195285452 ED Annotated Reactive Cc1ccc(S(=O)(=O)N2N=Cc3cc(Cl)ccc3B2O)cc1 ZINC000195285943 ED Annotated Anodyne O=C(OB(c1ccc(Cl)cc1)c1cccnc1)c1ncccc1O ZINC000195286894 ED Annotated Anodyne O=C(O)[C@H]1[C@@H]2C(=O)N3c4ccccc4[C@H]4OCC[C@H]4[C@H]3[C@@]23C=C[C@H]1O3 ZINC000195293401 ED Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C(=O)N3c4ccccc4[C@H]4OCC[C@H]4[C@H]3[C@@]23C=C[C@H]1O3 ZINC000195293411 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccc1F ZINC000195315334 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccccc1F ZINC000195315343 ED Annotated Anodyne COc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1[Si](C)(C)C ZINC000195317677 ED Annotated Anodyne C[N+](C)([BH2-]C(=O)O)CCCCCCCCCC[N+](C)(C)[BH2-]C(=O)O ZINC000195340581 ED Annotated Bother O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\[C@H]3CS(=O)(=O)C[C@H]3O)c2c1 ZINC000195342109 ED Annotated Clean CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000195346344 ED Annotated Anodyne COC1=C2c3ccc(OC)c(=O)cc3[C@H]3C[C@@]4(C)N3[C@@]24C=C(O)C1=O ZINC000195347233 ED Annotated Mild COC1=C2c3ccc(OC)c(=O)cc3[C@H]3C[C@]4(C)N3[C@@]24C=C(O)C1=O ZINC000195347238 ED Annotated Mild O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NCCc1ccccc1 ZINC000195365748 ED Annotated Anodyne O=C1C[C@]23c4ccccc4N4C(=O)C[C@H]5OCC=C6CN1[C@H]2C[C@@H]6[C@@H]5[C@H]43 ZINC000195369417 ED Annotated Anodyne CCCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000195377185 ED Annotated Anodyne CCCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000195377191 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCC(=O)N1CCc2ccccc21 ZINC000195378105 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCC(=O)N1CCc2ccccc21 ZINC000195378111 ED Annotated Anodyne CN1CC[C@@]2(CN(N=O)CCC2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000195378452 ED Annotated Anodyne CN1CC[C@]2(CN(N=O)CCC2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000195378461 ED Annotated Anodyne COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 ZINC000195382656 ED Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 ZINC000195382662 ED Annotated Anodyne Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCC=O)=[N+]1[B-]2(F)F ZINC000195392818 ED Annotated Mild O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NCCC1=CCCCC1 ZINC000195393240 ED Annotated Anodyne CCOC(=O)CCN1C(=O)[C@@H]2[C@H]3c4ccccc4[C@H]([C@@H]2C1=O)N3N=O ZINC000195410594 ED Annotated Anodyne CCOC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3[C@H]2N1N=O ZINC000195410602 ED Annotated Anodyne CCOC(=O)CCN1C(=O)[C@H]2[C@H]3c4ccccc4[C@H]([C@@H]2C1=O)N3N=O ZINC000195410607 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nc2ccccc2[nH]1 ZINC000195418149 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1nc2ccccc2[nH]1 ZINC000195418155 ED Annotated Anodyne C=C1C(=O)[C@@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)C=CC2=O ZINC000195421786 ED Annotated Mild COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000195429851 ED Annotated Anodyne COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000195429853 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccccc1 ZINC000195439693 ED Annotated Anodyne CC1CCC(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)CC1 ZINC000195447895 ED Annotated Anodyne CN1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000195448763 ED Annotated Anodyne CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000195448768 ED Annotated Anodyne C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@]3(O4)[C@H]12 ZINC000195456558 ED Annotated Anodyne C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@]3(O4)[C@H]12 ZINC000195456563 ED Annotated Anodyne C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@]3(O4)[C@@H]12 ZINC000195456570 ED Annotated Anodyne C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@]3(O4)[C@@H]12 ZINC000195456576 ED Annotated Anodyne CC[C@@H](CO)[C@@H]1C[C@@H]2N[C@@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@@H](O)[C@H]13 ZINC000195456680 ED Annotated Anodyne CC[C@@H](CO)[C@H]1C[C@@H]2N[C@@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@@H](O)[C@@H]31 ZINC000195456687 ED Annotated Anodyne S=C(NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)N[C@@H]1C[C@H]2C=C[C@H]1C2 ZINC000195458278 ED Annotated Anodyne S=C(NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)N[C@H]1C[C@H]2C=C[C@H]1C2 ZINC000195458282 ED Annotated Anodyne S=C(NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000195458288 ED Annotated Anodyne S=C(NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000195458294 ED Annotated Anodyne CCS(=O)(=O)c1ccc(O)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000195459590 ED Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccco2)[C@@]2(C#N)C(=N)O[C@@]1(C)C2(C#N)C#N ZINC000195462317 ED Annotated Mild CCOC(=O)[C@H]1[C@@H](c2ccco2)[C@@]2(C#N)C(=N)O[C@@]1(C)C2(C#N)C#N ZINC000195462326 ED Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1 ZINC000195469777 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@H](O)COCc1ccccc1 ZINC000195469782 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1C[C@H](O)COCc1ccccc1 ZINC000195469788 ED Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000195472117 ED Annotated Anodyne O=C1CC=C2[C@H]3C[C@@H]4N(CC[C@]45c4ccccc4N1[C@@H]25)C/C3=C\CO ZINC000195504785 ED Annotated Anodyne C/C1=C\[C@@H]2OC(=O)[C@@]3(C)[C@H]2[C@@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)C(C)C ZINC000195509450 ED Annotated Mild C/C1=C\[C@@H]2OC(=O)[C@@]3(C)[C@H]2[C@@H](C[C@@]2(C)OC1=CC2=O)O[C@@]3(O)C(C)C ZINC000195509453 ED Annotated Mild N#CC1(C#N)[C@@H](c2ccccc2)N[C@]23CCCC[C@@H]2[C@]1(C#N)C(=O)N3 ZINC000195514839 ED Annotated Mild N#CC1(C#N)[C@@H](c2ccccc2)N[C@]23CCCC[C@H]2[C@]1(C#N)C(=O)N3 ZINC000195514841 ED Annotated Mild C[C@H](O)[C@@H](O)[C@@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1 ZINC000195516249 ED Annotated Mild C[C@@H](O)[C@H](O)[C@@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1 ZINC000195516251 ED Annotated Mild C[C@H](O)[C@H](O)[C@@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1 ZINC000195516253 ED Annotated Mild CC(C)(C)NC[C@H](O)c1ccc2c(c1)CO[B-](O)(c1ccccc1)O2 ZINC000195522310 ED Annotated Mild CC1(C)COB(c2ccc(CN(CCCN)CCCCN)cc2)OC1 ZINC000195984330 ED Annotated Mild COc1cc(C)c(O)c2c1C(=O)c1c(cc(O)c(OC)c1O)C2=O ZINC000196149449 ED Annotated Clean O=S(=O)(O)Oc1cc(O)cc(Oc2c(O)cc(O)cc2O)c1 ZINC000196165134 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@@H](C1)N2C ZINC000196583471 ED Annotated Anodyne in-man endogenous C=CC[C@@]12C=C(O)C(=O)[C@@](O)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000197258778 ED Annotated Mild COc1cc2c3c(c1OC)C1=CC[C@@H](O)C[C@@H](O)[C@@H](O1)[C@@H]3NCC2 ZINC000197426649 ED Annotated Anodyne C=C1C[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000197469300 ED Annotated Mild CC1(C)OB(c2cc(Cl)nc(N3CCOCC3)n2)OC1(C)C ZINC000198085270 ED Annotated Mild CC(C)=CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)CO)C[C@@H]1N2C ZINC000198277195 ED Annotated Anodyne C=C1[C@H](O)[C@H]2O[C@@]23[C@@H]1C[C@]12CC[C@H](C(C)C)[C@@]1(C)[C@@H](O)[C@H](O)[C@]32C ZINC000198332492 ED Annotated Mild C=C(C(=O)OC)[C@H]1C[C@H]2[C@@](C)(O)CC[C@@H](O)[C@]2(C)C[C@H]1OC(C)=O ZINC000198495583 ED Annotated Mild C=C(C(=O)OC)[C@H]1C[C@H]2[C@](C)(O)CC[C@@H](O)[C@]2(C)C[C@H]1OC(C)=O ZINC000198495594 ED Annotated Mild CCOC(=O)C1=NN/C(=C(/O)c2ccc(Br)cc2)C1=O ZINC000198808697 ED Annotated Mild CC(=O)N1C[C@@H](CN2C(=O)CCC2=O)[C@@H]2C[C@H]1c1ccccc1N2C ZINC000198930674 ED Annotated Anodyne CN[C@H]1C[C@@H](c2ccccc2Br)N(C(C)=O)C[C@H]1CO ZINC000198932866 ED Annotated Anodyne Cc1cc2c(cc1C)=N/C(=C1/N=NNN1Cc1ccccc1)C(=O)N=2 ZINC000199202578 ED Annotated Anodyne COC(=O)Cn1c2ccccc2c(=O)n1[C@@H](C)CBr ZINC000199204834 ED Annotated Reactive COC(=O)Cn1c2ccccc2c(=O)n1[C@H](C)CBr ZINC000199204850 ED Annotated Reactive C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1C1CC1 ZINC000199214724 ED Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1C1CC1 ZINC000199214738 ED Annotated Anodyne COCCN1C(=O)CC[C@@]1(C)c1nnnn1-c1c(C)cccc1C ZINC000199214792 ED Annotated Anodyne COCCN1C(=O)CC[C@]1(C)c1nnnn1-c1c(C)cccc1C ZINC000199214810 ED Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H]1c1nnnn1Cc1ccccc1 ZINC000199225107 ED Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H]1c1nnnn1Cc1ccccc1 ZINC000199225126 ED Annotated Anodyne COC(=O)C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1 ZINC000199225510 ED Annotated Anodyne COC(=O)C[C@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1 ZINC000199226038 ED Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000199226491 ED Annotated Anodyne CC(C)NC(=O)[C@]1(C)CSCC(=O)N1CCOc1ccccc1 ZINC000199232399 ED Annotated Anodyne CC(C)NC(=O)[C@@]1(C)CSCC(=O)N1CCOc1ccccc1 ZINC000199233352 ED Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCc2ccccc2C1 ZINC000199242427 ED Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCc2ccccc2C1 ZINC000199242452 ED Annotated Anodyne COCCNC(=O)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 ZINC000199248709 ED Annotated Anodyne COCCNC(=O)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 ZINC000199248720 ED Annotated Anodyne O=C1Nc2ccccc2C(=O)N(C2CCCC2)[C@@H]1C(=O)NC1CC1 ZINC000199248779 ED Annotated Anodyne O=C1Nc2ccccc2C(=O)N(C2CCCC2)[C@H]1C(=O)NC1CC1 ZINC000199248795 ED Annotated Anodyne CC(=O)O[C@@H]1/C=C/CC[C@H](O)[C@@H](CCC[C@H](C)O)OC(=O)[C@@H]1C ZINC000199307497 ED Annotated Anodyne CC(=O)O[C@@H](C)CCC[C@H]1OC(=O)[C@H](C)[C@H](O)/C=C/CC[C@@H]1O ZINC000199308757 ED Annotated Anodyne CC(=O)OCCCCC[C@H]1OC(=O)[C@H](C)[C@H](O)/C=C/CC[C@@H]1O ZINC000199308785 ED Annotated Anodyne OCC[C@@H]1C[C@H](O)[C@@H](O)[C@]2(OCc3cc(C(F)(F)F)ccc32)O1 ZINC000199354465 ED Annotated Anodyne OCC[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(OCCc3cc(C(F)(F)F)ccc32)O1 ZINC000199354543 ED Annotated Anodyne OCC[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(OCCCc3cc(Cl)ccc32)O1 ZINC000199354642 ED Annotated Anodyne COCCN1C(=O)CC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199396890 ED Annotated Anodyne COCCN1C(=O)CC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199396903 ED Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)OC[C@]32C(=O)C=C(C(C)C)[C@H]2CO)[C@@H]1O ZINC000199478021 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C(=O)[C@H]2[C@@H]([C@H]1CO)C2(C)C ZINC000199478039 ED Annotated Mild CN1CCN([C@@H]2CCN(c3nc4ccc(O)c(C=O)c4s3)C2)CC1 ZINC000199612552 ED Annotated Anodyne CN1CCN([C@H]2CCN(c3nc4ccc(O)c(C=O)c4s3)C2)CC1 ZINC000199612565 ED Annotated Anodyne COC(=O)N1C[C@H](O)[C@H](O)C[C@@H]1c1ccccc1Br ZINC000199735357 ED Annotated Anodyne CS(=O)(=O)N1Cc2cc(Br)ccc2-n2nncc2C1 ZINC000199735747 ED Annotated Anodyne CCNC(=O)N(C)[C@H]1C[C@@H](c2ccccc2)N(C(C)=O)C[C@H]1CO ZINC000199736703 ED Annotated Anodyne COC(=O)C[C@@]1(O)C=CC(=O)C[C@@H]1NC(=O)/C=C/c1ccccc1 ZINC000199769477 ED Annotated Mild C=C(CO)C(=O)O[C@H]1/C=C(/C=O)CC/C=C(/C)C[C@H]2OC(=O)C(=C)[C@H]12 ZINC000199842736 ED Annotated Reactive COc1ccc([C@@]23CCNC2=C2N=c4ccccc4=C2CCN3)c(N)c1 ZINC000199894328 ED Annotated Anodyne Cn1c(N2CCO[C@H]3CCC[C@@H]32)nc(-c2ccncc2F)cc1=O ZINC000199951178 ED Annotated Anodyne Cn1c(N2CCO[C@H](C3CCC3)C2)nc(-c2ccncc2F)cc1=O ZINC000199951955 ED Annotated Anodyne Cn1c(N2CCO[C@@H](C3CCC3)C2)nc(-c2ccncc2F)cc1=O ZINC000199951986 ED Annotated Anodyne C[S@@](=O)CCNCc1cc2cc(S(N)(=O)=O)sc2s1 ZINC000002001455 ED Annotated Anodyne CC1=CC(=O)C[C@]2(O)C3=C(C=C[C@@]12O)C(=O)c1c(O)cccc1C3=O ZINC000002002466 ED Annotated Mild CC(=O)Nc1ccc(-c2ccc(/C=N/N3CC(=O)NC3=O)o2)cc1 ZINC000002006731 ED Annotated Mild CNC(NCCNCc1ccc(CN2CCCC2)o1)=C(C#N)C#N ZINC000002010397 ED Annotated Reactive CCCC(=O)O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000002022179 ED Annotated Anodyne CCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 ZINC000002022181 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4CO[C@]2(O)CN(C)[C@H]3C1)OCO5 ZINC000002022508 ED Annotated Anodyne in-vitro biogenic COP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002041376 ED Annotated Reactive in-vitro O=C(O)CCCCN(Cc1ccc([N+](=O)[O-])cc1)CP(=O)(O)O ZINC000002043437 ED Annotated Bother in-vivo CCC[C@H](NCc1c(COP(=O)(O)O)cnc(C)c1O)C(=O)O ZINC000002047162 ED Annotated Anodyne in-vivo C=c1[nH]n(-c2cccc(C(=O)O)c2)c(=O)/c1=C\C=C\c1ccccc1 ZINC000002053899 ED Annotated Anodyne Cn1c(C(=O)O)c(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc21 ZINC000002456254 ED Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000002458817 ED Annotated Anodyne O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1 ZINC000002460808 ED Annotated Anodyne C=CCNC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000002460811 ED Annotated Mild C=CCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000002460812 ED Annotated Mild C[C@@]1(C(=O)NCCOCCO)CON=C1c1ccc(Cl)cc1 ZINC000002461224 ED Annotated Anodyne C[C@]1(C(=O)NCCOCCO)CON=C1c1ccc(Cl)cc1 ZINC000002461225 ED Annotated Anodyne Cc1nnc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)s1 ZINC000002461662 ED Annotated Anodyne COc1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1Cl ZINC000002462019 ED Annotated Mild COc1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1Cl ZINC000002462021 ED Annotated Mild O=C(O)CN1C(=O)C[C@@H](Cc2ccc(Br)cc2)C1=O ZINC000002462825 ED Annotated Anodyne CCN(CC)CCNC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1 ZINC000002465009 ED Annotated Anodyne CCN(CC)CCNC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1 ZINC000002465011 ED Annotated Anodyne COCCCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000002465436 ED Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000002465511 ED Annotated Anodyne NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)CCC3 ZINC000002467494 ED Annotated Anodyne C[C@@]1(C(=O)NCCOCCO)CON=C1c1cccc(Cl)c1 ZINC000002470330 ED Annotated Anodyne C[C@]1(C(=O)NCCOCCO)CON=C1c1cccc(Cl)c1 ZINC000002470331 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2nccnc2c1 ZINC000002485352 ED Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(N)=O)ccc2O1 ZINC000002492058 ED Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(N)=O)ccc2O1 ZINC000002492061 ED Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2ccco2)C1 ZINC000002492923 ED Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2ccco2)C1 ZINC000002492940 ED Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2ccco2)C1 ZINC000002492942 ED Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2ccco2)C1 ZINC000002492943 ED Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2ccco2)C1 ZINC000002492945 ED Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2ccco2)C1 ZINC000002493264 ED Annotated Anodyne C[C@H]1CCCN(CCCNS(=O)(=O)c2cccc3nonc23)C1 ZINC000002496302 ED Annotated Anodyne C[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc3nonc23)C1 ZINC000002496305 ED Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000002496446 ED Annotated Anodyne CCCN(CCOC)c1ccc2[nH]c(=O)c(CC(=O)OCC)nc2n1 ZINC000002497883 ED Annotated Anodyne CSCCc1nc2nc(N3C[C@H](C)O[C@H](C)C3)ccc2[nH]c1=O ZINC000002499864 ED Annotated Anodyne CSCCc1nc2nc(N3C[C@@H](C)O[C@H](C)C3)ccc2[nH]c1=O ZINC000002499866 ED Annotated Anodyne CSCCc1nc2nc(N3C[C@H](C)O[C@@H](C)C3)ccc2[nH]c1=O ZINC000002499868 ED Annotated Anodyne CCCOc1ccc([C@@H]2[C@@]3(C#N)C(N)=NC4(OCCO4)[C@@]23C#N)cc1 ZINC000020058443 ED Annotated Mild COCCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 ZINC000020060392 ED Annotated Anodyne COCCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 ZINC000020060394 ED Annotated Anodyne COCCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 ZINC000020060396 ED Annotated Anodyne COCCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccccc1 ZINC000020060398 ED Annotated Anodyne CN(C)c1cnn(CC(=O)N2CCC[C@@H]2c2nccs2)c(=O)c1 ZINC000020119127 ED Annotated Anodyne CN(C)c1cnn(CC(=O)N2CCC[C@H]2c2nccs2)c(=O)c1 ZINC000020119129 ED Annotated Anodyne CCN1CCN(C(=O)[C@@H](C)N2C(=O)COc3ccc(C)cc32)CC1 ZINC000020136442 ED Annotated Anodyne CCN1CCN(C(=O)[C@H](C)N2C(=O)COc3ccc(C)cc32)CC1 ZINC000020136445 ED Annotated Anodyne c1coc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)c1 ZINC000020141534 ED Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150379 ED Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150395 ED Annotated Anodyne C[C@@]1(/C(O)=N/Cc2cccnc2)CCC(=O)N1CCN1CCOCC1 ZINC000020152390 ED Annotated Mild C[C@]1(/C(O)=N/Cc2cccnc2)CCC(=O)N1CCN1CCOCC1 ZINC000020152392 ED Annotated Mild CCn1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cn1 ZINC000020167018 ED Annotated Anodyne COCc1nc(Cn2ncc(N(C)Cc3ccccc3)cc2=O)no1 ZINC000020204820 ED Annotated Anodyne O[C@H]1CN(Cc2ccc3cccc(Cl)c3n2)C[C@@H]1N1CCOCC1 ZINC000020210616 ED Annotated Anodyne CN1CCN(C(=O)CSc2cc(=O)n(C)c3ccccc23)CC1 ZINC000020234185 ED Annotated Anodyne CCN1CCN(C(=O)CSc2cc(=O)n(C)c3ccccc23)CC1 ZINC000020234217 ED Annotated Anodyne CC1=C(C(=O)NCCN2CCN(C)CC2)C2(CCC(C)CC2)OC1=O ZINC000020279320 ED Annotated Anodyne COc1ccc2cc3c(N)nn(C(=O)CN4CCOCC4)c3nc2c1 ZINC000020286408 ED Annotated Anodyne CCCn1cc(-c2ccn(CC(=O)Nc3cnn(CC)n3)n2)c(C)n1 ZINC000020386375 ED Annotated Anodyne O=C(c1ccc(CN2C(=O)CCn3nccc32)cc1)N1CCOCC1 ZINC000020388557 ED Annotated Anodyne Clc1ccc2nc(NCCN3CCOCC3)c3nncn3c2c1 ZINC000020414608 ED Annotated Anodyne CCCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1 ZINC000020415882 ED Annotated Anodyne O[C@@H]1CCCN(C2CCN(Cc3nc(-c4ccccn4)no3)CC2)C1 ZINC000020454760 ED Annotated Anodyne O[C@H]1CCCN(C2CCN(Cc3nc(-c4ccccn4)no3)CC2)C1 ZINC000020454762 ED Annotated Anodyne CCCCNC(=O)CN1C(=O)[C@@H]2CCCN2c2ncc(Cl)cc21 ZINC000020465182 ED Annotated Anodyne CCCCNC(=O)CN1C(=O)[C@H]2CCCN2c2ncc(Cl)cc21 ZINC000020465185 ED Annotated Anodyne Cn1c(C(=O)N2CCn3nc(C(=O)NO)cc3C2)cc2ccccc21 ZINC000200065000 ED Annotated Anodyne O=C(NO)c1cn2c(n1)CN(C(=O)c1cc3ccccc3s1)CC2 ZINC000200071678 ED Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000200595210 ED Annotated Mild in-man COCCN(C)C(=O)c1cn(-c2ccc(C(=O)O)cc2)cc1C#N ZINC000200835170 ED Annotated Mild COC(=O)c1cc(OC)cc2oc3cc(CO)cc(O)c3c(=O)c12 ZINC000200945410 ED Annotated Bother CC[P@@]1(=O)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O ZINC000200969139 ED Annotated Anodyne N#Cc1ccc(N2CC[C@H](Nc3ccc(C(=O)NO)cc3)C2=O)cc1 ZINC000200997732 ED Annotated Mild N#Cc1ccc(N2CC[C@@H](Nc3ccc(C(=O)NO)cc3)C2=O)cc1 ZINC000200997762 ED Annotated Mild O=C(O)CCc1ncc2c(=O)[nH]c3cc(Br)ccc3n12 ZINC000201415761 ED Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000201445405 ED Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000201445437 ED Annotated Mild in-man CCN(C)C(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 ZINC000201445633 ED Annotated Anodyne CCN(C)C(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 ZINC000201445669 ED Annotated Anodyne O=C(c1ccncc1F)N1CCC(n2nnc3ncccc32)CC1 ZINC000201449476 ED Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC(n2nnc3ncccc32)CC1 ZINC000201449569 ED Annotated Anodyne C/C=C/C(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000201465166 ED Annotated Anodyne C/C=C/C(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000201465201 ED Annotated Anodyne C#CCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OCC)CCC3 ZINC000201483194 ED Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)C(=O)/C=C/[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000202292767 ED Annotated Mild CC(C)[C@H]1[C@@H](O)C(=O)C2=C3NC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]21C ZINC000202804583 ED Annotated Mild COC(=O)c1cccnc1N1CC[C@H](NC2CCCCC2)[C@H](O)C1 ZINC000203454825 ED Annotated Anodyne COC(=O)c1cccnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1 ZINC000203454833 ED Annotated Anodyne COC(=O)c1cc(-c2cnc(OC)nc2OC)c(=O)n2c1CCC2 ZINC000203461065 ED Annotated Anodyne O=C(OCc1cn(Cc2cccc(Cl)c2)nn1)N1CCOCC1 ZINC000203463091 ED Annotated Anodyne O=C(OCc1cn(Cc2ccc(F)cc2F)nn1)N1CCOCC1 ZINC000203463115 ED Annotated Anodyne O=C(OCc1cn(Cc2cc(F)ccc2F)nn1)N1CCOCC1 ZINC000203463121 ED Annotated Anodyne O=C(OCc1cn(Cc2c(F)cccc2F)nn1)N1CCOCC1 ZINC000203463129 ED Annotated Anodyne O=C(OCc1cn(Cc2ccc(F)c(F)c2)nn1)N1CCOCC1 ZINC000203463138 ED Annotated Anodyne O=C(OCc1cn(Cc2cc(F)cc(F)c2)nn1)N1CCOCC1 ZINC000203463147 ED Annotated Anodyne C#CCNC(=O)C[C@H]1C(=O)N(CC=C)C2=CCCC[C@@]21C(=O)OCC ZINC000203466459 ED Annotated Mild C#CCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OC)CCCC3 ZINC000203468930 ED Annotated Mild C#CCNC(=O)C[C@@H]1C(=O)N(CC=C)C2=CCCCC[C@]21C(=O)OC ZINC000203469184 ED Annotated Mild CCOC(=O)NC[C@@]1(C(=O)OC)CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000203469974 ED Annotated Anodyne CN1C(=O)C[C@@](C#N)(C(=O)NCC(F)(F)F)[C@H]1c1ccccc1 ZINC000203470027 ED Annotated Mild C=CCNC(=O)NC[C@@]1(C(=O)OC)CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000203470230 ED Annotated Mild C[C@@H]1NC(=O)[C@H]2C[C@@]3(c4ccccc4)c4ccccc4N[C@H]3N2C1=O ZINC000203471026 ED Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@]2(C(=O)OCC)CCC3=C2N(CCC3)C1=O ZINC000203472318 ED Annotated Mild O=C(NC1CCCC1)[C@@]1(C(=O)C2CC2)CC(c2ccccn2)=NO1 ZINC000203474210 ED Annotated Anodyne O=C(NC1CCCC1)[C@]1(C(=O)C2CC2)CC(c2ccccn2)=NO1 ZINC000203474217 ED Annotated Anodyne CCOC(=O)C1=NO[C@@](C(C)=O)(C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000203474233 ED Annotated Anodyne CCOC(=O)C1=NO[C@](C(C)=O)(C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000203474239 ED Annotated Anodyne CCN(CC)CCCNC(=O)CSc1nc2cccnc2n1C ZINC000203475354 ED Annotated Anodyne COC(=O)C[C@@H]1OO[C@@](CCC[C@H]2O[C@@H]2C(C)=O)(OC)C[C@@H]1C ZINC000203525566 ED Annotated Reactive COC[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cn2)n1 ZINC000204407340 ED Annotated Anodyne COC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cn2)n1 ZINC000204407355 ED Annotated Anodyne C[C@@H](O)[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 ZINC000204407699 ED Annotated Anodyne C[C@H](O)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204408650 ED Annotated Anodyne C[C@@H](O)[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cn2)n1 ZINC000204410160 ED Annotated Anodyne COC[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 ZINC000204410810 ED Annotated Anodyne COC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 ZINC000204410827 ED Annotated Anodyne C[C@@H](O)[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204411963 ED Annotated Anodyne C[C@@H](O)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204413727 ED Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cnc(N(C)C)nc2)ccc1F ZINC000204414188 ED Annotated Anodyne C[C@H](O)[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204415280 ED Annotated Anodyne CC(C)[C@H](CO)NCc1nc(N2CCC(F)(F)CC2)ncc1F ZINC000204419566 ED Annotated Anodyne N#C[C@H]1C[C@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000204966003 ED Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000204966019 ED Annotated Mild CCc1ccc(CNC(=O)Cn2ncc(N3CCCC3)cc2=O)nc1 ZINC000020500219 ED Annotated Anodyne O=C(CCn1c(=O)c2cccn2c2cccnc21)NCc1ccccn1 ZINC000020512412 ED Annotated Anodyne COCc1cc(=O)[nH]c(-c2ccc(CN(C)Cc3cc[nH]n3)cc2)n1 ZINC000020514899 ED Annotated Anodyne Cc1n[nH]c(CCc2nc(-c3c(C)ncc4c3CCNC4)no2)n1 ZINC000020516075 ED Annotated Anodyne CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCOC(C)C ZINC000020531730 ED Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCC(C)CC1 ZINC000020531830 ED Annotated Anodyne CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@@H](C)CC ZINC000020531890 ED Annotated Anodyne CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@H](C)CC ZINC000020531891 ED Annotated Anodyne Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc([C@@H]3CCCN3)s2)n1 ZINC000020535266 ED Annotated Anodyne Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc([C@H]3CCCN3)s2)n1 ZINC000020535269 ED Annotated Anodyne Cc1csc(CN(C)C(=O)Cn2ncc(N3CCCC3)cc2=O)n1 ZINC000020537928 ED Annotated Anodyne CN1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000020540284 ED Annotated Anodyne CN1CCN(C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000020540286 ED Annotated Anodyne CN1CCCN(c2cnn(CCCc3cccnc3)c(=O)c2)CC1 ZINC000020542243 ED Annotated Anodyne O=c1ccc(-c2ccc(S(=O)(=O)NCc3ccccn3)s2)n[nH]1 ZINC000020574701 ED Annotated Anodyne CC(C)CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574733 ED Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1cccc(C)n1 ZINC000020574826 ED Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000020574893 ED Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NC[C@H]1CCCO1 ZINC000020574894 ED Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCCOC(C)C ZINC000020574935 ED Annotated Anodyne CC(C)Cc1cc(CN2CCN(c3cnn(C)c(=O)c3)CC2)n[nH]1 ZINC000020587377 ED Annotated Anodyne CC(C)c1noc(C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)n1 ZINC000020608504 ED Annotated Anodyne CC(C)c1noc(C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)n1 ZINC000020608506 ED Annotated Anodyne Cc1oc(C(C)C)cc1C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000020725410 ED Annotated Anodyne O=C(O)C1CCC(C/N=c2\c(O)c(O)\c2=N/C2CCCCC2)CC1 ZINC000020760750 ED Annotated Anodyne CCCn1cnc(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000020776011 ED Annotated Anodyne CCCn1cnc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000020776014 ED Annotated Anodyne CN(C)c1cnn(CCCCN2C(=O)c3ccccc3C2=O)c(=O)c1 ZINC000020860019 ED Annotated Anodyne CNCc1cn(CC2CCN(c3ccc(C(C)=O)cn3)CC2)nn1 ZINC000020869010 ED Annotated Anodyne CCn1nc(C)c(-c2ccnc(NCc3nc(C)cc(=O)[nH]3)n2)c1C ZINC000020878112 ED Annotated Anodyne Cc1cccc(CN2CCC[C@](O)(CN3CCN(C)CC3)C2=O)c1 ZINC000020878251 ED Annotated Anodyne Cc1cccc(CN2CCC[C@@](O)(CN3CCN(C)CC3)C2=O)c1 ZINC000020878254 ED Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)C[C@@]23[C@@H]4CCC[N+]2([O-])CCC[C@]3(O)[C@@H]1CC4=O ZINC000205010614 ED Annotated Bother N#C[C@H]1C[C@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000205054036 ED Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000205054055 ED Annotated Mild COC1=C/C(=c2/cnc3n2NC(c2cccc(F)c2)=CC=3)C=CC1=O ZINC000205214149 ED Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@H](OC)C3=CCN(C2)[C@H]31 ZINC000205374828 ED Annotated Anodyne CO[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000205374932 ED Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CCC2=C1C=C[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000205702963 ED Annotated Mild Cc1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000205784604 ED Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCCC3)ccc1OCC2 ZINC000205786836 ED Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1CCO2 ZINC000205786874 ED Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000205787224 ED Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(=O)CO2 ZINC000205787320 ED Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@H](O)CO2 ZINC000205787424 ED Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@@H](O)CO2 ZINC000205787439 ED Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCC3)c(F)cc1OCC2 ZINC000205787610 ED Annotated Mild CCCCC/C=C\C1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@@]23O[C@H]3[C@@H]1O ZINC000205792861 ED Annotated Anodyne CC(C)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)CO ZINC000205810647 ED Annotated Mild CC(C)(O)C#Cc1cc2c(cc1Cl)OCCn1cc(C(N)=O)nc1-2 ZINC000205812367 ED Annotated Mild Nc1ncnn2c([C@@H]3CCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000205817665 ED Annotated Anodyne Nc1ncnn2c([C@H]3CCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000205817684 ED Annotated Anodyne C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccc(O)c([C@@H](C)NCC(=O)O)c21 ZINC000205839306 ED Annotated Clean CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CN(C=O)CCO ZINC000205859763 ED Annotated Anodyne COC1=CC(=O)C([C@@H]2COc3c(ccc(OC)c3O)C2)=C(OC)C1=O ZINC000205878772 ED Annotated Mild COC(=O)c1ccc(O)c2oc3cc(CCO)cc(O)c3c(=O)c12 ZINC000205967477 ED Annotated Bother COC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)OC(C)(C)C)c(C)n2O ZINC000205977575 ED Annotated Anodyne C#CCN1C(=O)[C@@H](C)[C@@](C#N)(C(=O)OC)[C@H]1c1ccc(OC)cc1 ZINC000206021292 ED Annotated Mild C[C@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 ZINC000206048054 ED Annotated Mild C[C@@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 ZINC000206048075 ED Annotated Mild CC(C)(C)OC(=O)N1CCn2ncc(B3OC(C)(C)C(C)(C)O3)c2C1 ZINC000206057856 ED Annotated Mild Cn1cc(Br)cc1-c1ncc(Cc2c[nH]c(N)[n+]2C)o1 ZINC000206063428 ED Annotated Anodyne CC12CO[B-](c3cccc(CNC(=O)OC(C)(C)C)n3)(OC1)OC2 ZINC000206076682 ED Annotated Mild CC1(C)OB(c2c(OC3CC3)cccc2S(N)(=O)=O)OC1(C)C ZINC000206127770 ED Annotated Mild CC1(C)OB(c2cc(OC3CC3)ccc2S(N)(=O)=O)OC1(C)C ZINC000206128083 ED Annotated Mild CC1(C)OB(c2cc(S(N)(=O)=O)ccc2OC2CC2)OC1(C)C ZINC000206128617 ED Annotated Mild CC1(C)OB(c2cc(OC3CC3)cc(S(N)(=O)=O)c2)OC1(C)C ZINC000206128854 ED Annotated Mild CC1(C)OB(c2ccc(S(N)(=O)=O)cc2OC2CC2)OC1(C)C ZINC000206129183 ED Annotated Mild CC1(C)OB(c2ccc(OC3CC3)c(S(N)(=O)=O)c2)OC1(C)C ZINC000206129305 ED Annotated Mild CC1(C)OB(c2ccc(OC3CC3)cc2S(N)(=O)=O)OC1(C)C ZINC000206129543 ED Annotated Mild CC1(C)OB(c2ccc(S(N)(=O)=O)c(OC3CC3)c2)OC1(C)C ZINC000206129579 ED Annotated Mild CC1(C)OB(c2cccc(OC3CC3)c2S(N)(=O)=O)OC1(C)C ZINC000206130013 ED Annotated Mild CC1(C)OB(c2cccc(S(N)(=O)=O)c2OC2CC2)OC1(C)C ZINC000206130087 ED Annotated Mild CN(C)C(=O)c1c(OC2CC2)ccnc1B1OC(C)(C)C(C)(C)O1 ZINC000206136974 ED Annotated Mild CN(C)C(=O)c1c(OC2CC2)cncc1B1OC(C)(C)C(C)(C)O1 ZINC000206137011 ED Annotated Mild CN(C)C(=O)c1cc(OC2CC2)cnc1B1OC(C)(C)C(C)(C)O1 ZINC000206137133 ED Annotated Mild CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ncc1OC1CC1 ZINC000206137172 ED Annotated Mild CN(C)C(=O)c1cc(OC2CC2)cc(B2OC(C)(C)C(C)(C)O2)n1 ZINC000206137252 ED Annotated Mild CN(C)C(=O)c1ccc(OC2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 ZINC000206137409 ED Annotated Mild CN(C)C(=O)c1cnc(B2OC(C)(C)C(C)(C)O2)c(OC2CC2)c1 ZINC000206137481 ED Annotated Mild CN(C)C(=O)c1cnc(B2OC(C)(C)C(C)(C)O2)cc1OC1CC1 ZINC000206137523 ED Annotated Mild CN(C)C(=O)c1nc(B2OC(C)(C)C(C)(C)O2)ccc1OC1CC1 ZINC000206137560 ED Annotated Mild CN(C)C(=O)c1cc(OC2CC2)c(B2OC(C)(C)C(C)(C)O2)cn1 ZINC000206137595 ED Annotated Mild CN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1OC1CC1 ZINC000206137637 ED Annotated Mild CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(OC2CC2)cn1 ZINC000206137676 ED Annotated Mild CN(C)C(=O)c1ncc(OC2CC2)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206137716 ED Annotated Mild CN(C)C(=O)c1ccnc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1 ZINC000206138444 ED Annotated Mild CN(C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1 ZINC000206138487 ED Annotated Mild CN(C)C(=O)c1cncc(OC2CC2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206138528 ED Annotated Mild CN(C)C(=O)c1nccc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1 ZINC000206138568 ED Annotated Mild CN(C)C(=O)c1nccc(OC2CC2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206138612 ED Annotated Mild CC(=O)N1CCN(c2ccncc2B2OC(C)(C)C(C)(C)O2)CC1 ZINC000206170665 ED Annotated Mild CC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 ZINC000206170698 ED Annotated Mild CC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 ZINC000206170732 ED Annotated Mild CC(=O)N1CCN(c2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC1 ZINC000206170760 ED Annotated Mild COC(=O)c1ccc2c(c1)c(B1OC(C)(C)C(C)(C)O1)nn2C(C)=O ZINC000206178093 ED Annotated Mild COC(=O)c1ccc2c(B3OC(C)(C)C(C)(C)O3)nn(C(C)=O)c2c1 ZINC000206178765 ED Annotated Mild CC1(C)OB(c2cnc(N3CCOCC3)c([N+](=O)[O-])c2)OC1(C)C ZINC000206189690 ED Annotated Mild COC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1N1CCCC1 ZINC000206191328 ED Annotated Mild COC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1N1CCOCC1 ZINC000206191370 ED Annotated Mild COc1ncc(N2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206192265 ED Annotated Mild CNc1ncc(N2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206192679 ED Annotated Mild COc1nc(N2CCN(C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 ZINC000206193803 ED Annotated Mild CC1(C)OB(c2cnc(Cl)nc2N2CCOCC2)OC1(C)C ZINC000206194980 ED Annotated Mild CCOc1nc(N2CCOCC2)ncc1B1OC(C)(C)C(C)(C)O1 ZINC000206196062 ED Annotated Mild CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N1CCOCC1 ZINC000206201289 ED Annotated Mild CC1(C)OB(c2c(Cl)ncnc2N2CCOCC2)OC1(C)C ZINC000206203328 ED Annotated Mild CC(C)Oc1ncnc(N2CCOCC2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206203942 ED Annotated Mild CC(C)Oc1ncnc(-n2cccn2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206204018 ED Annotated Mild CC(C)Oc1ncnc(-n2ccnc2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206204058 ED Annotated Mild CC[C@@]12CC[C@@]3(O)Nc4ccccc4[C@@]3(O)CCN(C[C@H]3O[C@H]31)C2 ZINC000206230504 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000206300096 ED Annotated Mild Cc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccncc3)C(=O)C[C@@H]12 ZINC000206390435 ED Annotated Anodyne Cc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccncc3)C(=O)C[C@H]12 ZINC000206390462 ED Annotated Anodyne Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN(C)C)C(=O)C[C@@H]12 ZINC000206390558 ED Annotated Anodyne Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN(C)C)C(=O)C[C@H]12 ZINC000206390586 ED Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CC(=O)N(Cc3cccnc3)C(=O)C1=C(N)O2 ZINC000206391486 ED Annotated Anodyne Cc1ccc2c(c1)[C@H]1CC(=O)N(Cc3cccnc3)C(=O)C1=C(N)O2 ZINC000206391527 ED Annotated Anodyne NC1=C2C(=O)N(Cc3ccc(N)cc3)C(=O)C[C@H]2c2ccccc2O1 ZINC000206392305 ED Annotated Clean NC1=C2C(=O)N(Cc3ccc(N)cc3)C(=O)C[C@@H]2c2ccccc2O1 ZINC000206392339 ED Annotated Clean COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccco3)C(=O)C[C@@H]12 ZINC000206392550 ED Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccco3)C(=O)C[C@H]12 ZINC000206392581 ED Annotated Anodyne COC1=C/C(=c2/ccnc3c2=C(C)NN3c2ccccc2)C=CC1=O ZINC000206395083 ED Annotated Mild COC1=C/C(=c2/ccnc3c2=C(C)NN3c2cccc(F)c2)C=CC1=O ZINC000206395113 ED Annotated Mild Cc1cc(-c2cc([C@@H]3CCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000206410653 ED Annotated Anodyne Cc1cc(-c2cc([C@H]3CCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000206410686 ED Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=c1\[nH]c(=O)c2n(c1=O)CCC=2 ZINC000206608451 ED Annotated Mild COc1c(C)c2c(c(O)c1C/C=C(/C)[C@@H](O)CC(=O)O)C(=O)OC2 ZINC000206735768 ED Annotated Anodyne CC(C)N1CCN(C(=O)OC2CCN(c3cc[nH]c(=O)c3)CC2)CC1 ZINC000206797988 ED Annotated Anodyne CC(C)N1CCN(C(=O)OC2CCN(c3ccc(=O)[nH]c3)CC2)CC1 ZINC000206798037 ED Annotated Anodyne CCN1C=CN(CCN(C)S(=O)(=O)C(F)(F)F)/C1=C/N=O ZINC000206975504 ED Annotated Anodyne Nc1nc(=O)n([C@@H]2CCCS2)cc1S(=O)(=O)c1ccccc1 ZINC000206996779 ED Annotated Anodyne Nc1nc(=O)n([C@H]2CCCS2)cc1S(=O)(=O)c1ccccc1 ZINC000206996823 ED Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(F)c(OC[C@@H]2CCCNC2)cc1F ZINC000207148400 ED Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(F)c(OC[C@H]2CCCNC2)cc1F ZINC000207148444 ED Annotated Anodyne COC(=O)C[C@@]1(O)C=CC(=O)C[C@@H]1NC(=O)/C=C\c1ccccc1 ZINC000207317469 ED Annotated Mild O=C1CC[C@@H](C(=O)Nc2n[nH]c(-c3cccc4ccccc34)n2)NN1 ZINC000207486893 ED Annotated Anodyne O=C1CC[C@H](C(=O)Nc2n[nH]c(-c3cccc4ccccc34)n2)NN1 ZINC000207486931 ED Annotated Anodyne COc1cc(C[C@H](C)O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O ZINC000207532089 ED Annotated Clean C[C@@H]1N[C@@H](c2ncccn2)NC(=O)[C@H]1CC(=O)NC1CCCCCC1 ZINC000207829728 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ncccn2)NC(=O)[C@@H]1CC(=O)NC1CCCCCC1 ZINC000207829806 ED Annotated Anodyne CO[C@H]1C[C@@]23CCN(C)[C@@H](Cc4cc5c(cc42)OCO5)C3=C[C@H]1O ZINC000208162816 ED Annotated Anodyne N#C[C@H]1CN(Cc2cccc(OCc3ccccn3)c2)C(=O)NC1=O ZINC000209015985 ED Annotated Anodyne N#C[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)C(=O)NC1=O ZINC000209016022 ED Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)NN1 ZINC000209025567 ED Annotated Anodyne O=C1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)NN1 ZINC000209025601 ED Annotated Anodyne C=CCN(CC=C)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000209056625 ED Annotated Anodyne C=CCN(CC=C)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000209056658 ED Annotated Anodyne CCN(CCN1C=CN(C)/C1=C\N=O)S(=O)(=O)C(F)(F)F ZINC000209129222 ED Annotated Anodyne CC[C@@H](CN1C=CN(C)/C1=C\N=O)NS(=O)(=O)C(F)(F)F ZINC000209131454 ED Annotated Anodyne CC[C@H](CN1C=CN(C)/C1=C\N=O)NS(=O)(=O)C(F)(F)F ZINC000209131496 ED Annotated Anodyne CN1C=CN(CCCN(C)S(=O)(=O)c2ccccc2)/C1=C/N=O ZINC000209134524 ED Annotated Anodyne CCCN(CCN1C=CN(C)/C1=C\N=O)S(=O)(=O)C(F)(F)F ZINC000209135231 ED Annotated Anodyne CN1C=CN(CCCCCNS(=O)(=O)C(F)(F)F)/C1=C/N=O ZINC000209136937 ED Annotated Anodyne CN1C=CN(CCCN(C)S(=O)(=O)C(F)(F)F)/C1=C/N=O ZINC000209137517 ED Annotated Anodyne CCN(CCN1C=CN(C)/C1=C\N=O)S(=O)(=O)c1ccccc1 ZINC000209137815 ED Annotated Anodyne CCN(CCCN1C=CN(C)/C1=C\N=O)S(=O)(=O)C(F)(F)F ZINC000209138298 ED Annotated Anodyne CN1C=CN(COCCN(C)S(=O)(=O)C(F)(F)F)/C1=C/N=O ZINC000209140009 ED Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(/C=C\C(N)=O)C[C@H]1C=N2 ZINC000209318259 ED Annotated Anodyne O=C1C2=N[C@H]3C[C@@]45C[C@@H](C(=O)C=C4S3)N3CCc4c[nH]c1c4C3=C25 ZINC000209616326 ED Annotated Mild c1c(NCCN2CCOCC2)nnn1C12CC3CC(CC(C3)C1)C2 ZINC000209660772 ED Annotated Anodyne CO[C@@H]1c2ccc(O)c(O)c2OC[C@@]1(O)Cc1ccc(O)c(O)c1 ZINC000209993712 ED Annotated Clean CCOC(=O)Cc1cc(O)n2nc(NCc3ccccc3)nc2n1 ZINC000021178267 ED Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3ccc(C)cc3)nc2n1 ZINC000021178272 ED Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(C)cc3)nc2n1 ZINC000021178278 ED Annotated Anodyne CCc1ccc(CNc2nc3nc(CC(=O)OC)cc(O)n3n2)cc1 ZINC000021178284 ED Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3ccc(F)cc3)nc2n1 ZINC000021178342 ED Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(F)cc3)nc2n1 ZINC000021178347 ED Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3ccc(Cl)cc3)nc2n1 ZINC000021178351 ED Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3ccccc3C)nc2n1 ZINC000021178377 ED Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccccc3C)nc2n1 ZINC000021178382 ED Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccccc3F)nc2n1 ZINC000021178391 ED Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3ccccc3Cl)nc2n1 ZINC000021178396 ED Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3cccc(C)c3)nc2n1 ZINC000021178450 ED Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3cccc(C)c3)nc2n1 ZINC000021178455 ED Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3cccs3)nc2n1 ZINC000021178505 ED Annotated Anodyne CCOC(=O)Cc1c(C)nc2nc(NCc3ccccc3)nn2c1O ZINC000021178521 ED Annotated Anodyne O=C(O)C1CCN(c2nccc3nc(N4CCOCC4)ncc23)CC1 ZINC000021367632 ED Annotated Anodyne COc1ccc([Si](C)(C)c2cc(OC)c3c(c2)OCO3)cc1O ZINC000210387384 ED Annotated Anodyne CCc1cnc(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12 ZINC000210695425 ED Annotated Anodyne in-vitro C=C1CC[C@@H](O)[C@]2(C)C[C@@H]3O[C@]3(C(=C)C(=O)OC)[C@H](OC(C)=O)[C@@H]12 ZINC000210763033 ED Annotated Mild Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)[C@@]4(C)CO)C(=O)OC2=O ZINC000210802213 ED Annotated Reactive CCOC(=O)[C@@H]1CN(C)[C@H](C)[C@](O)(c2ccccc2)[C@@H]1C(=O)OCC ZINC000212575863 ED Annotated Anodyne O=c1c(O)c(/C=C\CO)ccc2c(/C=C\CO)c(O)c(O)c(O)c12 ZINC000213100929 ED Annotated Clean O=c1c(O)c(/C=C/CO)ccc2c(/C=C\CO)c(O)c(O)c(O)c12 ZINC000213100989 ED Annotated Clean C=C(CO)C(=O)OC/C1=C\C[C@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C/CC1 ZINC000213628135 ED Annotated Mild CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H]1C)[C@H]23 ZINC000214499896 ED Annotated Anodyne Cc1cc(NC(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)no1 ZINC000021529627 ED Annotated Anodyne O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NC1CCCC1 ZINC000021529632 ED Annotated Anodyne Cc1ccc(CCNC(=O)c2cc(CN3CCOCC3)on2)cc1 ZINC000021540856 ED Annotated Anodyne Fc1ccccc1-c1noc(N2CCN(c3ncccn3)CC2)n1 ZINC000021630124 ED Annotated Anodyne CCOC(=O)c1cc(Cn2c(=O)c(OCC)nc3cnccc32)on1 ZINC000021634439 ED Annotated Anodyne CCN(CC)CCCNC(=O)c1cnc(N2CCOCC2)nc1C ZINC000021638539 ED Annotated Anodyne CCN1CCN(c2ncc3c(n2)CCN(Cc2ccccn2)C3)CC1 ZINC000021640091 ED Annotated Anodyne CCOC(=O)c1nc(NCCCN2CCCC2=O)c2c(C)noc2n1 ZINC000021646152 ED Annotated Anodyne CC1CCN(C(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)CC1 ZINC000021871398 ED Annotated Anodyne CCOC(=O)c1cc(Cn2c(=O)cc(C)c3c(C)nn(C)c32)on1 ZINC000021921134 ED Annotated Anodyne O=C1NC(=O)N(Cc2ccco2)[C@@H]2NCN(Cc3ccccc3)C[C@@H]12 ZINC000215295053 ED Annotated Anodyne O=C1NC(=O)N(Cc2ccco2)[C@@H]2NCN(Cc3ccccc3)C[C@H]12 ZINC000215295099 ED Annotated Anodyne C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CF ZINC000215747996 ED Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CF ZINC000215748046 ED Annotated Mild C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccccc2)n1 ZINC000215983065 ED Annotated Mild O=C(COc1ccc(O)cc1)NCC(=O)Nc1c(F)cccc1F ZINC000217495483 ED Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1OC[C@]21CCCO1 ZINC000218006886 ED Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1OC[C@]21CCCO1 ZINC000218006965 ED Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1OC[C@@]21CCCO1 ZINC000218007033 ED Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1OC[C@@]21CCCO1 ZINC000218007122 ED Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1OCC21COC1 ZINC000218010897 ED Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1OCC21COC1 ZINC000218010976 ED Annotated Anodyne COC(=O)/C(I)=C/I ZINC000218421178 ED Annotated Anodyne C[C@@H](C(=O)N1CC(C)(C)c2ccc(C#N)cc21)N1CCN[C@H](C)C1 ZINC000219000330 ED Annotated Mild COc1cccc(/C=N/N=C(\N)N/N=C/c2cccc(OC)c2)c1 ZINC000219210342 ED Annotated Mild CC(C)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CO ZINC000219447603 ED Annotated Mild C[C@@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC(C)(C)O)ccc2O1 ZINC000219468102 ED Annotated Mild C[C@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC(C)(C)O)ccc2O1 ZINC000219468179 ED Annotated Mild C[C@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)CO ZINC000219499592 ED Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)CO ZINC000219499650 ED Annotated Mild O=C1CC[C@@H](NC2=N[C@@H](C3CC3)N=C(c3cccc(Cl)c3)N2)CN1 ZINC000219560577 ED Annotated Anodyne O=C1CC[C@@H](NC2=N[C@H](C3CC3)N=C(c3cccc(Cl)c3)N2)CN1 ZINC000219560651 ED Annotated Anodyne O=C1CC[C@H](NC2=N[C@@H](C3CC3)N=C(c3cccc(Cl)c3)N2)CN1 ZINC000219560723 ED Annotated Anodyne O=C1CC[C@H](NC2=N[C@H](C3CC3)N=C(c3cccc(Cl)c3)N2)CN1 ZINC000219560809 ED Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)nc2nc(-c3ccccn3)[nH]n12 ZINC000219614145 ED Annotated Anodyne NC(=O)CC[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O ZINC000219668060 ED Annotated Anodyne Cc1noc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)n1 ZINC000219762375 ED Annotated Anodyne Cc1noc(-c2ccc(N3C[C@@H](Cn4ccnn4)OC3=O)cc2F)n1 ZINC000219762439 ED Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958162 ED Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958235 ED Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960111 ED Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960178 ED Annotated Anodyne in-vitro CS(=O)(=O)C1=C(N)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1 ZINC000022027626 ED Annotated Anodyne CS(=O)(=O)C1=C(N)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1 ZINC000022027629 ED Annotated Anodyne CCS(=O)(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000022458093 ED Annotated Anodyne CCS(=O)(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000022458098 ED Annotated Anodyne CCS(=O)(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000022458104 ED Annotated Anodyne CCS(=O)(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000022458110 ED Annotated Anodyne COCCn1nnnc1[C@@H](c1cccs1)N1CCN2CCC[C@@H]2C1 ZINC000022464094 ED Annotated Anodyne COCCn1nnnc1[C@H](c1cccs1)N1CCN2CCC[C@@H]2C1 ZINC000022464099 ED Annotated Anodyne CCC(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000022472637 ED Annotated Anodyne CCCC(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000022472639 ED Annotated Anodyne CC(C)C(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000022472642 ED Annotated Anodyne Cc1c(CCC(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000220425029 ED Annotated Anodyne CNC(=S)NC[C@H]1CN(c2ccc(-c3nc(C)no3)cc2)C(=O)O1 ZINC000220644528 ED Annotated Anodyne CNC(=S)NC[C@@H]1CN(c2ccc(-c3nc(C)no3)cc2)C(=O)O1 ZINC000220644602 ED Annotated Anodyne O[C@@]1(c2cn(-c3ccc(Br)cc3)nn2)CN2CCC1CC2 ZINC000220709154 ED Annotated Anodyne O[C@]1(c2cn(-c3ccc(Br)cc3)nn2)CN2CCC1CC2 ZINC000220709218 ED Annotated Anodyne Cc1noc(-c2ccc(N3C[C@H](CNC(N)=S)OC3=O)cc2)n1 ZINC000220720365 ED Annotated Anodyne Cc1noc(-c2ccc(N3C[C@@H](CNC(N)=S)OC3=O)cc2)n1 ZINC000220720451 ED Annotated Anodyne COc1ccc2[nH]nc(C(=O)NCC3CCN(CC(=O)O)CC3)c2c1 ZINC000220941915 ED Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Nc3ccccn3)ccc1OCC21COC1 ZINC000220974056 ED Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Nc3ccccn3)ccc1OCC21COC1 ZINC000220974130 ED Annotated Anodyne Cc1c(CC(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000221072966 ED Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nncn2C)n1 ZINC000221130363 ED Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nncn2C)n1 ZINC000221130415 ED Annotated Anodyne CCN(CC)c1nc(-c2cnc(N)nc2)cc(N2C[C@@H]3C[C@H]2CO3)n1 ZINC000221158106 ED Annotated Anodyne N#C[C@H]1CC[C@@H](O)C[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221167744 ED Annotated Mild N#C[C@H]1CC[C@@H](O)C[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221167804 ED Annotated Mild N#C[C@H]1CC[C@H](O)C[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221167852 ED Annotated Mild N#C[C@H]1CC[C@H](O)C[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221167914 ED Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC3)n2)cn1 ZINC000221175014 ED Annotated Anodyne N#C[C@H]1CCC[C@H](O)[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221184177 ED Annotated Mild N#C[C@H]1CCC[C@H](O)[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221184241 ED Annotated Mild N#C[C@H]1[C@@H](O)CCC[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221185974 ED Annotated Mild N#C[C@H]1[C@@H](O)CCC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221186030 ED Annotated Mild N#C[C@H]1[C@H](O)CCC[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221186078 ED Annotated Mild N#C[C@@H]1[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)CCC[C@H]1O ZINC000221186140 ED Annotated Mild CC(=O)N1C[C@H]2C(c3cc(-c4cnc(N)nc4)nc(C4CC4)n3)[C@@H]2C1 ZINC000221190174 ED Annotated Anodyne CC(=O)N1C[C@@H]2C(c3cc(-c4cnc(N)nc4)nc(C4CC4)n3)[C@H]2C1 ZINC000221190277 ED Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@H]4C3)nc(N3CC4CC3C4)n2)cn1 ZINC000221244623 ED Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]4C3)nc(N3CC4CC3C4)n2)cn1 ZINC000221244686 ED Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]4C3)nc(N3CC4CC3C4)n2)cn1 ZINC000221244745 ED Annotated Anodyne Nc1ncc(-c2cc(N3CC4CC3C4)nc(N3CC4CC3C4)n2)cn1 ZINC000221344046 ED Annotated Anodyne COc1cc2[nH]c3nc(N)nc(N4CCOCC4)c3c2cc1OC ZINC000221382622 ED Annotated Anodyne C[C@H](NNC(=O)c1cc[n+]([BH2-]C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000221566957 ED Annotated Reactive C[C@@H](NNC(=O)c1cc[n+]([BH2-]C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000221567011 ED Annotated Reactive CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccncc1C#N ZINC000221635262 ED Annotated Mild CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1cccnc1C#N ZINC000221636304 ED Annotated Mild CCOC(=O)[C@@H]1CN(C)C[C@H](c2cc(OC)c(C)cc2OC)C1=O ZINC000221646706 ED Annotated Anodyne CCOC(=O)[C@H]1CN(C)C[C@H](c2cc(OC)c(C)cc2OC)C1=O ZINC000221646748 ED Annotated Anodyne O=C1[C@H]2C[C@H](Br)C3(OCCO3)[C@H]2[C@H]2CCC[C@@H](O)[C@@H]12 ZINC000221739836 ED Annotated Reactive O=C1[C@H]2C[C@H](Br)C3(OCCO3)[C@H]2[C@@H]2CCC[C@@H](O)[C@@H]12 ZINC000221739886 ED Annotated Reactive O=C1[C@H]2C[C@@H](Br)C3(OCCO3)[C@H]2[C@H]2CCC[C@@H](O)[C@@H]12 ZINC000221739947 ED Annotated Reactive O=C1[C@H]2C[C@@H](Br)C3(OCCO3)[C@H]2[C@@H]2CCC[C@@H](O)[C@@H]12 ZINC000221740011 ED Annotated Reactive N#C[C@H]1CCC[C@@H](O)[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221848153 ED Annotated Mild N#C[C@H]1[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)CCC[C@H]1O ZINC000221874891 ED Annotated Mild NC(N)=Nc1ccc(-c2cc(C(=O)Nc3ccc(O)cc3)[nH]n2)cc1 ZINC000222137745 ED Annotated Mild NC(N)c1ccc(NCCOCCNc2ccc(C(N)N)cc2)cc1 ZINC000222339552 ED Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=c1/[nH]c(=O)c2n(c1=O)CCC=2 ZINC000222364536 ED Annotated Mild N#C[C@@H]1CCC[C@@H](O)[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000222969088 ED Annotated Mild N#C[C@@H]1CCC[C@@H](O)[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000222969147 ED Annotated Mild N#C[C@H]1CCC[C@@H](O)[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000222969225 ED Annotated Mild N#C[C@@H]1[C@H](O)CCC[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000222969289 ED Annotated Mild N#C[C@@H]1[C@@H](O)CCC[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000222969353 ED Annotated Mild N#C[C@@H]1[C@@H](O)CCC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000222969416 ED Annotated Mild N#Cc1cc([C@@]23CO[C@@H](CO)C[C@H]2CSC(N)=N3)c(F)cc1F ZINC000223170696 ED Annotated Mild CC(C)(C)OC(=O)N[C@H](C(=O)NO)c1ccc(-n2cccn2)cc1 ZINC000223256046 ED Annotated Bother in-vitro Cc1c(C(N)=O)sc2nc(-c3ccncc3)nc(NCCN)c12 ZINC000223673287 ED Annotated Anodyne CC(C)CC(=O)NC(=O)c1c[nH]c([C@H](O)c2ccccc2)cc1=O ZINC000224296199 ED Annotated Anodyne CO[C@H]1O[C@@H]2[C@@H](O)C=C3CCN(C)[C@H]3[C@@H]2c2cc3c(cc21)OCO3 ZINC000224367767 ED Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CO)c2F)cn1 ZINC000224563968 ED Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CO)c2F)cn1 ZINC000224564011 ED Annotated Anodyne COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(O)cc(OC)cc1C2=O ZINC000224656557 ED Annotated Clean COc1cc(-c2cc([C@H](O)C3CC3)n3ncnc(N)c23)ccc1CO ZINC000224954874 ED Annotated Anodyne COc1cc(-c2cc([C@@H](O)C3CC3)n3ncnc(N)c23)ccc1CO ZINC000224954916 ED Annotated Anodyne Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)cc3)c12 ZINC000224955136 ED Annotated Anodyne CC[C@@H](c1nc2ccccc2c(=O)n1CCOC)N1CCNCC1 ZINC000022580507 ED Annotated Anodyne CC[C@H](c1nc2ccccc2c(=O)n1CCOC)N1CCNCC1 ZINC000022580512 ED Annotated Anodyne Fc1ccc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)cc1 ZINC000022583409 ED Annotated Anodyne CCN1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)CC)CC1 ZINC000022585441 ED Annotated Anodyne CCN1CCN([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)CC)CC1 ZINC000022585446 ED Annotated Anodyne CCN1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)CC)CC1 ZINC000022585450 ED Annotated Anodyne CCN1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)CC)CC1 ZINC000022585454 ED Annotated Anodyne Cc1ccn2cc(CCNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)nc2c1 ZINC000022610640 ED Annotated Anodyne Cc1ccn2cc(CCNC(=O)[C@H]3CC=CC[C@H]3C(=O)O)nc2c1 ZINC000022610648 ED Annotated Anodyne C/N=C(/S)N/N=C1\C2CN3CCN(C2)CC1(c1ccccc1)C3 ZINC000022797838 ED Annotated Mild OCC[C@@H]1CN(Cc2cc[nH]n2)CCN1Cc1ccc(F)c(F)c1 ZINC000022918451 ED Annotated Anodyne OCC[C@H]1CN(Cc2cc[nH]n2)CCN1Cc1ccc(F)c(F)c1 ZINC000022918455 ED Annotated Anodyne OC1(c2ccccc2F)C[C@@H]2CC[C@H](C1)N2CCN1CCOCC1 ZINC000022919119 ED Annotated Anodyne CCN1CCN(C)C[C@@H](NC(=O)c2cc(Cl)cn3ccnc23)C1 ZINC000022928237 ED Annotated Anodyne CCN1CCN(C)C[C@@H](NC(=O)c2cc(Cl)cc3c2OCC3)C1 ZINC000022928245 ED Annotated Anodyne COc1cc(CCCN2CCNC[C@@H]2[C@@H](C)O)cc(OC)c1OC ZINC000022929365 ED Annotated Anodyne COc1cc(CCCN2CCNC[C@@H]2[C@H](C)O)cc(OC)c1OC ZINC000022929369 ED Annotated Anodyne Cc1ccc(CN2CCN(Cc3cn(C)nc3C)C[C@@H]2CCO)o1 ZINC000022932756 ED Annotated Anodyne CCC[C@H](CN[C@@H](CNC)[C@H](C)O)NCCc1ccc(OC)cc1 ZINC000022938913 ED Annotated Anodyne Cc1cc(NC(=O)CCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n[nH]1 ZINC000225156100 ED Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C4OCCO4)C=C[C@@]3(C)O2)cc1 ZINC000227191290 ED Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C4OCCO4)C=C[C@@]3(C)O2)cc1 ZINC000227191294 ED Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C3OCCO3)O2)cc1 ZINC000227191299 ED Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C4OCCO4)C=C[C@@]3(C)O2)cc1 ZINC000227191305 ED Annotated Anodyne CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C[C@@]23C=C[C@H]1O3 ZINC000227223848 ED Annotated Anodyne CCCOc1ccc([C@H]2[C@]3(C#N)C4(N=C(N)[C@@]23C#N)OCCO4)cc1 ZINC000227226159 ED Annotated Mild CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 ZINC000227228043 ED Annotated Anodyne CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@H]1O3 ZINC000227228050 ED Annotated Anodyne CCC[C@H]1[C@@H](c2ccccc2)[C@@]2(C#N)C(=O)N[C@@]1(O)CC2(C#N)C#N ZINC000227253624 ED Annotated Mild CCC[C@@H]1[C@H](c2ccccc2)[C@@]2(C#N)C(=O)N[C@@]1(O)CC2(C#N)C#N ZINC000227253630 ED Annotated Mild CCC[C@H]1[C@H](c2ccccc2)[C@@]2(C#N)C(=O)N[C@@]1(O)CC2(C#N)C#N ZINC000227253638 ED Annotated Mild CCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270759 ED Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270765 ED Annotated Anodyne CCN(CC)CCCN1S(=O)(=O)c2ccccc2S1(=O)=O ZINC000227597093 ED Annotated Anodyne in-vitro CC(/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](O)C2=CO1)=C\[C@@H](C)CCO ZINC000229758149 ED Annotated Mild COCCN1CCN(C(=O)c2cn(C3CCCCCC3)nn2)CC1 ZINC000023128435 ED Annotated Anodyne Cc1cc(C)n(CCNC(=O)c2ccc([C@@H]3CCCN3)s2)c(=O)n1 ZINC000023146006 ED Annotated Anodyne Cc1cc(C)n(CCNC(=O)c2ccc([C@H]3CCCN3)s2)c(=O)n1 ZINC000023146008 ED Annotated Anodyne CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000023153272 ED Annotated Anodyne CN(CCc1ccccn1)[C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000023153273 ED Annotated Anodyne O=C([C@@H]1CCc2ccccc2O1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000023158537 ED Annotated Anodyne O=C([C@H]1CCc2ccccc2O1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000023158540 ED Annotated Anodyne O=C([C@@H]1CCc2ccccc2O1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000023158543 ED Annotated Anodyne O=C([C@H]1CCc2ccccc2O1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000023158546 ED Annotated Anodyne OC[C@@H]1CCCN1Cc1cn(C2CCN(C3CCCC3)CC2)nn1 ZINC000023159309 ED Annotated Anodyne CC(C)CNC(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000023159342 ED Annotated Anodyne CC(C)CNC(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000023159344 ED Annotated Anodyne Cc1c([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)cnn1-c1ccccn1 ZINC000023191816 ED Annotated Anodyne Cc1c([C@H](C)NC(=O)c2ccc(=O)n(C)n2)cnn1-c1ccccn1 ZINC000023191820 ED Annotated Anodyne CNCc1cn(CC2CCN(C(=O)NCC3CCCCC3)CC2)nn1 ZINC000023213907 ED Annotated Anodyne OCc1cn(C2CCN(Cc3ccc(-n4cncn4)cc3)CC2)nn1 ZINC000023213910 ED Annotated Anodyne CC(C)N(C)Cc1nnnn1CC(=O)N1CCc2sccc2C1 ZINC000023213976 ED Annotated Anodyne CC(C)CCc1n[nH]c2c1CN(C(=O)c1ccc3nnnn3c1)CC2 ZINC000023215073 ED Annotated Anodyne Cn1ncnc1-c1ccnc(NCc2nc(-c3ccncc3)n[nH]2)n1 ZINC000023250608 ED Annotated Anodyne CCn1cc(NC(=O)Cn2ccnc2C(=O)c2ccc(C)cc2)nn1 ZINC000023310486 ED Annotated Anodyne CN1C[C@@]2(C)CN(c3nccc(-c4ncnn4C)n3)C[C@@](C)(C1)C2 ZINC000023311213 ED Annotated Anodyne CO[C@@](C(=O)NCc1cc(=O)[nH]cn1)(c1ccccc1)C(F)(F)F ZINC000023337195 ED Annotated Anodyne CO[C@](C(=O)NCc1cc(=O)[nH]cn1)(c1ccccc1)C(F)(F)F ZINC000023337197 ED Annotated Anodyne Oc1cc(CCCn2cncn2)nc2nc(-c3ccc(F)cc3)nn12 ZINC000023340290 ED Annotated Anodyne Cc1cccc(-c2ncc(CN3CCN(C)[C@@H](CCO)C3)cn2)c1 ZINC000023360308 ED Annotated Anodyne Cc1nonc1CN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000023367436 ED Annotated Anodyne Cc1cc(-c2n[nH]c3c2CN(C(=O)c2[nH]nc4c2CCC4)CC3)no1 ZINC000023367815 ED Annotated Anodyne CS(=O)(=O)N1CCC[C@@H](Cn2cc(Cc3ccccc3)nn2)C1 ZINC000023368708 ED Annotated Anodyne CS(=O)(=O)N1CCC[C@H](Cn2cc(Cc3ccccc3)nn2)C1 ZINC000023368712 ED Annotated Anodyne Cc1cnc(NC[C@H]2CC(=O)N(C3CC3)C2)nc1-c1cnn(C)c1 ZINC000023369435 ED Annotated Anodyne Cc1cnc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc1-c1cnn(C)c1 ZINC000023369439 ED Annotated Anodyne CC[C@@H](O)CNC(=O)C1(N2CCN(CC)CC2)Cc2ccccc2C1 ZINC000023372869 ED Annotated Anodyne CC[C@H](O)CNC(=O)C1(N2CCN(CC)CC2)Cc2ccccc2C1 ZINC000023372872 ED Annotated Anodyne Nc1ncc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)cn1 ZINC000023374653 ED Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C(=O)NCc2cc(=O)[nH]c(C)n2)c1C ZINC000023398459 ED Annotated Anodyne Cc1noc(C)c1NC(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000023398585 ED Annotated Anodyne Cc1noc(C)c1NC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000023398588 ED Annotated Anodyne Cc1n[nH]c(/N=C(\O)N2CCC(C(=O)NCc3ccco3)CC2)n1 ZINC000023399172 ED Annotated Mild Cc1n[nH]c(NC(=O)NCCN2N=C(c3ccccc3)CCC2=O)n1 ZINC000023429699 ED Annotated Anodyne O=C(NCCN1CCCOC1=O)Nc1nnc(C(F)(F)F)s1 ZINC000023430711 ED Annotated Anodyne CSCCc1[nH]nc2c1CN(C(=O)c1nn(C)cc1Cl)CC2 ZINC000023431956 ED Annotated Anodyne Cc1nc(CCNc2nc(N(C)C)nc3c2CCCC3)cc(=O)[nH]1 ZINC000023478333 ED Annotated Anodyne NCc1cn(C2CCN(Cc3cccn3-c3ncccn3)CC2)nn1 ZINC000023478458 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@@H]2C[C@@H](OC(=O)/C(C)=C/C)C[C@@H]1N2C ZINC000230064555 ED Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@H](O)[C@H](OC(=O)/C(C)=C/C)[C@H](C1)N2C ZINC000230064560 ED Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1[C@@H]2C[C@H](OC(=O)/C(C)=C/C)C[C@@H]([C@H]1O)N2C ZINC000230064565 ED Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@H](C1)N2C ZINC000230064569 ED Annotated Anodyne in-man C=C1[C@H]2CC[C@@]34[C@H]1[C@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@@]42C[C@@H](O)C[C@@]1(C)C(=O)O2 ZINC000230069770 ED Annotated Mild in-man C=C1[C@H]2CC[C@@]34[C@@H]1[C@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@@]42C[C@@H](O)C[C@@]1(C)C(=O)O2 ZINC000230069777 ED Annotated Mild in-man C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@@]42C[C@@H](O)C[C@@]1(C)C(=O)O2 ZINC000230069788 ED Annotated Mild in-man C=C1[C@H]2CC[C@@]34[C@@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@@]42C[C@@H](O)C[C@@]1(C)C(=O)O2 ZINC000230069795 ED Annotated Mild in-man C=C1[C@H]2C[C@@H](O)[C@@]34[C@H]1[C@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@@]42CCC[C@@]1(C)C(=O)O2 ZINC000230069827 ED Annotated Mild in-man C=C1[C@H]2[C@@]34C[C@@H]1C[C@@H](O)[C@@]23[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]4C(=O)O ZINC000230069836 ED Annotated Mild in-man C=C1[C@H]2C[C@@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@@]42CCC[C@@]1(C)C(=O)O2 ZINC000230069842 ED Annotated Mild in-man C=C1[C@H]2[C@]34C[C@@H]1C[C@@H](O)[C@@]23[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]4C(=O)O ZINC000230069850 ED Annotated Mild in-man CC(/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](O)C2=CO1)=C\[C@H](C)CCO ZINC000230076479 ED Annotated Mild C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230080334 ED Annotated Mild in-man C=C1C[C@]23C[C@@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230080340 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230080345 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230080354 ED Annotated Mild in-man C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000230080501 ED Annotated Mild in-man endogenous C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]12 ZINC000230080506 ED Annotated Mild in-man C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000230080510 ED Annotated Mild in-man C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]12 ZINC000230080515 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080667 ED Annotated Mild in-man C=C1C[C@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080677 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080683 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080687 ED Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@@]45CC[C@@H](O)[C@@](C)(C(=O)O4)[C@@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000230080692 ED Annotated Mild in-man C=C1[C@@H]2CC[C@H]3[C@@]45CC[C@@H](O)[C@@](C)(C(=O)O4)[C@@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000230080698 ED Annotated Mild in-man C=C1[C@H]2CC[C@@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@]4(C)C(=O)O[C@@]23CC[C@H]4O)[C@@H]1O ZINC000230080705 ED Annotated Mild in-man C=C1[C@@H]2CC[C@@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@]4(C)C(=O)O[C@@]23CC[C@H]4O)[C@@H]1O ZINC000230080712 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230080776 ED Annotated Mild in-man C=C1C[C@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230080787 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230080792 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230080797 ED Annotated Mild in-man C=C1[C@@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080800 ED Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080810 ED Annotated Mild in-man endogenous C=C1[C@@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080813 ED Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080821 ED Annotated Mild in-man C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000230085907 ED Annotated Mild in-man C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]12 ZINC000230085910 ED Annotated Mild in-man C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]12 ZINC000230085917 ED Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230087995 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088000 ED Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088006 ED Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088495 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088500 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088503 ED Annotated Mild in-man C=C1C[C@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088507 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230091766 ED Annotated Mild in-man C=C1C[C@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230091771 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230091776 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230091780 ED Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230091907 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230091913 ED Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230091920 ED Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230092559 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230092568 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230092576 ED Annotated Mild in-man C=C1C[C@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230092583 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230097954 ED Annotated Mild in-man C=C1C[C@]23C[C@@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230097961 ED Annotated Mild in-man C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230097964 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230097971 ED Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230101067 ED Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230101072 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230101077 ED Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230101082 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230102087 ED Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230102099 ED Annotated Mild in-man Cn1cc([C@@H](NC(=O)c2cnc3c(c2)CCCC3)C2CC(O)C2)cn1 ZINC000230475420 ED Annotated Anodyne COc1ccc([C@H](NC(=O)Cc2c(C)noc2C)C2CC(O)C2)cn1 ZINC000230486127 ED Annotated Anodyne Cn1cc([C@@H](NC(=O)c2ccc3c(c2)CCO3)C2CC(O)C2)cn1 ZINC000230496862 ED Annotated Anodyne N#Cc1ccc(CCNc2nc3cc4[nH]c(N)nc(=O)c4cc3[nH]2)cc1 ZINC000230498210 ED Annotated Mild in-vitro Cn1cc([C@@H](NC(=O)c2cccc3nccnc23)C2CC(O)C2)cn1 ZINC000230499458 ED Annotated Anodyne COc1ccc([C@H](NC(=O)CCN2CCCCO2)C2CC(O)C2)cn1 ZINC000230501651 ED Annotated Anodyne CCCc1nnsc1C(=O)N[C@@H](C1CCNCC1)C1CC(O)C1 ZINC000230504454 ED Annotated Anodyne O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1n[nH]c2c1CCCC2 ZINC000230524617 ED Annotated Anodyne CC(=O)c1cc(CC(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cs1 ZINC000230527912 ED Annotated Anodyne O=C(Cc1noc2ccccc12)N[C@H](C1CCNCC1)C1CC(O)C1 ZINC000230533174 ED Annotated Anodyne Cc1noc(C)c1CC(=O)N[C@@H](Cc1ccccn1)C1CC(O)C1 ZINC000230543154 ED Annotated Anodyne O=C(NN1CCCCCC1)NS(=O)(=O)c1ccc(C(=O)O)cc1 ZINC000230545397 ED Annotated Anodyne CCCc1nnsc1C(=O)N[C@@H](Cc1ccccn1)C1CC(O)C1 ZINC000230550704 ED Annotated Anodyne O=C(N[C@@H](c1cccs1)C1CC(O)C1)c1n[nH]c2c1COCC2 ZINC000230558713 ED Annotated Anodyne Nc1nc(-c2ccccn2)nc(-n2nc(-c3ccccc3)cc2N)n1 ZINC000230560761 ED Annotated Anodyne O=C(N[C@@H](c1ccccn1)C1CC(O)C1)C1(Cn2cccn2)CC1 ZINC000230561874 ED Annotated Anodyne CCc1nc(C)c(C(=O)N[C@H](C2CCNCC2)C2CC(O)C2)s1 ZINC000230567592 ED Annotated Anodyne Cc1c(Cl)c(C(=O)N[C@H](C2CCNCC2)C2CC(O)C2)nn1C ZINC000230604036 ED Annotated Anodyne CC(C)[C@@H]1OC(=O)C=C2C1=C[C@@H]1OC(=O)[C@]3(C)[C@H](O)[C@@H]4O[C@@H]4[C@]2(C)[C@H]13 ZINC000231196637 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@@H]2C[C@H](OC(=O)/C(C)=C/C)C[C@H]([C@H]1O)N2C ZINC000231211497 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H]2[C@H](OC(=O)CC(C)C)[C@H](O)[C@@H](C1)N2C ZINC000231211561 ED Annotated Anodyne COc1cc(O)c2c(c1O)C(=O)c1ccc(O)c(C(C)=O)c1C2=O ZINC000231235835 ED Annotated Clean CCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 ZINC000231401000 ED Annotated Anodyne COc1ccc(C[C@]2(O)COc3cc(O)cc(O)c3C2=O)cc1O ZINC000231401790 ED Annotated Anodyne CCNc1nc(C)c(C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)s1 ZINC000023506043 ED Annotated Anodyne O=c1cc([C@@H]2CCCN(CCn3c(=O)oc4ccccc43)C2)nc[nH]1 ZINC000023543416 ED Annotated Anodyne O=c1cc([C@H]2CCCN(CCn3c(=O)oc4ccccc43)C2)nc[nH]1 ZINC000023543420 ED Annotated Anodyne O=C(NCC1CCS(=O)(=O)CC1)Nc1nnc(C2CCC2)s1 ZINC000023581090 ED Annotated Anodyne COc1cccc(-n2cc([C@@H](C)NC(=O)Nc3nnn[nH]3)cn2)c1 ZINC000023581743 ED Annotated Anodyne COc1cccc(-n2cc([C@H](C)NC(=O)Nc3nnn[nH]3)cn2)c1 ZINC000023581745 ED Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H](C[C@H](O)[C@]23CO3)C1=C ZINC000238730667 ED Annotated Mild COc1ccc2c(c1O)[C@]13CC[C@H](O)[C@@]4(O)O[C@H]2C[C@@]41N(C)CC3 ZINC000238730712 ED Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@@H](O)[C@H](OC)C[C@]321 ZINC000238730925 ED Annotated Anodyne C=C1[C@@H]2C=CC(=O)[C@@](C[C@H]3OC(=O)[C@]4(C)CCC[C@@](C)(O)[C@H]34)(C2)[C@H]1O ZINC000238730926 ED Annotated Mild C=C1[C@@H]2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@]23C[C@H](CO)[C@H](CC[C@@H]12)C3 ZINC000238730950 ED Annotated Mild COc1c(O)cc2c(=O)oc3cc4c(c5c(=O)oc1c2c35)OCO4 ZINC000238731118 ED Annotated Bother CC(=O)O[C@H]1CC[C@H]2N3CC[C@@]2(c2cc4c(cc2C3)OCO4)[C@@H]1O ZINC000238731355 ED Annotated Anodyne COc1cc(O[C@H](CO)[C@H](O)c2ccc(O)c(OC)c2)ccc1O ZINC000238731420 ED Annotated Anodyne CCC[C@@](C)(O)[C@@H]1C[C@@H](C)C[C@]2(CN3CCC[C@H]3[C@@](C)(O)[C@@H]2O)O1 ZINC000238731505 ED Annotated Anodyne C=C(C)O[C@H]1C[C@@](C)(O)[C@]23C=C[C@](C)(OO2)[C@@H]3[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238731563 ED Annotated Reactive CC[C@@H](C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@@H](OC(C)=O)[C@@H]1C(C)C ZINC000238731839 ED Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C=C(C)[C@]1(O)C=C[C@](C)(OO)[C@H]21 ZINC000238731955 ED Annotated Reactive C=C(C=O)[C@@H]1C[C@@H](OC(=O)/C=C\c2ccc(O)cc2)C(CO)=C1C=O ZINC000238732056 ED Annotated Reactive CO[C@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)O[C@H]2CN(C)[C@H]3C1)OCO5 ZINC000238732666 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23O[C@@H]2CN2CCCc4cc5c(cc4[C@@]23C1)OCO5 ZINC000238733328 ED Annotated Anodyne C/C=C/C=C/C(=O)O[C@H]1CC/C=C/[C@H](O)[C@@H](O)[C@@H](CCC)OC1=O ZINC000238733734 ED Annotated Anodyne CS[C@]1(Cc2ccccc2)CN(C)[C@](CO)(SC)C(=O)N1C ZINC000238734026 ED Annotated Anodyne C=C(C)[C@@H]1C[C@@]23C(=O)[C@H](C(=O)C(C)C)C(=O)[C@]2(O)C(=O)C[C@H]3C1(C)C ZINC000238734246 ED Annotated Mild N[C@@H](CCC1=CN2C=CCC[C@@H]2[C@H]2CC[C@@H](C(=O)O)N=C12)C(=O)O ZINC000238734293 ED Annotated Anodyne COC1=C(C)C(=O)/C(=C(\N)CCc2ccc(O)cc2)C(=O)[C@@]1(C)O ZINC000238734296 ED Annotated Mild COC1=C(C)C(=O)/C(=C(/N)CCc2ccc(O)cc2)C(=O)[C@@]1(C)O ZINC000238734477 ED Annotated Mild CO[C@H]1C=C[C@]23c4cc5c(cc4CO[C@@]2(O)CN(C)[C@H]3C1)OCO5 ZINC000238734558 ED Annotated Anodyne C/C=C(/CO)C(=O)OCC1=CCN2CC[C@@H](OC(=O)C=C(C)C)[C@@H]12 ZINC000238734860 ED Annotated Anodyne CC(=O)O[C@H]1[C@H](/C=C(C)/C=C/C2CC2)N2CC[C@H]3O[C@H]3[C@@H]2[C@]1(C)O ZINC000238734868 ED Annotated Anodyne O=C1C[C@H]2[C@H]3CCN(c4ccc(CCO)cc4)[C@H]3[C@@H]1[C@H]1OCC[C@@]21O ZINC000238734917 ED Annotated Anodyne CC[C@@H](C)C(=O)OCc1ccc([C@@](O)(CO)COC(C)=O)c(O)c1 ZINC000238735561 ED Annotated Anodyne COc1cc(O)c2c(c1O)C(=O)C1=C(CC[C@H](CC(C)=O)O1)C2=O ZINC000238735744 ED Annotated Mild C=C(C(=O)OC)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O)[C@H](OC(C)=O)[C@H]12 ZINC000238735824 ED Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238736012 ED Annotated Mild N[C@@H](CCC1=CN2CCCC[C@@H]2[C@H]2CC[C@@H](C(=O)O)N=C12)C(=O)O ZINC000238736221 ED Annotated Anodyne COc1cc2c3c4c1O[C@@]1(O)C[C@@]4(CC[C@@H]1O)CC[C@H]3N(C)CC2 ZINC000238736418 ED Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1[C@@H](OC)CO[C@@H]1O2 ZINC000238736489 ED Annotated Anodyne C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O ZINC000238736727 ED Annotated Anodyne C=C1[C@@H]2C=CC(=O)[C@@](C[C@H]3OC(=O)[C@]4(C)CCC[C@@](C)(O)[C@H]34)(C2)[C@@H]1O ZINC000238737061 ED Annotated Mild CO[C@@H]1C[C@@H]2N3CC[C@]2(c2cc4c(cc2C3)OCO4)[C@H]2NCC=C[C@H]21 ZINC000238737301 ED Annotated Anodyne COc1cc2c(cc1O)[C@]13C[C@@H](OC)C=C[C@]14O[C@@H]4CN3CCC2 ZINC000238737364 ED Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12CC(=O)[C@](C)([C@H](O)[C@@H](O)C1)[C@@H]2[C@@H]3C(=O)O ZINC000238738359 ED Annotated Mild C[C@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@@]1(C)O2)[C@H]34 ZINC000238738568 ED Annotated Anodyne COc1cc(CC(=O)O)c2c(=O)c(/C(O)=C/C(C)=O)coc2c1O ZINC000238738575 ED Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O ZINC000238738855 ED Annotated Mild CC(=O)OC[C@]1(O)C=Cc2c(cc3oc(C)cc(=O)c3c2O)OC1 ZINC000238738937 ED Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@](CC[C@H]4[C@](C)(CO)C[C@@H](O)C[C@@]34C)([C@H]1O)[C@@H]2O ZINC000238739029 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@@](C)(CO)[C@H]1C[C@H]3O ZINC000238739109 ED Annotated Mild C/C1=C\C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@@H]23 ZINC000238739207 ED Annotated Anodyne COC(=O)[C@@]1(c2cc3ccccc3[nH]2)COC[C@H]2O[C@]23CNCC[C@H]13 ZINC000238739248 ED Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)O[C@]23C(=O)C=C(C)[C@]3(C)[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000238739598 ED Annotated Mild C=C(OC)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238739654 ED Annotated Mild C=C1[C@@H]2CC[C@H]3C(C)=C[C@]2(C[C@@]2(O)[C@@H](O)C(C)(C)[C@@H](O)C[C@H]12)[C@H]3O ZINC000238739829 ED Annotated Mild C[C@H]1C[C@@]2(CC[C@H]3CN4[C@@H]([C@H]5C[C@@H](C)C(=O)O5)CC[C@]42O3)OC1=O ZINC000238739852 ED Annotated Anodyne COc1cc2c3c(c1OC)C1=CC[C@H](O)C[C@@H](O)[C@@H](O1)[C@@H]3N(C)CC2 ZINC000238739906 ED Annotated Anodyne C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238740135 ED Annotated Mild COc1cc(O)c2c(c1)C(=O)c1c(cc(C(=O)O)c(C)c1O)C2=O ZINC000238740258 ED Annotated Clean C[C@H]1C=C[C@H]2C[C@H](O)CC[C@H]2[C@@H]1c1cc(NCCO)c(C=O)c(=O)o1 ZINC000238740403 ED Annotated Anodyne C=C1C/C(=C/C)C(=O)O[C@@H]2C=CN3CC[C@@H](COC(=O)[C@@]1(C)O)[C@H]23 ZINC000238740567 ED Annotated Mild C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 ZINC000238740614 ED Annotated Mild CCOc1cc(OC)c(O)c2c1C(=O)[C@@H]1CO[C@](C)(O)C[C@@H]1C2=O ZINC000238740694 ED Annotated Clean OC[C@]12O[C@@H]3[C@@H](OC34CCCCC4)[C@H](O)[C@H]1OC1(CCCCC1)O2 ZINC000238740849 ED Annotated Anodyne COc1c2c(cc3c1[C@H]1[C@H]4C(=CC[C@H]1O[C@H]3O)CCN4C)OCO2 ZINC000238741080 ED Annotated Anodyne COc1c2c(c(C)c3c(C)coc13)[C@]1(C)O[C@@]2(OC)OC(=O)[C@H]1O ZINC000238741196 ED Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238741228 ED Annotated Mild C=C1C(=O)[C@@]23CO[C@H]4CC(=O)C(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1C3 ZINC000238741259 ED Annotated Mild COC(=O)c1cc(/C=C/N2CCC[C@@H]2C(=O)OC)cc(C(=O)OC)n1 ZINC000238741335 ED Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]([C@@H]4O[C@@H]42)[C@@]24CCCC(C)(C)[C@H]2[C@H](O)[C@]3(O)OC4)[C@@H]1O ZINC000238741389 ED Annotated Mild CC(C)S(=O)(=O)[C@]1(C)CC[C@H]2[C@H]1[C@H]1C(=O)CC[C@]2(C)S1(=O)=O ZINC000238741550 ED Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238741741 ED Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O)CC(C)(C)[C@H]4[C@H](O)C[C@@]3([C@@H]1O)[C@@H]2O ZINC000238741943 ED Annotated Mild CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@@H](OO)C(C)=C2[C@H]2OC(=O)[C@@H](C)[C@@H]12 ZINC000238742020 ED Annotated Reactive Cc1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)c(O)cc(O)c1C2=O ZINC000238742120 ED Annotated Clean C/C=C1/CN2CC[C@@]34C(=C(C(=O)OC)[C@@H]1[C@@H](O)[C@@H]23)Nc1ccccc14 ZINC000238742206 ED Annotated Anodyne C[C@H]1CC(=O)C2=C(C=C[C@]3(O)[C@@H](O)c4c(O)cccc4[C@H](O)[C@@H]23)C1 ZINC000238742413 ED Annotated Mild C=C1[C@H](O)[C@]23C[C@@H](O)[C@H]4C(C)(C)C[C@@H](O)C[C@]4(C)[C@H]2CC[C@H]1[C@H]3O ZINC000238742530 ED Annotated Mild COC(=O)[C@]1(c2c(OC)oc3cccc(O)c3c2=O)OC=C(C)C1=O ZINC000238742649 ED Annotated Mild COc1ccc(O)c2c1C(=O)c1cc(O)c(C(=O)O)c(C)c1C2=O ZINC000238742831 ED Annotated Clean C=C(C)C(=O)O[C@H]1[C@H]2[C@H](OC(=O)[C@@H]2C)[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000238742832 ED Annotated Mild C/C=C(\CO)C(=O)OCC1=CCN2CC[C@@H](OC(=O)C=C(C)C)[C@@H]12 ZINC000238742869 ED Annotated Anodyne COc1c2c(cc3c1[C@]14CCN(C3)[C@H]1C[C@H](OC)[C@@H]1O[C@@H]14)OCO2 ZINC000238742882 ED Annotated Anodyne CN1[C@@H]([C@@H]2SSC[C@@H]2O)CC[C@@H]1[C@@H]1CSS[C@@H]1O ZINC000238742920 ED Annotated Reactive CC[C@@]12ON1[C@H]1C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]2[C@@H]1CO3 ZINC000238742984 ED Annotated Anodyne C=C(C)[C@H]1CC(=O)CC2=C(C1)[C@H]1C(=O)O[C@H]3C[C@@](C)(O)[C@@H](C2=O)[C@H]31 ZINC000238743130 ED Annotated Mild C=C1C(=O)O[C@H]2C[C@]3(CO3)[C@@H]3C[C@@H](OC(=O)CC)C(=C)[C@]3(O)C[C@H]12 ZINC000238743212 ED Annotated Mild CO[C@@H]1C[C@@]23C(=C[C@H]1O)CC(=O)N2CCc1cc2c(cc13)OCO2 ZINC000238743269 ED Annotated Anodyne C[C@@H]1C[C@@H]2C[C@H]3/C=C4/C(=O)C[C@H](C[C@@H](O)C[C@H]3C=C2C1=O)OC4=O ZINC000238743285 ED Annotated Mild CO[C@H]1C=C[C@@]23c4cc5c(cc4[C@@H](OC)N(C[C@H]2O)[C@H]3C1)OCO5 ZINC000238743343 ED Annotated Anodyne C=C1[C@@H]2CC(=O)C(C)(C)[C@@]2(O)[C@H](O)C[C@]23C=C(C)[C@H](CC[C@H]12)[C@@H]3O ZINC000238743466 ED Annotated Mild C=C1CCC[C@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@]2(O)[C@@H](OC(=O)C(=C)C)C1 ZINC000238743495 ED Annotated Mild COc1c2c(cc3c1[C@@]14CCN(C3)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]14)OCO2 ZINC000238743696 ED Annotated Anodyne CC(=O)C1=COC[C@H]2[C@@H]1C[C@H]1N[C@@H]2C[C@@]12C(=O)N(C)c1ccccc12 ZINC000238743760 ED Annotated Mild CO[C@H]1C=C2CCN(C)[C@@H]2[C@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000238743878 ED Annotated Anodyne O=C(O)c1c(C[C@H]2NCCc3cc4c(cc32)OCO4)ccc(O)c1O ZINC000238744645 ED Annotated Clean C=C1C[C@]23C[C@H]1[C@H](O)C=C2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238744714 ED Annotated Mild CO[C@H]1C=C[C@@]23O[C@@H]2CN2CCCc4cc5c(cc4[C@@]23C1)OCO5 ZINC000238744742 ED Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)[C@@H](C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O ZINC000238744904 ED Annotated Reactive N[C@@H](CCC1=CN2C=CCC[C@H]2[C@H]2CC[C@@H](C(=O)O)N=C12)C(=O)O ZINC000238745022 ED Annotated Anodyne N[C@@H](CCC1=CN2CCCC[C@@H]2[C@H]2CC[C@H](C(=O)O)N=C12)C(=O)O ZINC000238745035 ED Annotated Anodyne C/C=C1\C[C@H]2[C@H]3[C@@]4(CC[N+]3(C)C1)C(=O)c1ccccc1N4[C@H]2CO ZINC000238745177 ED Annotated Bother C=C1C(=O)[C@@]23[C@H](CC[C@@H]1[C@H]2O)[C@H]1O[C@](O)([C@H]2[C@@H]1CCCC2(C)C)[C@@H]3O ZINC000238745200 ED Annotated Mild CCOc1cc(OC)c(O)c2c1C(=O)[C@H]1CO[C@@](C)(O)C[C@H]1C2=O ZINC000238745251 ED Annotated Clean C[C@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)[C@H]1O ZINC000238745409 ED Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3[C@@](C)(O)C=C[C@@]3(OO)C(C)=C[C@H](OC(C)=O)[C@@H]12 ZINC000238745452 ED Annotated Reactive C=C1C[C@H]2OC(=O)[C@@H](COC)[C@H]2C[C@@H]2[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)O ZINC000238745646 ED Annotated Mild CC[C@H]1N[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3C[C@]1(O)[C@H]2CO3 ZINC000238745729 ED Annotated Anodyne CO[C@@H]1/C=C(\C)C[C@H](OC(C)=O)[C@]23O[C@@H](O)[C@@H]([C@H]1O)[C@H]2CC3(C)C ZINC000238745902 ED Annotated Anodyne C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23 ZINC000238745916 ED Annotated Mild C[N+]1=C(N)NC[C@H]1c1c(C(=O)O)[nH]c2ccc(Br)cc12 ZINC000238745958 ED Annotated Anodyne C=C[C@]1(C)[C@H](OC(=O)C(=C)C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H]1C(=C)C=O ZINC000238746000 ED Annotated Reactive C=C1C[C@]23CC[C@H]4[C@]56CC(=O)C[C@@]4(C)CN[C@@H]5[C@H]2[C@H](O)[C@H]1[C@@H](O)[C@H]36 ZINC000238746134 ED Annotated Mild CC(=O)Oc1c(O)cc(O)c2c1C(=O)c1cc(O)cc(O)c1C2=O ZINC000238746156 ED Annotated Clean COc1cc2c(c(O)c1OC)C[C@]21COc2cc(O)cc(O)c2C1=O ZINC000238746163 ED Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CC[C@@H](OC(C)=O)C[C@@H]1N(C2)[C@H](O)C3 ZINC000238746422 ED Annotated Anodyne N[C@@H](CCC1=CN2C=CCC[C@H]2[C@@H]2CC[C@@H](C(=O)O)N=C12)C(=O)O ZINC000238746510 ED Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN(C)[C@@](O)(C1)C(=O)C=C3C=C2 ZINC000238746589 ED Annotated Mild CC(=O)O[C@@]12/C=C(/C)[C@@H](O)CCC3=C[C@H](OC3=O)C1=C(C)C(=O)O2 ZINC000238746688 ED Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)CC(=O)[C@]23CCCN4CCC[C@]2(C4)C(=O)C[C@H]13 ZINC000238746926 ED Annotated Anodyne CC(=O)Oc1c(C)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000238746986 ED Annotated Clean C=C[C@]1(O)C(=C)CC[C@@H]2[C@@H](C[C@]3(O)[C@@]2(C)CC[C@H]2OC(=O)[C@]23C)C1=O ZINC000238747295 ED Annotated Mild C=C(CO)C(=O)O[C@H]1C[C@@]2(C)[C@@H](O)CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238747346 ED Annotated Mild CO[C@@H]1C=C2CCN(C)[C@H]3CC[C@]45C=CC(=O)C[C@]46[C@@H]([C@@H]1O)[C@]23[C@@H]65 ZINC000238747712 ED Annotated Mild C=C1OC(=O)C2=C1O[C@H]1[C@H](O)[C@@]3(O)CCCC[C@H]3[C@@](C)(C2=O)[C@H]1C ZINC000238747835 ED Annotated Mild C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2C1=CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238748061 ED Annotated Mild COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](O)[C@H]2O ZINC000238748078 ED Annotated Anodyne C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000238748268 ED Annotated Anodyne CCC[C@H]1O[C@H](CC(=O)O)C[C@]23O[C@]12C(=O)c1cc(O)ccc1C3=O ZINC000238748322 ED Annotated Clean C=C(CO)C(=O)O[C@H]1C[C@@H]2C(=C)C[C@H](O)[C@@H]3[C@@H](C)C(=O)O[C@@H]3[C@H]2C1=C ZINC000238748393 ED Annotated Mild CO[C@@H](c1ccc(O)c(O)c1)[C@H](O)CC#Cc1ccc(O)c(O)c1 ZINC000238748491 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)C[C@H]1C(C)(C)CC[C@@H]2O ZINC000238748538 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@H](C)[C@H]1C=O)COC3=O ZINC000238748718 ED Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2CC(=O)C(=C)[C@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238748911 ED Annotated Mild C=C(C)[C@@H]1C/C=C2\C(=O)O[C@@H](C[C@]3(C)CC(=O)[C@@H](CC(=O)C1)O3)[C@@H]2O ZINC000238748913 ED Annotated Mild CC(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@@H]3[C@@H]([N+](C)(C)CCO)O[C@H]2[C@@]31C ZINC000238749088 ED Annotated Bother COc1cc2c(cc1O)C(=O)O[C@@H]1[C@@H](OC)C=C3CCN(C)[C@H]3[C@H]21 ZINC000238749103 ED Annotated Anodyne C[C@@H]1C(=O)[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CCC[C@@]2(C)C(=O)O[C@H]([C@H]21)[C@@H]3O ZINC000238749191 ED Annotated Anodyne C[C@@H](O)CC(=O)O[C@H]1C=C[C@@]23CCNCc4ccc(O)c(c42)O[C@H]3C1 ZINC000238749308 ED Annotated Anodyne C=C(C)[C@H]1CC(=O)C=C2C(=O)[C@H]3[C@@H]4[C@H](C[C@@]3(C)O)OC(=O)[C@@H]4[C@@H]2C1 ZINC000238749465 ED Annotated Mild O=C1O[C@@H]2[C@H](C3=NCC[C@@H]4[CH][C@@H]5OCO[C@H]5[C@H]2[C@H]34)[C@@H]2[CH][CH][CH][CH][C@H]12 ZINC000238749475 ED Annotated Anodyne O[C@@H]1C=C[C@@H](O)[C@H]2[C@@H]1[C@H](O)CCC21Oc2cccc3cccc(c23)O1 ZINC000238749495 ED Annotated Anodyne CC1=CC(=O)C2=C(C)C[C@H](OS(=O)(=O)O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000238749681 ED Annotated Mild N[C@H](CCC1=CN2[C@@H](C(=O)O)CCC[C@@H]2[C@@H]2CCCN=C12)C(=O)O ZINC000238749753 ED Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H](C1)N2C ZINC000238749787 ED Annotated Anodyne COc1cc2c(cc1O)CCCN1C[C@H]3O[C@]34C=C[C@H](OC)C[C@]214 ZINC000238749836 ED Annotated Anodyne C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@@H](O)[C@](C)(CO)[C@H]1C[C@@H]3O ZINC000238749844 ED Annotated Mild CCC1=N[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@H]3O ZINC000238749972 ED Annotated Anodyne C=C1[C@@H]2C=C3[C@H](C(=O)O)[C@H]4[C@@]5(C)C(=O)O[C@@]4(CC[C@@H]5O)[C@]3(CC2)[C@@H]1O ZINC000238750419 ED Annotated Mild C/C=C(/C=O)CO[C@H]1CCN2C[C@@H]3C[C@@H](CN4C=CC(=O)C[C@H]34)[C@@H]2C1 ZINC000238750608 ED Annotated Reactive C[C@@H](O)C[C@H]1O[C@@H]1C[C@H](O)/C=C/c1cc2cc(O)cc(O)c2c(=O)o1 ZINC000238750717 ED Annotated Anodyne C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2C[C@@H](O)C(=C)[C@H]2[C@@H]2OC(=O)C(=C)[C@H]21 ZINC000238750879 ED Annotated Mild COC1=C(c2ccc(O)c(O)c2)C(=O)c2cc(O)cc(O)c2C1=O ZINC000238751068 ED Annotated Mild C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@H](C)[C@H]1C)[C@H]23 ZINC000238751284 ED Annotated Mild C=C1C(=O)OC2=C1[C@@H](OC(C)=O)C[C@@](C)(OC)[C@H]1CC[C@](C)(O)[C@H]21 ZINC000238751310 ED Annotated Clean CO[C@H]1OC(=O)[C@@]2(C)CC(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O ZINC000238751312 ED Annotated Anodyne CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@]3(C)[C@@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O ZINC000238751645 ED Annotated Anodyne C/C1=C/C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000238751893 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC=C(C)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000238752009 ED Annotated Mild COC(=O)/C(C)=C/C[C@]12CCN(C)[C@H]1N=C1C=C(OC)C(=O)C=C12 ZINC000238752028 ED Annotated Mild O=C1O[C@H](c2ccoc2)C[C@@H]2[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C=C[C@@]1(O)C(=O)O2 ZINC000238752240 ED Annotated Anodyne CCO[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1 ZINC000238752305 ED Annotated Anodyne C[C@@H](O)[C@]12CN(C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)Nc4ccccc41)[C@@H]32 ZINC000238752423 ED Annotated Anodyne CO[C@H]1[C@@H](c2cc3c(cc2CO)OCO3)[C@@H]2[C@H](CCN2C)C[C@H]1O ZINC000238752428 ED Annotated Anodyne C=C1C/C(=C/C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000238752697 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1C=C[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000238752825 ED Annotated Mild CC(=O)O[C@H](C)C[C@H](C[C@H]1C[C@H]2C[C@H](CC(=O)O2)O1)OC(C)=O ZINC000238752844 ED Annotated Anodyne CC(C)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@]213 ZINC000238752873 ED Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)[C@@H](O)[C@]12C ZINC000238753594 ED Annotated Mild CC1=C(C=O)[C@H]2C[C@H]3N[C@H](C[C@@]34C(=O)N(C)c3ccccc34)[C@H]2CO1 ZINC000238753595 ED Annotated Reactive O=C(O)c1c(C[C@@H]2NCCc3cc4c(cc32)OCO4)ccc(O)c1O ZINC000238753753 ED Annotated Clean COc1c2c(cc3c1[C@H]1[C@H]4C(=CC[C@H]1O[C@@H]3O)CCN4C)OCO2 ZINC000238754020 ED Annotated Anodyne COc1cc(O)c2c(c1O)C(=O)C1=C(CC[C@H](C[C@H](C)O)O1)C2=O ZINC000238754129 ED Annotated Mild CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@H]2C1=O ZINC000238754503 ED Annotated Mild C/C=C1/CN2CC[C@@H]1[C@@](CO)(C(=O)CO)c1[nH]c3ccccc3c1C2 ZINC000238754543 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2[C@H](O)CC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238754718 ED Annotated Mild C[C@@H]1C[C@@H]2[C@H]3/C=C4/C(=O)O[C@H](CC[C@H](O)C[C@H]3C=C[C@@H]2C1=O)C4=O ZINC000238755067 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238755296 ED Annotated Mild C=C(C)C(=O)O[C@H]1C[C@H](C)[C@@H]2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238755298 ED Annotated Mild COc1cc2c3c(c1OC)C1=CC[C@H](O)C[C@@H](O)[C@@H](O1)[C@@H]3NCC2 ZINC000238755383 ED Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CCC[C@@]2(C)C(=O)O[C@@H]([C@@H]3O)[C@@H]21 ZINC000238755463 ED Annotated Mild CC1=CC(=O)C2=C(C)C[C@H](OC(=O)C(C)C)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]12O ZINC000238755926 ED Annotated Mild CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@@H](O)CC[C@@]2(C)[C@H]13 ZINC000238756265 ED Annotated Anodyne C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(=O)[C@]3(C)CO3)C[C@@H]12 ZINC000238756643 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CC[C@@H](O)C(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238757004 ED Annotated Mild CC(C)C1=C2C3=CC=C(CO)[C@@H](O)[C@H](O)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1=O ZINC000238757168 ED Annotated Mild Cc1cc(=O)c2c(O)cc3c(c2o1)C(=O)[C@@H]1[C@H](CCN(C)[C@@H]1O)O3 ZINC000238757280 ED Annotated Anodyne C[C@H](O)[C@@]1(C)O[C@@H](O)[C@@]2(C)c3c([nH]cc(-c4ccccc4)c3=O)O[C@@H]21 ZINC000238757603 ED Annotated Anodyne C=C1[C@@H]2C[C@@H]3[C@]4(CC[C@H]5[C@@]36CC(=O)C[C@@]5(C)CN(C)[C@@H]6[C@H]4C2=O)[C@@H]1O ZINC000238757610 ED Annotated Mild C/C(=C\[C@H](C)C(=O)O)C(=O)c1c(O)c(C)cc2c1C(=O)C=C(N)C2=O ZINC000238757781 ED Annotated Mild CC[C@H](CO)[C@@H]1C[C@H]2[C@@H]3N(C)c4ccccc4[C@]34C[C@@H]([C@H]1[C@H]4O)N2C ZINC000238757792 ED Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](OC2=O)[C@@H](OC)C=C2CCN(C)[C@H]21 ZINC000238758254 ED Annotated Anodyne C[C@@H]1C[C@H]2CC(NC(=O)C(=O)O)=C3CCCN4CCC[C@@]2(O)[C@]34C1 ZINC000238758268 ED Annotated Anodyne C=C1[C@@H]2C=C3[C@H](C(=O)O)[C@H]4[C@@]5(C)C(=O)O[C@@]4(CC[C@H]5O)[C@]3(CC2)[C@@H]1O ZINC000238758517 ED Annotated Mild CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C=C[C@@](C)(OO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238758661 ED Annotated Reactive COc1cc(OC)c2c(c1)C(=O)[C@@H](OC(C)=O)C1=C(C)CO[C@]12OC ZINC000238758887 ED Annotated Anodyne CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@@H]2C(=O)c3cccc(O)c3C(=O)[C@H]12 ZINC000238759016 ED Annotated Clean CO[C@H](c1ccc(O)c(O)c1)[C@H](O)CC#Cc1ccc(O)c(O)c1 ZINC000238759018 ED Annotated Mild C/C=C1/[C@H]2C(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@@H]2O)[C@H]14 ZINC000238759071 ED Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O)CC(C)(C)[C@H]4[C@H](O)C[C@@]3([C@H]1O)[C@@H]2O ZINC000238759097 ED Annotated Mild C[C@H]1C=C[C@H]2[C@H](O)CCC[C@H]2[C@@H]1c1cc(NCCO)c(C=O)c(=O)o1 ZINC000238759147 ED Annotated Anodyne CO[C@@]12CN(C)[C@H]3C[C@H](O)C=C[C@]31c1cc3c(cc1CO2)OCO3 ZINC000238759186 ED Annotated Anodyne C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238759208 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)[C@@](C)(CO)[C@H]1C[C@H]3O ZINC000238759263 ED Annotated Mild CO[C@H]1CC[C@@]23c4cc5c(cc4CO[C@]2(O)CN(C)[C@@H]3C1)OCO5 ZINC000238759268 ED Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CC[C@H](O)C(C)(C)[C@H]1CO)COC3=O ZINC000238759365 ED Annotated Mild C=C[C@@]1(O)CN2CC[C@H]1C[C@@H]2[C@@H](O)c1cc(=O)[nH]c2ccccc12 ZINC000238759379 ED Annotated Mild CO[C@@H]1[C@@H](c2cc3c(cc2CO)OCO3)[C@H]2C(=C[C@H]1O)CCN2C ZINC000238759519 ED Annotated Anodyne C=C(CO)C(=O)OC/C1=C/CC/C(C)=C/[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2C1 ZINC000238759543 ED Annotated Mild C=C1[C@@H]2CC[C@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@H]1[C@]42OC(=O)[C@]1(C)CC[C@H]2O ZINC000238759572 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CCC(CO)=C2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]21C ZINC000238759720 ED Annotated Mild CC(=O)N1CCCCNC[C@H](c2ccccc2)CC(=O)NCCC1 ZINC000238759773 ED Annotated Anodyne C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C[C@@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@@H]2O ZINC000238759911 ED Annotated Mild C=C1C[C@H](OC(=O)/C(=C/CO)CO)[C@@H]2C(=C)CO[C@H]2[C@@H]2C(C)=CC[C@H]12 ZINC000238760056 ED Annotated Mild C=C1[C@@H](C)CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@@H]4C)[C@@H](O)C3=O)[C@H](O)[C@@H](O)[C@@H]12 ZINC000238760164 ED Annotated Mild CO[C@@H]1C(=O)CC[C@]2(O)CS[C@@H](CC=C(C)C)[C@](C)(O)[C@@]12O ZINC000238760688 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1C[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@H]2C1=C ZINC000238760960 ED Annotated Mild C=C1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@H](C)[C@H]1C)[C@@H]23 ZINC000238760999 ED Annotated Mild COC1=C[C@@]23CCCN2C[C@H](O)c2cc4c(cc2[C@@H]3[C@H]1O)OCO4 ZINC000238761060 ED Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238761318 ED Annotated Mild C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 ZINC000238761334 ED Annotated Mild CO[C@@]12C[C@]3(CCc4c5c3c(c(O)cc5cc[n+]4C)O1)CC[C@@H]2O ZINC000238761369 ED Annotated Anodyne C/C1=C\C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000238761404 ED Annotated Anodyne C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000238761479 ED Annotated Anodyne CCC(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@H](C)[C@@]12C ZINC000238761631 ED Annotated Anodyne COC(=O)c1cc(OC)c2c3c1OC(C)=CC(O)=C3[C@@H](O)OC2=O ZINC000238761637 ED Annotated Anodyne COC1=CC[C@]2(CC[C@@]34NCC[C@@]23CC(=O)C(OC)=C4OC)C1=O ZINC000238761834 ED Annotated Mild Cn1ccc2c(Br)c(=O)c3c(c-2c1)S(=O)(=O)C=CN3 ZINC000238761945 ED Annotated Anodyne C[C@@]1(C(=O)O)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000238762352 ED Annotated Anodyne C=C1CC[C@H]2[C@@H]([C@H]3[C@H]1C1=C(C[C@@](C)(O)C1=O)[C@@H](O)[C@]3(C)O)C2(C)C ZINC000238762678 ED Annotated Mild O[C@@H]1C[C@@H]2C=C3OCOC3=C[C@@H]2[C@@H]2NCc3c(ccc4c3OCO4)[C@@H]21 ZINC000238762708 ED Annotated Anodyne C=C[C@]12CN[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)N(OC)c4ccccc41)[C@@H]32 ZINC000238762901 ED Annotated Mild C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238762956 ED Annotated Mild COc1c(O)cc2c(c1O)C(=O)[C@@H]([C@H](O)c1ccc(O)cc1)[C@H](O)O2 ZINC000238763043 ED Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)(C=C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238763381 ED Annotated Mild C=C[C@]1(C)C=C2C(=O)[C@]3(O)OC(=O)[C@]4(CC[C@H]5C[C@@H]5[C@]43C)[C@]2(O)CC1 ZINC000238763703 ED Annotated Mild CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]4(CCN3[C@@H]1O)[C@H](O)C2 ZINC000238763924 ED Annotated Anodyne C=C(CO)C(=O)OC/C1=C/CC/C(C)=C\[C@H](O)[C@@H]2C(=C)C(=O)O[C@H]2C1 ZINC000238764047 ED Annotated Mild O[C@]12CCN3CCC[C@]45C[C@@H]6O[C@H](C4)N(c4ccccc41)[C@@]2(O6)[C@H]35 ZINC000238764137 ED Annotated Anodyne C=C1[C@H](O)[C@]23C[C@@H]1C[C@@H]1O[C@H]4O[C@@H]5CCC(C)(C)[C@H]([C@@H](O)C2=O)[C@]45[C@@H]13 ZINC000238764171 ED Annotated Mild C=C1C[C@H]2OC(=O)[C@H](COC)[C@H]2C[C@@H]2[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)O ZINC000238764500 ED Annotated Mild OC1=C(c2ccc(O)c(O)c2O)[C@H](O)c2cc3c(cc2O1)OCO3 ZINC000238764515 ED Annotated Clean COc1cc(C(=O)O[C@@H]2C[C@@H]3C[C@@H](O)[C@H](C2)N3)cc(OC)c1OC ZINC000238764560 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@@H]1C[C@H]3O[C@@H]2O ZINC000238764877 ED Annotated Mild CC[C@H]1C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000238764893 ED Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C=O)O[C@@H]2CC[C@@]2(C)O[C@H]2[C@@H](O)[C@H]1C(C)C ZINC000238764902 ED Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238764961 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)CCC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000238765030 ED Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](O)[C@H](OCC)O[C@@H](O)[C@@]3(C)C[C@H]12 ZINC000238765116 ED Annotated Mild C/C=C(\C)COC[C@H]1O[C@@H](OCC(C)C)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O ZINC000238765409 ED Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C)C[C@@H](C(=O)/C(=C/CO)CO)[C@@H]12 ZINC000238765437 ED Annotated Mild CC(=O)O[C@H]1c2occ(C)c2[C@@H]2OC(=O)[C@@]3(CC[C@H]4O[C@]41C)O[C@@H]23 ZINC000238765511 ED Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OCC(C)C)C[C@@]1(C)[C@H](O)C[C@H](O)C(=C)[C@H]21 ZINC000238765548 ED Annotated Mild COC(=O)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]41CCN3C/C2=C/CO ZINC000238765977 ED Annotated Anodyne CO[C@H]1C=CC2=CCN3[C@H](O)C(=O)c4cc5c(cc4[C@]23C1)OCO5 ZINC000238766212 ED Annotated Anodyne C=C1[C@H]2C[C@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN[C@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000238766325 ED Annotated Mild O=C(O)c1cc(O)c(O)cc1Oc1c(C(=O)O)cc(O)c(O)c1O ZINC000238766610 ED Annotated Clean C[C@H]1CC(=O)C2=C(C[C@H](O)[C@@]3(O)[C@@H]2C(=O)c2cccc(O)c2[C@H]3O)C1 ZINC000238766635 ED Annotated Mild CCO[C@H]1O[C@H]2C3=C(C[C@@]4(C)[C@@H](O)CC[C@H]1[C@@H]24)C(=O)C(OC)=CC3=O ZINC000238767374 ED Annotated Mild CC(=O)OC1=C2/C(=C/[C@](C)(O)CC=C=C(C)C[C@@H]2OC(C)=O)OC1=O ZINC000238767472 ED Annotated Anodyne C[C@H]1C[C@@H]([C@H]2CC[C@@H]3N2CCCC[C@]32OC(=O)[C@H](C)[C@H]2O)OC1=O ZINC000238767533 ED Annotated Anodyne C=C1[C@@H]2[C@H](O)[C@@H](O)C3=C(C(=O)[C@H](O)[C@@]4(C[C@H]4C)C3=O)[C@@]2(C)CC[C@H]1C ZINC000238767664 ED Annotated Mild COc1c2c(cc3c1[C@@H]1[C@H](OC3=O)[C@@H](O)C=C3CCN(C)[C@H]31)OCO2 ZINC000238767673 ED Annotated Anodyne CC(=O)O[C@@H]1CC[C@]23C[C@@H](O)N(Cc4cc5c(cc42)OCO5)[C@H]3C1 ZINC000238767742 ED Annotated Anodyne COc1cc(O)c2c(c1O)[C@H]1O[C@H](O)[C@@H]3CC[C@H](O)[C@@]1(C)[C@@H]3C2=O ZINC000238767768 ED Annotated Anodyne O=C1C=C[C@@H]2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C[C@H]3CCO ZINC000238767786 ED Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@]2(C)C1=O ZINC000238767846 ED Annotated Anodyne CCCCCCCC1=CC2=CC(=O)O[C@@H]2[C@@](C)(O)[C@@]1(O)C(=O)OC ZINC000238767882 ED Annotated Mild CN/C(=C\c1ccc(OC)cc1)[C@]1(NC)C[C@@]2(O)C=CC(=O)C[C@@H]12 ZINC000238767959 ED Annotated Mild CO[C@H]1C=CC2=CC(=O)N3C[C@H](O)c4cc5c(cc4[C@]23C1)OCO5 ZINC000238768266 ED Annotated Anodyne C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238768270 ED Annotated Mild COC1=CC[C@]23CCN(C)[C@@]24C[C@H](O[C@]14O)c1ccc(OC)c(O)c13 ZINC000238768650 ED Annotated Anodyne COc1cc2c(cc1O)[C@H](O)CN1CCC3=C[C@H](O)[C@H](OC)C[C@]321 ZINC000238768714 ED Annotated Anodyne COc1cc2c(cc1O)C[C@H]1[C@@H]3C[C@@H](O)[C@@H](OC)C[C@@]23CCN1C ZINC000238769017 ED Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@H](C=O)[C@@]2(O)[C@@H]1C(C)(C)C[C@]2(C)C(=O)O ZINC000238769084 ED Annotated Mild CO[C@@H]1OC(=O)[C@@]2(C)CC(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O ZINC000238769104 ED Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CCl)[C@H]2C(=C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000238769172 ED Annotated Reactive C[C@H]1C[C@H]([C@@H]2CC[C@]34O[C@H](CC[C@]35C[C@@H](C)C(=O)O5)CN24)OC1=O ZINC000238769237 ED Annotated Anodyne C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)C[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238769392 ED Annotated Mild COC(=O)/C=C1\[C@@]2(C(=O)OC)C[C@H]2CN2CCC3=CC[C@H](OC)C[C@@]312 ZINC000238769421 ED Annotated Anodyne C=C[C@@]1(O)CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(=O)[nH]c2ccccc12 ZINC000238769576 ED Annotated Mild COc1cc(/C=C2\C(=O)NC(=O)[C@]2(O)c2ccc(O)cc2)ccc1O ZINC000238769839 ED Annotated Anodyne C=C1[C@@H]2CC[C@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)OC)[C@H]1[C@]42OC(=O)[C@]1(C)CC[C@H]2O ZINC000238770053 ED Annotated Mild C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCc2ccn3c2[C@@H](CC3=O)OC1=O ZINC000238770115 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@@H](C1)N2C ZINC000238770508 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1C=C(C)[C@H]2CC(=O)[C@H](C)[C@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 ZINC000238770571 ED Annotated Mild CC1=C(C)[C@@H]2[C@H](O)[C@@H](O)C3=C(C(=O)[C@H](O)[C@]4(C[C@@H]4C)C3=O)[C@@]2(C)CC1 ZINC000238770748 ED Annotated Mild COC(=O)C[C@]1(O)c2nc(C)cc3cc(O)cc(c23)O[C@@]1(C)OC ZINC000238770759 ED Annotated Anodyne CCOc1cc(OC)c(O)c2c1C(=O)[C@@H]1CO[C@](C)(O)C[C@H]1C2=O ZINC000238770940 ED Annotated Clean C=C1C[C@H](OC(=O)[C@]2(C)CO2)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000238771371 ED Annotated Mild C/C1=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@@H]23 ZINC000238771627 ED Annotated Anodyne C[C@]12C(=O)O[C@@H]3C[C@H]4C5=C(CC[C@H]4[C@@]4(CC[C@]1(O)OC4)[C@@H]32)C(=O)CO5 ZINC000238771689 ED Annotated Mild C=C(C)[C@@H]1CC(=O)[C@H]2[C@H](C1)[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)O[C@H]2C(=O)[C@H]4[C@H]13 ZINC000238771726 ED Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@@H]4C(=O)OC ZINC000238771787 ED Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H]2O ZINC000238771793 ED Annotated Clean C[C@H]1C[C@@H]([C@@H]2CC[C@H]3N2CCCC[C@]32OC(=O)[C@H](C)[C@H]2O)OC1=O ZINC000238771893 ED Annotated Anodyne CO[C@@H]1O[C@]2(OC)C[C@]34O[C@H]3CC[C@@H](C)[C@]4(C)C[C@]2(O)[C@@]1(C)O ZINC000238772521 ED Annotated Anodyne C=C1C(=O)O[C@@H]2C3=C(CO)CC[C@H](OC(=O)[C@]4(C)CO4)[C@]3(C)CC[C@@H]12 ZINC000238772711 ED Annotated Mild C=C(C=O)[C@@H]1C=C2C(=O)[C@H](O)[C@H]3C(C)(C)CC[C@@H](O)[C@]3(C=O)[C@H]2CC1 ZINC000238772736 ED Annotated Reactive C=C1C(=O)[C@@]23[C@@H](CC(=O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000238772941 ED Annotated Mild COc1ccc([C@@H](COCCO)[C@@H](O)c2ccc(O)cc2)cc1O ZINC000238773124 ED Annotated Anodyne COC1=C(O)C=C2C(=O)Oc3c(OC)c(O)cc4c3[C@H]2[C@@H]1OC4=O ZINC000238773127 ED Annotated Anodyne C=C(C)[C@@H]1CC(=O)C[C@H]2C(=O)C3=C(C)C[C@@H]4OC(=O)[C@]3([C@H]4O)[C@@H]2C1 ZINC000238773190 ED Annotated Mild COc1cc2c(cc1O)C[C@H]1[C@@H]3C[C@@H](O)[C@H](OC)C[C@@]23CCN1C ZINC000238773463 ED Annotated Anodyne COc1cc2c(c(O)c1C)C(=O)[C@@]1(O)c3ccccc3OC[C@@H]1O2 ZINC000238773795 ED Annotated Anodyne COc1ccc2c(c1)N[C@H]1[C@@H]3[C@H](O)OC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238773907 ED Annotated Anodyne C[C@@]1(CO)[C@H]2C[C@H](O)[C@@]34C=C[C@@](C)(CC[C@H]3[C@]2(C)CC[C@H]1O)[C@@H]4O ZINC000238774172 ED Annotated Anodyne O=c1ccoc2cc(O)c3c(c12)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C3 ZINC000238774609 ED Annotated Clean C[C@]1(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@]4(C)C=C[C@@]3([C@@H](O)C[C@@H]12)[C@H]4O ZINC000238774631 ED Annotated Anodyne Oc1ccc([C@H](O)[C@H]2OC[C@@H](O)[C@@H]2c2ccc(O)c(O)c2)cc1O ZINC000238775104 ED Annotated Clean O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](CO)/C1=C\c1ccc(O)c(O)c1 ZINC000238775348 ED Annotated Clean C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@]1(O)[C@H]4C(=O)OC ZINC000238776504 ED Annotated Anodyne C[C@@]12c3ccc4c(c3C(=O)c3occ(c31)C(=O)[C@@H](O)[C@H]2O)CCC4=O ZINC000238776589 ED Annotated Anodyne C=C(C)[C@H]1CC(=O)C[C@@H]2C(=O)[C@H]3[C@H]4C(=C[C@H]12)C(=O)O[C@H]4C[C@@]3(C)O ZINC000238776791 ED Annotated Mild C=C(C)[C@]1(O)O[C@@H]2C[C@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@]1(C)[C@H]32 ZINC000238776802 ED Annotated Mild C[C@@]12C[C@@H](O)CC(CO)(CO)[C@H]1[C@H](O)C[C@@]13C[C@H]4[C@@H](C[C@H]12)[C@@]4(C)C3 ZINC000238776907 ED Annotated Anodyne C[C@@H](O)[C@@]12CN(C)[C@H]3[C@@H]4CO[C@@H](C[C@@H]41)[C@@]1(C(=O)Nc4ccccc41)[C@H]32 ZINC000238776944 ED Annotated Anodyne C[C@H]1C[C@H]([C@@H]2CC[C@]34O[C@H](CC[C@@]35C[C@H](C)C(=O)O5)CN24)OC1=O ZINC000238777606 ED Annotated Anodyne CC(C)[C@H]1OC(=O)C=C2C1=C[C@@H]1OC(=O)[C@]3(C)[C@@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O ZINC000238777689 ED Annotated Anodyne C/C1=C/[C@@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)C(C)C ZINC000238777933 ED Annotated Mild C[C@H](O)C[C@H]1C[C@@H]2N3COC[C@H]1[C@@H]3C[C@]21C(=O)N(C)c2ccccc21 ZINC000238778332 ED Annotated Anodyne CC(=O)Oc1c(C)cc2c(c1O)C(=O)c1c(O)cc(O)c(O)c1C2=O ZINC000238778446 ED Annotated Clean C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H](OC1=O)[C@H]23 ZINC000238778478 ED Annotated Anodyne COc1ccc2c(c1O)[C@]13CCC(=O)[C@@]4(O)O[C@H]2C[C@@]41N(C)CC3 ZINC000238778607 ED Annotated Anodyne C[C@@]12c3ccc4c(c3C(=O)c3occ(c31)[C@@H](O)[C@@H](O)[C@H]2O)CCC4=O ZINC000238778685 ED Annotated Anodyne O=C(O)CC1(O)C=C(Br)C(=O)C(Br)=C1 ZINC000238778714 ED Annotated Mild COC(=O)CC1(O)C=C(Br)C(=O)C(Br)=C1 ZINC000238778729 ED Annotated Mild CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@H]4O[C@H]4C[C@@]2(C)[C@@H]13 ZINC000238778872 ED Annotated Anodyne COC(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O ZINC000238778945 ED Annotated Clean C/C=C(/C)C(=O)O[C@@H]1[C@@H]2C[C@@H](OC(=O)/C(C)=C/C)C[C@H]([C@H]1O)N2C ZINC000238778956 ED Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H](C)[C@]34OO[C@](C)(C[C@@H]3OC(C)=O)O[C@H]4C[C@H]12 ZINC000238778960 ED Annotated Reactive Oc1cc2c(cc1O)[C@H](O)[C@@H]1OC[C@@H](O)[C@H]1c1cc(O)c(O)cc1-2 ZINC000238779186 ED Annotated Clean COc1c2c(cc3c1OCO3)[C@]13CCN(C2)[C@H]1C[C@H](OC)[C@@H]1O[C@@H]13 ZINC000238779326 ED Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OCC(C)C)[C@H](O)C(=C)[C@@H]1C[C@H](O)C(=C)[C@@H]12 ZINC000238779351 ED Annotated Mild C=C1C[C@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(CC[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238779559 ED Annotated Mild C/C=C1\[C@H]2C(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@@H]2O)[C@H]14 ZINC000238779567 ED Annotated Anodyne O[C@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1O ZINC000238779581 ED Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](C(=O)/C(=C/CO)CO)CC(=C)[C@@H]1CC=C(C)[C@@H]12 ZINC000238779782 ED Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H](CCO)[C@@H]1C[C@H]23 ZINC000238779920 ED Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H]2[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@@H](C1)N2C ZINC000238779999 ED Annotated Anodyne C=C[C@@]1(C)C[C@@H](OC(=O)C(=C)CO)[C@@]2(O)C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C ZINC000238780107 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]12 ZINC000238780261 ED Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](CC[C@@H]4[C@](C)(CO)C[C@@H](O)C[C@@]34C)([C@H]1O)[C@@H]2O ZINC000238780279 ED Annotated Mild COc1ccc2c(c1OC)[C@]13CCC(=O)C(=O)[C@@]1(C[C@@H]2O)N(C)CC3 ZINC000238780354 ED Annotated Clean CC[C@H](C)[C@@]1(O)O[C@H]2C[C@H]3OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238780379 ED Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@H]([C@H](C)O)[C@@H]23 ZINC000238780466 ED Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12CC[C@@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000238780628 ED Annotated Mild CO[C@@H]1C[C@]23c4cc5c(cc4CCN2CC[C@@H]3C[C@H]1O)OCCO5 ZINC000238780901 ED Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238780980 ED Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238781134 ED Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(C=C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238781498 ED Annotated Mild COC1=CC(=O)C(Cc2cc(OC)c(O)c(OC)c2O)=C(C)C1=O ZINC000238781532 ED Annotated Mild CNC(=O)/C=C/C1=CN2C(=O)c3ccc(C)c(OC)c3N[C@H](O)[C@@H]2C1 ZINC000238781884 ED Annotated Anodyne COC(=O)[C@]12C(=O)C=C3C=Cc4ccc(OC)c(O)c4[C@@]31CCN2C ZINC000238782209 ED Annotated Mild C/C=C\C=C/C(=O)O[C@H]1CC/C=C\[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000238782326 ED Annotated Anodyne C/C=C\C=C/C(=O)O[C@H]1CC/C=C/[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000238782335 ED Annotated Anodyne C/C=C\C=C\C(=O)O[C@H]1CC/C=C\[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000238782339 ED Annotated Anodyne C/C=C\C=C\C(=O)O[C@H]1CC/C=C/[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000238782344 ED Annotated Anodyne O=C1C=CC[C@H](C[C@@H](O)C[C@@H](O)C[C@@H](O)/C=C/c2ccccc2)O1 ZINC000238782470 ED Annotated Anodyne CC(=O)O[C@H]1CN(C)[C@@]23C=CC=C[C@@]12c1cc2c(cc1CO3)OCO2 ZINC000238782536 ED Annotated Anodyne C=C(O)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238783018 ED Annotated Mild O=C(N[C@H](C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl ZINC000238783373 ED Annotated Reactive CCc1c(OC)cc2c(c1O)C(=O)C1=C(C[C@](C)(O)[C@H](O)C1)C2=O ZINC000238783375 ED Annotated Mild C[C@@]12CC[C@@H](O)[C@](C)(CO)[C@H]1C[C@H](O)[C@]13C=C(CO)[C@H](CC[C@@H]21)C3 ZINC000238783782 ED Annotated Anodyne CC1(C)[C@H]2C(=COc3ccccc32)[C@]2(O)C(=O)C[C@@]3(O)C[C@H]1[C@H]2[C@H]3O ZINC000238783802 ED Annotated Anodyne COC(=O)C[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1O ZINC000238783890 ED Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@H](CC1=O)C(C)(C)[C@H]2[C@H](O)C3=O ZINC000238784121 ED Annotated Anodyne COC1=CC(=O)C[C@H](C)[C@@]12Oc1c(O)c(OC)cc(OC)c1C2=O ZINC000238784221 ED Annotated Mild COc1c(O)cc(O)c(C(=O)[C@H](CO)[C@H](O)c2ccccc2)c1O ZINC000238784477 ED Annotated Anodyne CC/C=C1\NC(=O)[C@H](CCC(N)=O)n2c1nc1ccccc1c2=O ZINC000238784529 ED Annotated Anodyne CC/C=C1/NC(=O)[C@H](CCC(N)=O)n2c1nc1ccccc1c2=O ZINC000238784533 ED Annotated Anodyne COC(=O)c1ccc2c(=O)c3c(OC)cc(CCO)cc3oc2c1O ZINC000238784621 ED Annotated Bother CC[C@H](C)COC[C@H]1O[C@@H](OCC(C)C)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O ZINC000238784804 ED Annotated Anodyne CC(=O)O[C@@H]1[C@@]2(O)[C@H](C)C(=O)O[C@@]2(O)C[C@H]2CCC[C@H](C)[C@@]12C ZINC000238784883 ED Annotated Anodyne COc1ccc(CCc2cc(=O)c3c(o2)[C@H](O)[C@@H](O)[C@H]2O[C@@H]32)cc1 ZINC000238784939 ED 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]1C[C@H]3O[C@H]2O ZINC000238785032 ED Annotated Mild CC(C)(O)[C@H](O)CC(=O)Oc1coc2cc3oc(=O)ccc3cc12 ZINC000238785432 ED Annotated Anodyne COC(=O)[C@H](O)COc1ccc(C2=C(CC(C)C)C(=O)NC2=O)cc1 ZINC000238785485 ED Annotated Anodyne C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000238785589 ED Annotated Anodyne C=C1[C@@H]2C[C@H]3OC[C@@]45CCCC(C)(C)[C@H]4[C@H](O)C(=O)[C@@]([C@@H]35)([C@@H]1O)[C@@H]2O ZINC000238786149 ED Annotated Mild CCCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O[C@H]1O)C(=O)C=C[C@@H]1O[C@@H]12 ZINC000238786333 ED Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@H](CCO)[C@@H]23 ZINC000238786465 ED Annotated Anodyne CO[C@@]12C[C@@]34CCC[N+]3([O-])C[C@@H](O1)c1cc3c(cc1[C@H]4[C@H]2O)OCO3 ZINC000238786757 ED Annotated Bother CCOC(=O)[C@]1(OCC)CCNC(=O)c2[nH]c(Br)cc21 ZINC000238787165 ED Annotated Anodyne C=C(C(=O)OC)[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H](O)CC=C(C)[C@@H]2[C@H]1O ZINC000238787314 ED Annotated Mild COc1c2c(cc3c1[C@H](O)N1CC[C@]34C=C[C@H](OC)C[C@@H]14)OCO2 ZINC000238787852 ED Annotated Anodyne O=C1N[C@H]2Cc3nc4ccccc4c(=O)n3CC2=Nc2ccccc21 ZINC000238787967 ED Annotated Anodyne COC(=O)[C@]1(O)OC(=O)C(c2ccc(O)cc2)=C1c1ccc(O)cc1 ZINC000238788067 ED Annotated Anodyne COc1cc([C@H](O)[C@H](CO)Oc2ccc(CCCO)cc2)ccc1O ZINC000238788287 ED Annotated Anodyne COC(=O)c1ccc2c(=O)c3c(O)cc(CCO)cc3oc2c1O ZINC000238788709 ED Annotated Bother C=C(C(=O)OC)[C@]12O[C@H]1C[C@]1(C)[C@H](C(C)=CC[C@H]1O)[C@H]2OC(C)=O ZINC000238788734 ED Annotated Mild Oc1ccc2cc1-c1cc(ccc1O)C[C@H](O)[C@H](O)C[C@@H](O)CC2 ZINC000238788822 ED Annotated Anodyne C[C@@]1(C=O)[C@H]2CC=C3C[C@H](C(O)(CO)CO)CC[C@H]3[C@@H]2CC[C@H]1O ZINC000238788844 ED Annotated Mild CC1(C)[C@H]2CC[C@@]34OC(=O)[C@@](C)(CC[C@H]3[C@]2(C)C[C@H](O)[C@@H]1O)[C@H]4O ZINC000238789027 ED Annotated Anodyne Cc1c(O)c(O)c(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)CC2=O ZINC000238789199 ED Annotated Clean COC(=O)[C@]1(O)NC(=O)C(c2ccc(O)cc2)=C1c1ccc(O)cc1 ZINC000238789562 ED Annotated Anodyne COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2)ccc1O ZINC000238789682 ED Annotated Anodyne C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)C=CC2=O ZINC000238789701 ED Annotated Mild C1CCC(Nc2nc3nonc3nc2N2CCN3CCC[C@H]3C2)C1 ZINC000244594213 ED Annotated Anodyne C=C1CS[C@H]([C@@H](C=O)NC(=O)Cc2cccs2)N=C1C(=O)O ZINC000024635612 ED Annotated Mild CCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12 ZINC000245230371 ED Annotated Anodyne CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000249816045 ED Annotated Anodyne CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000249816050 ED Annotated Anodyne CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(C[C@H]3CCCO3)C[C@@]23C=C[C@H]1O3 ZINC000249887679 ED Annotated Anodyne CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000249887681 ED Annotated Anodyne CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000249887683 ED Annotated Anodyne CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 ZINC000249905855 ED Annotated Anodyne CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccco4)C(=O)[C@H]13)O2 ZINC000249905859 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1ccccc1 ZINC000002502673 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1O ZINC000002502676 ED Annotated Anodyne O=C(O)CCCCC(=O)CC[C@@H]1[C@@H](O)CC(=O)[C@H]1CCC(=O)O ZINC000002559496 ED Annotated Anodyne Cc1cc(OCC(=O)NNC(=O)c2cnccn2)cc(C)c1Cl ZINC000002576166 ED Annotated Reactive CCCN1C(=O)/C(=N\OCC(=O)NCC(F)(F)F)c2ccccc21 ZINC000002646720 ED Annotated Mild C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(N)=O ZINC000002661695 ED Annotated Anodyne C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(N)=O ZINC000002661696 ED Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccccc2O)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000002701375 ED Annotated Clean Cc1cc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)no1 ZINC000002713779 ED Annotated Anodyne Cc1ccc(S(=O)(=O)NCCSc2nnc(N)s2)cc1 ZINC000002842248 ED Annotated Anodyne aggregator C=c1[nH][nH]c(=O)/c1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000002860309 ED Annotated Anodyne COc1ccccc1/N=C(\O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000002922872 ED Annotated Mild CN(C(=O)Cn1c(=O)c2ccccc2n(C)c1=O)C1CCCCC1 ZINC000002922886 ED Annotated Anodyne CCn1c(=O)n(CC(=O)N2CCC(C)CC2)c(=O)c2ccccc21 ZINC000002923210 ED Annotated Anodyne CCn1c(=O)n(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)c2ccccc21 ZINC000002923240 ED Annotated Anodyne CCn1c(=O)n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2ccccc21 ZINC000002923241 ED Annotated Anodyne CCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)O)ccc21 ZINC000002928395 ED Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000002940321 ED Annotated Anodyne CN(C)CCNC(=O)CCS(=O)(=O)Cc1ccccc1Cl ZINC000002941312 ED Annotated Anodyne Cc1ncc(CO)c2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)oc12 ZINC000002955161 ED Annotated Anodyne aggregator CCOCCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1 ZINC000002965099 ED Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250376195 ED Annotated Anodyne CCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250376198 ED Annotated Anodyne CC(C)COC(=O)[C@H]1[C@@H]2C(=O)N(C[C@H]3CCCO3)C[C@@]23C=C[C@H]1O3 ZINC000250581378 ED Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000250581381 ED Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C[C@H]4CCCO4)C(=O)[C@H]13)O2 ZINC000250581384 ED Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000251604969 ED Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 ZINC000251604975 ED Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000251676066 ED Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000251676073 ED Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000251676080 ED Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000251676086 ED Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)NC1CC1)O2 ZINC000253484529 ED Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@H]1C(=O)NC1CC1)O2 ZINC000253484530 ED Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@@H]1C(=O)NC1CC1)O2 ZINC000253484531 ED Annotated Anodyne Cc1nc2ccnn2c(O)c1CC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000253532205 ED Annotated Anodyne Cc1nc2n(c(=O)c1C(N)=O)[C@@H](C)CCC2=NNc1ccccc1 ZINC000253634595 ED Annotated Mild Cc1nc2n(c(=O)c1C(N)=O)[C@H](C)CCC2=NNc1ccccc1 ZINC000253634596 ED Annotated Mild C[C@H]1CCC(=NNc2ccccc2)c2ncc(C(=O)NO)c(=O)n21 ZINC000253634641 ED Annotated Mild C[C@@H]1CCC(=NNc2ccccc2)c2ncc(C(=O)NO)c(=O)n21 ZINC000253634643 ED Annotated Mild CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](N)[C@H]3C)c(F)c21 ZINC000253636578 ED Annotated Anodyne C[C@@H]1NC(=O)OC12CCN(C[C@H](O)[C@H]1COc3ccccc3O1)CC2 ZINC000253636620 ED Annotated Anodyne C[C@@H]1NC(=O)OC12CCN(C[C@@H](O)[C@H]1COc3ccccc3O1)CC2 ZINC000253636621 ED Annotated Anodyne CN1C(=O)[C@@H]2N[C@H](/C=C/c3cccc(Cl)c3)N(C)[C@@H]2N(C)C1=O ZINC000253638302 ED Annotated Anodyne CN1C(=O)[C@@H]2N[C@@H](/C=C/c3cccc(Cl)c3)N(C)[C@@H]2N(C)C1=O ZINC000253638303 ED Annotated Anodyne N=C(N)NCCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@](O)(CC(=O)O)CC2)CC1 ZINC000253638794 ED Annotated Anodyne O=[N+]([O-])c1ccccc1C=c1nc(O)c(=Cc2ccccc2)nc1O ZINC000253639079 ED Annotated Bother C[C@@H]1CC[C@@H](NC(=O)c2cnc(N3CCC(CO)CC3)cn2)CC1 ZINC000253666662 ED Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C[C@@H]2C=C1[C@](O)(c1ccccc1)c1ccccn1 ZINC000253674284 ED Annotated Anodyne CC(C)N(C)c1nc2c(N[C@@H]3C[C@H]4C[C@H]3C[C@@H]4O)ncnc2n1C ZINC000253683281 ED Annotated Anodyne CC(C)N(C)c1nc2c(N[C@H]3C[C@H]4C[C@H]3C[C@H]4O)ncnc2n1C ZINC000253683287 ED Annotated Anodyne CC(C)N(C)c1nc2c(N[C@H]3C[C@H]4C[C@H]3C[C@@H]4O)ncnc2n1C ZINC000253683292 ED Annotated Anodyne CC(C)N(C)c1nc2c(N[C@@H]3C[C@H]4C[C@H]3C[C@H]4O)ncnc2n1C ZINC000253683297 ED Annotated Anodyne CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@H]2[C@H]1O ZINC000253691748 ED Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1O ZINC000253691750 ED Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H]1O ZINC000253691753 ED Annotated Reactive ClC[C@@H]1[C@@H]2CO[C@@H]3[C@H]2O[C@H]1[C@H]3n1cnc2c(Cl)ncnc21 ZINC000253806835 ED Annotated Reactive ClC[C@@H]1[C@@H]2CO[C@H]3[C@H]2O[C@H]1[C@@H]3n1cnc2c(Cl)ncnc21 ZINC000253806839 ED Annotated Reactive ClC[C@@H]1[C@@H]2CO[C@H]3[C@H]2O[C@H]1[C@H]3n1cnc2c(Cl)ncnc21 ZINC000253806844 ED Annotated Reactive ClC[C@@H]1[C@@H]2CO[C@@H]3[C@H]2O[C@H]1[C@@H]3n1cnc2c(Cl)ncnc21 ZINC000253806846 ED Annotated Reactive COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3NC(=O)N=C(N)[C@H]32)cc1 ZINC000253917679 ED Annotated Anodyne C[C@]12C[C@]34C[C@H]1[C@H]2C[C@@H]3[C@@]1(C)C[C@H](O)CC(CO)(CO)[C@@H]1[C@H](O)C4 ZINC000253953126 ED Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@H](c2ccco2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000253961083 ED Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@H](c2ccco2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000253961087 ED Annotated Anodyne COCCn1nnnc1[C@@H](c1cccs1)N1CCN2CCC[C@H]2C1 ZINC000253986304 ED Annotated Anodyne COCCn1nnnc1[C@H](c1cccs1)N1CCN2CCC[C@H]2C1 ZINC000253986307 ED Annotated Anodyne C[C@H](C(=O)Nc1nnc(C2CC2)s1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000253986989 ED Annotated Anodyne Cc1c(C#N)c(O)nc(O)c1N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000254003335 ED Annotated Mild COC(=O)C(C(=O)OC)[C@@H]1O[C@]23COCC[C@]2(C)[C@@H]3c2ccccc21 ZINC000254013535 ED Annotated Anodyne CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1nccs1 ZINC000254014617 ED Annotated Mild CC1(C)OC(=O)C=C(C[C@@H]2NS(=O)(=O)O[C@@H]3CCCC[C@H]23)O1 ZINC000254015032 ED Annotated Anodyne O=[N+]([O-])c1ccc2[nH]c(O)c(N=N[C@@H]3CS(=O)(=O)C[C@H]3O)c2c1 ZINC000254035993 ED Annotated Clean O=[N+]([O-])c1ccc2[nH]c(O)c(N=N[C@H]3CS(=O)(=O)C[C@@H]3O)c2c1 ZINC000254035996 ED Annotated Clean O=[N+]([O-])c1ccc2[nH]c(O)c(N=N[C@H]3CS(=O)(=O)C[C@H]3O)c2c1 ZINC000254035997 ED Annotated Clean O=[N+]([O-])c1ccc2[nH]c(O)c(N=N[C@@H]3CS(=O)(=O)C[C@@H]3O)c2c1 ZINC000254035999 ED Annotated Clean CN(C)N=Nc1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)O)cc1 ZINC000254044143 ED Annotated Clean O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1 ZINC000254045296 ED Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1C[C@H](O)COCc1ccccc1 ZINC000254045301 ED Annotated Anodyne O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@@H]25)C/C3=C/CO ZINC000254046311 ED Annotated Anodyne CC[C@@H](CO)[C@@H]1C[C@H]2N[C@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@H](O)[C@@H]31 ZINC000254047220 ED Annotated Anodyne CC[C@@H](CO)[C@@H]1C[C@H]2N[C@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@@H](O)[C@@H]31 ZINC000254047224 ED Annotated Anodyne CC[C@@H](CO)[C@@H]1C[C@H]2N[C@H]3C[C@@]4(c5ccccc5N(C)[C@@H]24)[C@@H](O)[C@H]31 ZINC000254047227 ED Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](O)O[C@@H]2CN(C)[C@@H]3C1)OCO5 ZINC000254076732 ED Annotated Anodyne N#CC1(C#N)[C@H](c2ccccc2)N[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=O)N3 ZINC000254079930 ED Annotated Mild N#CC1(C#N)[C@@H](c2ccccc2)N[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=O)N3 ZINC000254079931 ED Annotated Mild C[C@@]12CC[C@@]3(CCC(=O)N4CCOCC4)[C@](C)(OO[C@@]3(C)O1)O2 ZINC000254092537 ED Annotated Reactive Cc1cc(C)c(C=NNc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c(C)c1 ZINC000254096172 ED Annotated Mild CC(C)(C)NC[C@H](O)c1ccc2c(c1)CO[B@-](O)(c1ccccc1)O2 ZINC000254124696 ED Annotated Mild CC(C)(C)NC[C@H](O)c1ccc2c(c1)CO[B@@-](O)(c1ccccc1)O2 ZINC000254124699 ED Annotated Mild CC[C@@H](C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2)nc1O ZINC000254142649 ED Annotated Anodyne CC[C@H](C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2)nc1O ZINC000254142650 ED Annotated Anodyne CC(=O)OC1=C[C@@]2(OC(C)=O)CC(C)(C)[C@H]1[C@H]1C(=O)C=CC(=O)[C@H]12 ZINC000254143333 ED Annotated Mild CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000254169466 ED Annotated Anodyne COc1cccc(N=c2oc3c(C)ncc(CO)c3cc2C(N)=O)c1 ZINC000254289198 ED Annotated Anodyne Cn1ncc(N=Cc2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCOCC1 ZINC000254302499 ED Annotated Mild Cc1cccc(N2CN=c3sc(=Cc4ccncc4)c(=O)n3C2)c1 ZINC000254303091 ED Annotated Anodyne aggregator COC(=O)c1ccc(N=c2sc(C(=O)OC)cc(=O)n2C)cc1 ZINC000254306679 ED Annotated Anodyne CCN=c1sc(C(=O)NCCc2ccccc2)cc(=O)n1CC ZINC000254309755 ED Annotated Anodyne CC1=C(C#N)C(=O)N(CCO)C(=O)C1=Nc1ccc(N(C)C)cc1 ZINC000254385785 ED Annotated Reactive O=C(O)c1ccc(C=c2sc(=CC(=O)c3ccco3)[nH]c2=O)cc1 ZINC000254402752 ED Annotated Anodyne COC(=O)Cn1c(=NC(=O)CSC(C)=O)sc2ccccc21 ZINC000254405228 ED Annotated Anodyne CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl ZINC000254487462 ED Annotated Mild CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl ZINC000254487463 ED Annotated Mild CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl ZINC000254487464 ED Annotated Mild CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl ZINC000254487465 ED Annotated Mild C#CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cccc(C)c21 ZINC000254488344 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000254492291 ED Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000254492292 ED Annotated Mild in-man O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C1CC1 ZINC000254513413 ED Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C1CC1 ZINC000254513416 ED Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C1CC1 ZINC000254513419 ED Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C1CC1 ZINC000254513422 ED Annotated Mild CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(C)cc1 ZINC000254722416 ED Annotated Mild CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(C)cc1 ZINC000254722419 ED Annotated Mild CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(C)cc1 ZINC000254722422 ED Annotated Mild CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(C)cc1 ZINC000254722425 ED Annotated Mild Cn1ccsc1=NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000254741269 ED Annotated Anodyne Cc1ccc(C)c2c1sc(=NC(=O)CN1C(=O)CCC1=O)n2C ZINC000254749748 ED Annotated Anodyne C=CCn1c(O)nc2nc3cc(N=CN(C)C)c(C)cc3nc2c1=O ZINC000254766810 ED Annotated Mild CC(=O)N=c1sc2nc3ccccc3nc2n1N(C(C)=O)C(C)=O ZINC000254800572 ED Annotated Anodyne CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2c(C)cc(C)cc21 ZINC000254882991 ED Annotated Anodyne CC1=C(C#N)C(=O)N(CCCO)C(=O)C1=Nc1ccc(N(C)C)cc1 ZINC000254896564 ED Annotated Reactive Cc1c(CCC(=O)O)s/c(=N\C(=O)c2ccc(C(=N)N)cc2)n1C ZINC000025982524 ED Annotated Anodyne O=C1[C@@H]2[C@@H]([C@@H]3CC[C@H]2O3)S(=O)(=O)N1CCCCc1ccncc1 ZINC000025982800 ED Annotated Anodyne CCOC(=O)c1coc(-c2cn(C)c3c2C(=O)C(OC)=CC3=O)n1 ZINC000025989509 ED Annotated Mild COc1ccc(S(=O)(=O)c2ccc(NC3=NCCN3)cc2)cc1 ZINC000025999705 ED Annotated Anodyne COC1=C[C@]23CCC[N@@+]2([O-])CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 ZINC000255197567 ED Annotated Bother COC1=C[C@]23CCC[N@+]2([O-])CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 ZINC000255197568 ED Annotated Bother CC[C@H]1[C@@H]2C[C@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5O)N3[C@@H]1O ZINC000255202189 ED Annotated Anodyne CC[C@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@H]([C@@H]2[C@H]5O)N3[C@@H]1O ZINC000255202190 ED Annotated Anodyne CC[C@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@H]([C@@H]2[C@@H]5O)N3[C@@H]1O ZINC000255202191 ED Annotated Anodyne CC[C@H]1[C@H](O)N2[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@@H]2C[C@@H]1[C@@H]3[C@H]5O ZINC000255202192 ED Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@]4(C[C@H]5[C@H]6[C@@]7(CCC[C@@]6(C)CN5[C@]37O)[C@@H]4[C@H]2O)[C@@H]1O ZINC000255209576 ED Annotated Mild COC1=C[C@]23CCC[N@@+]2([O-])C[C@H](O)c2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 ZINC000255219900 ED Annotated Bother C=C1C[C@]23C[C@@]4(O)[C@@H]5[C@@]6(C)C[C@H](O)C[C@]57[C@@H]([C@H]2[C@@H](O)[C@H]1C[C@H]37)N4C6 ZINC000255224582 ED Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N(C)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@]3(CC(=O)[C@H]56)[C@@H]1O ZINC000255235326 ED Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N(C)C[C@@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@]3(CC(=O)[C@H]56)[C@@H]1O ZINC000255235328 ED Annotated Mild C[N@+]1([O-])CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000255236926 ED Annotated Bother C=C1C[C@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CC(=O)C[C@]57[C@@H]([C@H]2[C@@H](O)[C@H]1C[C@H]37)N4C6 ZINC000255250177 ED Annotated Mild C=C1C[C@]23CC[C@H]4[C@]56C[C@@H](O)C[C@@]4(C)CN[C@@H]5[C@H]2[C@H](O)[C@H]1[C@@H](O)[C@H]36 ZINC000255280985 ED Annotated Mild CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2ncccc2F)n1 ZINC000257322670 ED Annotated Anodyne CC(=O)NCc1ccnc([C@H]2CCCN2Cc2ncccc2F)n1 ZINC000257322671 ED Annotated Anodyne Nc1ncc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)cn1 ZINC000257372129 ED Annotated Anodyne C=C1[C@H]2C[C@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@@]2(C)CCC[C@@]14OC2=O ZINC000257378939 ED Annotated Mild C=C1[C@H]2C[C@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@H]1[C@@]2(C)CCC[C@@]14OC2=O ZINC000257378940 ED Annotated Mild C=C1[C@H]2C[C@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)O)[C@@H]1[C@@]2(C)CCC[C@@]14OC2=O ZINC000257378941 ED Annotated Mild C=C1[C@H]2C[C@H](O)[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@H]1[C@@]2(C)CCC[C@@]14OC2=O ZINC000257378942 ED Annotated Mild CCC[C@@H]1O[C@@H]2CC(=O)O[C@H]2C2=C1C(=O)c1c(O)cccc1C2=O ZINC000257381213 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257386818 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257386819 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257386820 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257386821 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257389089 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257389090 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257389091 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257389092 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000257412980 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000257412981 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000257412982 ED Annotated Mild CCC1=N[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@H]2[C@H]1[C@@H]3O ZINC000257416446 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@@H]2C[C@@H](OC(=O)/C(C)=C/C)C[C@H]1N2C ZINC000257419074 ED Annotated Anodyne C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000257426006 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000257426007 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000257426008 ED Annotated Mild C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000257435823 ED Annotated Anodyne C[C@H](O)[C@@]12CN(C)[C@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@]1(C(=O)Nc4ccccc41)[C@H]32 ZINC000257452303 ED Annotated Anodyne C[C@H](O)[C@@]12CN(C)[C@H]3[C@H]4CO[C@@H](C[C@H]41)[C@@]1(C(=O)Nc4ccccc41)[C@H]32 ZINC000257452304 ED Annotated Anodyne C[C@H](O)[C@@]12CN(C)[C@H]3[C@H]4CO[C@@H](C[C@H]41)[C@]1(C(=O)Nc4ccccc41)[C@H]32 ZINC000257452305 ED Annotated Anodyne C[C@H](O)[C@@]12CN(C)[C@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@@]1(C(=O)Nc4ccccc41)[C@H]32 ZINC000257452306 ED Annotated Anodyne CC(C)[C@@H]1OC(=O)C=C2C1=C[C@@H]1OC(=O)[C@]3(C)[C@H](O)[C@@H]4O[C@@H]4[C@]2(C)[C@@H]13 ZINC000257461977 ED Annotated Anodyne CC(C)[C@@H]1OC(=O)C=C2C1=C[C@@H]1OC(=O)[C@]3(C)[C@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13 ZINC000257461978 ED Annotated Anodyne CC(C)[C@@H]1OC(=O)C=C2C1=C[C@@H]1OC(=O)[C@]3(C)[C@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@H]13 ZINC000257461979 ED Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257463123 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257463124 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257463125 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257463126 ED Annotated Mild CO[C@@]12C[C@@]34CCCN3C[C@@H](O1)c1cc3c(cc1[C@H]4[C@H]2O)OCO3 ZINC000257469556 ED Annotated Anodyne C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@@]2(C)C[C@H](O)C[C@@]14OC2=O ZINC000257472133 ED Annotated Mild C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@@H]1[C@@]2(C)C[C@@H](O)C[C@@]14OC2=O ZINC000257472134 ED Annotated Mild C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@H]1[C@@]2(C)C[C@@H](O)C[C@@]14OC2=O ZINC000257472135 ED Annotated Mild C=C1[C@H]2CC[C@@]34[C@H]1[C@@]3(C2)[C@H](C(=O)O)[C@H]1[C@@]2(C)C[C@H](O)C[C@@]14OC2=O ZINC000257472136 ED Annotated Mild C/C1=C/[C@@H]2OC(=O)[C@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)C(C)C ZINC000257475390 ED Annotated Mild C/C1=C/[C@@H]2OC(=O)[C@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@@]3(O)C(C)C ZINC000257475391 ED Annotated Mild C/C1=C/[C@@H]2OC(=O)[C@]3(C)[C@@H]2[C@@H](C[C@@]2(C)OC1=CC2=O)O[C@@]3(O)C(C)C ZINC000257475392 ED Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)[C@H](C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000257477867 ED Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)[C@H](C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]21 ZINC000257477868 ED Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)[C@H](C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12 ZINC000257477869 ED Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)[C@H](C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000257477870 ED Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000257486912 ED Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12 ZINC000257486913 ED Annotated Mild C[C@H](CO)[C@@H]1OC(=O)C=C2[C@@]13O[C@H]3[C@@H]1OC(=O)[C@@]3(C)C=CC[C@]2(C)[C@@H]13 ZINC000257493705 ED Annotated Anodyne C[C@H](CO)[C@@H]1OC(=O)C=C2[C@]13O[C@H]3[C@@H]1OC(=O)[C@@]3(C)C=CC[C@]2(C)[C@@H]13 ZINC000257493706 ED Annotated Anodyne C[C@H](CO)[C@@H]1OC(=O)C=C2[C@]13O[C@@H]3[C@@H]1OC(=O)[C@@]3(C)C=CC[C@]2(C)[C@@H]13 ZINC000257493707 ED Annotated Anodyne C[C@H](CO)[C@@H]1OC(=O)C=C2[C@]3(C)CC=C[C@]4(C)C(=O)O[C@H]([C@@H]43)[C@H]3O[C@]213 ZINC000257493708 ED Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000257498716 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000257498717 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C=C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000257498718 ED Annotated Mild COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@@H](O)O[C@H]1O2 ZINC000257511218 ED Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@H](O)O[C@H]1O2 ZINC000257511219 ED Annotated Anodyne C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257528666 ED Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257528667 ED Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257528668 ED Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257528669 ED Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@@H]1O)[C@H](C(=O)O)[C@H]1[C@]2(C)C(=O)O[C@@]13CC[C@@H]2O ZINC000257532736 ED Annotated Mild in-man endogenous C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@]2(C)C(=O)O[C@@]13CC[C@@H]2O ZINC000257532737 ED Annotated Mild in-man endogenous C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@H](C(=O)O)[C@H]1[C@]2(C)C(=O)O[C@@]13CC[C@@H]2O ZINC000257532738 ED Annotated Mild in-man endogenous C=C1[C@H]2CC[C@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@]4(C)C(=O)O[C@@]23CC[C@@H]4O)[C@@H]1O ZINC000257532739 ED Annotated Mild in-man endogenous C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)C=CC2=O ZINC000257535518 ED Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000257550761 ED Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@H]2C=CC(=O)[C@@]12C ZINC000257550762 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257556453 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257556454 ED Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257556455 ED Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257563010 ED Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257563011 ED Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257563012 ED Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257563013 ED Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257574431 ED Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257574432 ED Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257574433 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000257796250 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000257796251 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000257796252 ED Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000257796253 ED Annotated Mild O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2S(=O)(=O)N1CCCCc1ccncc1 ZINC000257901157 ED Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2S(=O)(=O)N1CCCCc1ccncc1 ZINC000257901158 ED Annotated Anodyne O=C(OCN1C(=O)C[C@H]1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000026013825 ED Annotated Anodyne O=C(OCN1C(=O)C[C@@H]1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000026013829 ED Annotated Anodyne CC(=O)Nc1ccn(COCCOC(=O)Oc2ccccc2)c(=O)n1 ZINC000026022771 ED Annotated Anodyne N#Cc1cnc2nc(NS(=O)(=O)c3ccc(Cl)cc3)nn2c1N ZINC000026025513 ED Annotated Mild C/C=C(\NC(=O)[C@@H]1CC1(Br)Br)C(=O)O ZINC000026026784 ED Annotated Anodyne C/C=C(\NC(=O)[C@H]1CC1(Br)Br)C(=O)O ZINC000026026791 ED Annotated Anodyne N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000026146149 ED Annotated Anodyne CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)c[n+]1[O-] ZINC000026146173 ED Annotated Anodyne COc1cc(C)c2ccc(O)c(C(=O)O[C@@H]3C(=O)C=C[C@H]3O)c2c1 ZINC000026148735 ED Annotated Mild CN(C)c1ncnc2c1nc(N(C)C)n2Cc1cccc(NC=O)c1 ZINC000026153215 ED Annotated Anodyne N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2-c2ccccc2)C1 ZINC000026153435 ED Annotated Anodyne N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2c(Cl)cccc2Cl)C1 ZINC000026154500 ED Annotated Anodyne CC(C)(C)[C@@H]1CC(CNC(=O)/C(C#N)=N/OCc2cccnc2)=NO1 ZINC000026158156 ED Annotated Mild CC(C)(C)[C@H]1CC(CNC(=O)/C(C#N)=N/OCc2cccnc2)=NO1 ZINC000026158166 ED Annotated Mild COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000026158550 ED Annotated Anodyne COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000026158558 ED Annotated Anodyne N[C@@H]1CCN(c2cc(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000026159228 ED Annotated Anodyne N[C@H]1CCN(c2cc(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000026159235 ED Annotated Anodyne CNc1nc2c(N(C)C)ncnc2n1Cc1cccc(NC=O)c1 ZINC000026162365 ED Annotated Anodyne Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(C)CC1)C(C)(C)C2 ZINC000026165763 ED Annotated Clean Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(C)CC1)C(C)(C)C2 ZINC000026165768 ED Annotated Clean COc1cc(C)c2ccc(O)c(C(=O)O[C@@H]3C=C[C@H](O)[C@H]3O)c2c1 ZINC000026167640 ED Annotated Anodyne COc1cc(C)c2ccc(O)c(C(=O)O[C@@H]3C=CC(=O)[C@H]3O)c2c1 ZINC000026172644 ED Annotated Mild O=C(O)c1cn(-c2nccs2)c2nc(-c3ccn[nH]3)ccc2c1=O ZINC000026175085 ED Annotated Anodyne Cn1c(=O)c2ccc(Cl)cc2n2c(CSC3=NCCN3)nnc12 ZINC000026185086 ED Annotated Anodyne CN1CCN(c2cc3[nH]c4cc(O)cc(O)c4c(=O)c3cc2N)CC1 ZINC000026254616 ED Annotated Bother CN(NS(=O)(=O)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026262019 ED Annotated Anodyne CCNc1cc(-c2nc(CCCC/N=C(/NC)NC#N)n[nH]2)ccn1 ZINC000026274417 ED Annotated Mild C/C(=C\C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C)C[n+]1ccccc1 ZINC000026275220 ED Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](O)CCc3ccncc3)[C@H]2O1 ZINC000026279701 ED Annotated Anodyne CCNc1cc(-c2nc(CCCCNC(=S)NC)n[nH]2)ccn1 ZINC000026281053 ED Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](O)c3ccc(O)cc3)[C@H]2O1 ZINC000026288427 ED Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](O)CCc3ccncc3)[C@H]2O1 ZINC000026290196 ED Annotated Anodyne Cc1nc2ccccn2c1[C@@H](C)SCC/N=c1/c(O)c(O)c1=N ZINC000026290500 ED Annotated Anodyne Cc1nc2ccccn2c1[C@H](C)SCC/N=c1/c(O)c(O)c1=N ZINC000026290506 ED Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](O)CCc3ccncc3)[C@@H]2O1 ZINC000026375871 ED Annotated Anodyne CCOC(=O)c1c(N2CCN(C)CC2)c2cccnc2n(CC)c1=O ZINC000026377277 ED Annotated Anodyne COc1cc2cc(Cn3ccnc3[N+](=O)[O-])c(=O)oc2cc1OC ZINC000026377361 ED Annotated Bother CCOC(=O)c1c(N2CCOCC2)c2ccc(C)nc2n(CC)c1=O ZINC000026377806 ED Annotated Anodyne CCOC(=O)c1c(N(C)CCO)c2ccc(C)nc2n(CC)c1=O ZINC000026378749 ED Annotated Anodyne CCn1c(=O)c(C(=O)O)c(N2CCN(C)CC2)c2ccc(C)nc21 ZINC000026378751 ED Annotated Anodyne CCN(CC)CCOC(=O)c1c(N)c2cccnc2n(CC)c1=O ZINC000026379839 ED Annotated Anodyne CCOC(=O)c1c(N2CCNCC2)c2ccc(C)nc2n(CC)c1=O ZINC000026380526 ED Annotated Anodyne CCOC(=O)c1c(N2CCN(C)CC2)c2ccc(C)nc2n(C)c1=O ZINC000026383300 ED Annotated Anodyne CCOC(=O)c1c(N2CCN(C)CC2)c2ccc(C)nc2[nH]c1=O ZINC000026383765 ED Annotated Anodyne CCOC(=O)c1c(N(C(C)=O)C(C)=O)c2cccnc2n(CC)c1=O ZINC000026383831 ED Annotated Anodyne CC(C)c1c(COC(N)=O)c2c(n1C)C(=O)C=C(N1C[C@@H]1C)C2=O ZINC000026386349 ED Annotated Mild CC(C)c1c(COC(N)=O)c2c(n1C)C(=O)C=C(N1C[C@H]1C)C2=O ZINC000026386353 ED Annotated Mild CS(=O)(=O)OCCN(CCCl)c1ccc(C(=O)O)c(F)c1 ZINC000026393515 ED Annotated Reactive C[C@@H]1CN1C1=CC(=O)c2c(c(COC(N)=O)c(C3CC3)n2C)C1=O ZINC000026397765 ED Annotated Mild C[C@H]1CN1C1=CC(=O)c2c(c(COC(N)=O)c(C3CC3)n2C)C1=O ZINC000026397769 ED Annotated Mild C[C@@H]1[C@@](Cn2cncn2)(c2ccc(F)cc2F)OCCS1(=O)=O ZINC000026399997 ED Annotated Anodyne C[C@H]1[C@@](Cn2cncn2)(c2ccc(F)cc2F)OCCS1(=O)=O ZINC000026401692 ED Annotated Anodyne CN(C)CCc1c(C(N)=O)[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12 ZINC000026401920 ED Annotated Anodyne CS(=O)(=O)OCCN(CCCl)c1ccc(C(=O)O)cc1F ZINC000026403106 ED Annotated Reactive c1ccc(Cn2nnnc2[C@H](c2ccncc2)N2CCOCC2)cc1 ZINC000026438639 ED Annotated Anodyne c1ccc(Cn2nnnc2[C@@H](c2ccncc2)N2CCOCC2)cc1 ZINC000026438643 ED Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)cc(Cl)c1OC ZINC000026441044 ED Annotated Clean CN1[C@@H]2CNC[C@H]1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2 ZINC000026472826 ED Annotated Anodyne CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 ZINC000026481359 ED Annotated Anodyne CCOC(=O)[C@@]1([C@@H]2C[C@H]2C(=O)OC)CC[C@@]2(c3ccccc3)ON21 ZINC000026483670 ED Annotated Anodyne CCOC(=O)[C@@]1([C@H]2C[C@H]2C(=O)OC)CC[C@@]2(c3ccccc3)ON21 ZINC000026483676 ED Annotated Anodyne COc1cc(C(=O)O)cc2c1C[C@](C)([C@@H]1CC[C@](C)(O)[C@H](O)C1)O2 ZINC000026486563 ED Annotated Anodyne COc1cc(C(=O)O)cc2c1C[C@@](C)([C@@H]1CC[C@](C)(O)[C@H](O)C1)O2 ZINC000026486569 ED Annotated Anodyne COc1cc(C(=O)O)cc2c1C[C@](C)([C@H]1CC[C@](C)(O)[C@H](O)C1)O2 ZINC000026486576 ED Annotated Anodyne COc1cc(C(=O)O)cc2c1C[C@@](C)([C@H]1CC[C@](C)(O)[C@H](O)C1)O2 ZINC000026486583 ED Annotated Anodyne CCOC(=O)[C@]1([C@@H]2C[C@H]2C(=O)OC)CC[C@@]2(c3ccccc3)ON21 ZINC000026486645 ED Annotated Anodyne CCOC(=O)[C@]1([C@H]2C[C@H]2C(=O)OC)CC[C@@]2(c3ccccc3)ON21 ZINC000026486651 ED Annotated Anodyne CCOC(=O)c1cnc2c(Br)cnn2c1NCCO ZINC000026489308 ED Annotated Anodyne O=C1NC(=O)[C@]2(CCS(=O)(=O)c3c(Cl)cc(Cl)cc32)N1 ZINC000026492901 ED Annotated Anodyne O=C1NC(=O)[C@@]2(CCS(=O)(=O)c3c(Cl)cc(Cl)cc32)N1 ZINC000026492904 ED Annotated Anodyne COc1ccc(C(=O)O)c2c1C[C@](C)([C@@H]1CC[C@](C)(O)[C@H](O)C1)O2 ZINC000026493918 ED Annotated Anodyne COc1ccc(C(=O)O)c2c1C[C@](C)([C@H]1CC[C@](C)(O)[C@H](O)C1)O2 ZINC000026493922 ED Annotated Anodyne C=C1C[C@@](Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(F)cc2)OC1=O ZINC000026499296 ED Annotated Mild C=C1C[C@](Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(F)cc2)OC1=O ZINC000026499299 ED Annotated Mild CS(=O)(=O)NC(=O)c1cc(F)c(OC[C@H]2CCCO2)cc1F ZINC000261083700 ED Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(F)c(OC[C@@H]2CCCO2)cc1F ZINC000261083703 ED Annotated Anodyne Ic1ccc([B@@-]2(c3ccccc3)NCCO2)cc1 ZINC000261119784 ED Annotated Anodyne Ic1ccc([B@-]2(c3ccccc3)NCCO2)cc1 ZINC000261119786 ED Annotated Anodyne CN1CC[C@]23c4c5cc6sc(N)nc6c4O[C@@H]2[C@@H](O)CC[C@H]3[C@H]1C5 ZINC000261126953 ED Annotated Anodyne CCCCSC[C@@H]1CN(Cc2c[nH]c3c2N=CN[C@H]3N)C[C@@H]1O ZINC000261133474 ED Annotated Anodyne CCCCSC[C@@H]1CN(Cc2c[nH]c3c2N=CN[C@H]3N)C[C@H]1O ZINC000261133475 ED Annotated Anodyne Nc1ncnn2c(N3CCOCC3)cc(-c3ccc(CO)c(F)c3)c12 ZINC000261165734 ED Annotated Anodyne O[C@H]1[C@@H](NCc2ccc(Oc3ccccc3)cc2)C=C[C@@H](O)[C@@H]1O ZINC000261189329 ED Annotated Anodyne O[C@H]1[C@@H](NCc2ccc(Oc3ccccc3)cc2)C=C[C@@H](O)[C@H]1O ZINC000261189330 ED Annotated Anodyne CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@H]2[C@H]5O)N3[C@H]1O ZINC000261515676 ED Annotated Anodyne world CC(C)C1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)[C@@]2(C)O ZINC000263590496 ED Annotated Anodyne CC(C)C1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1C(=O)[C@]2(C)O ZINC000263590497 ED Annotated Anodyne CC(C)C1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)[C@]2(C)O ZINC000263590498 ED Annotated Anodyne CC(C)C1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1C(=O)[C@@]2(C)O ZINC000263590499 ED Annotated Anodyne CC1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)[C@]2(O)C(C)C ZINC000263590537 ED Annotated Anodyne CC1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1C(=O)[C@@]2(O)C(C)C ZINC000263590538 ED Annotated Anodyne CC1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)[C@@]2(O)C(C)C ZINC000263590539 ED Annotated Anodyne CC1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1C(=O)[C@]2(O)C(C)C ZINC000263590540 ED Annotated Anodyne CC(=O)N1CCN(C(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)CC1 ZINC000263590941 ED Annotated Anodyne CC(=O)N1CCN(C(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)CC1 ZINC000263590942 ED Annotated Anodyne O=C(NN=Cc1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000263591052 ED Annotated Reactive CC1=NN=C(C(=O)NN=Cc2ccccc2Cl)/C1=N\NN(C)C ZINC000263591259 ED Annotated Reactive O=C1C[C@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@H]2C[C@H]6[C@@H]5[C@H]43 ZINC000263591347 ED Annotated Anodyne O=C1C[C@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@H]2C[C@H]6[C@@H]5[C@@H]43 ZINC000263591348 ED Annotated Anodyne O=C1C[C@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@H]2C[C@H]6[C@H]5[C@@H]43 ZINC000263591349 ED Annotated Anodyne CCOC(=O)[C@@H]1C(=O)CC(=O)[C@H](C(=O)OCC)[C@H]1c1ccc(O)cc1 ZINC000263591375 ED Annotated Anodyne COC[C@@H]1OS(=O)(=O)N[C@H](CC(=O)SC(C)(C)C)[C@H]1C ZINC000263591733 ED Annotated Anodyne COC[C@@H]1OS(=O)(=O)N[C@@H](CC(=O)SC(C)(C)C)[C@H]1C ZINC000263591734 ED Annotated Anodyne O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1ccncc1 ZINC000263592003 ED Annotated Bother COc1ccc(-n2nc([N+](=O)[O-])c(=NCc3ccco3)n2O)cc1 ZINC000263592020 ED Annotated Bother CC(C)N1CCC(N2CCN(Cc3cccnc3)C[C@H]2CCO)CC1 ZINC000263592034 ED Annotated Anodyne O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCCC1 ZINC000263592107 ED Annotated Bother COC1=C/C(=C/NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)C=CC1=O ZINC000263592131 ED Annotated Mild Cc1cccc(-n2nc([N+](=O)[O-])c(=NCc3cccnc3)n2O)c1 ZINC000263592175 ED Annotated Bother O=[N+]([O-])c1nn(-c2ccccc2)n(O)c1=NCCc1ccccc1 ZINC000263592231 ED Annotated Bother O=[N+]([O-])c1nn(-c2cccc(Cl)c2)n(O)c1=NCc1cccnc1 ZINC000263592239 ED Annotated Bother O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1cccnc1 ZINC000263592244 ED Annotated Bother CC(C)(C)CC(C)(C)N=c1c(=C2C=CC(=O)C=C2)[nH]c2n1C=CNC=2 ZINC000263592267 ED Annotated Mild C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000263592331 ED Annotated Anodyne NS(=O)(=O)c1ccc(N=Nc2nc3c(S)ncnc3[nH]2)cc1 ZINC000263600571 ED Annotated Clean Cc1cc(O)nc(NN2[C@H](Cl)C(=O)[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000263602176 ED Annotated Reactive CCCC(=O)O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21 ZINC000263603338 ED Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccco2)[C@@]2(C#N)C(=N)O[C@@]1(C)C2(C#N)C#N ZINC000263608552 ED Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccco2)[C@@]2(C#N)C(=N)O[C@@]1(C)C2(C#N)C#N ZINC000263608553 ED Annotated Mild O=[N+]([O-])c1ccc(O)c(C=NNc2ccc(S(=O)(=O)O)cc2)c1 ZINC000263613317 ED Annotated Mild Bc1c2ccc(n2)c(B)c2ccc(cc3ccc(cc4ccc1[nH]4)n3)[nH]2 ZINC000263614767 ED Annotated Bother O=C(O)c1cccc(CNCCCON=Cc2cc(O)nc(O)n2)c1 ZINC000263620342 ED Annotated Mild in-vitro O=C(O)/C=C/C(=O)NNC(=O)c1cnccc1Cc1ccccc1 ZINC000263620870 ED Annotated Reactive N[C@@H](C[C@@H]1C/C(=N\[C@@H]2C[C@@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000263620927 ED Annotated Anodyne in-vitro N[C@@H](C[C@@H]1C/C(=N\[C@H]2C[C@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000263620928 ED Annotated Anodyne in-vitro N[C@@H](C[C@@H]1C/C(=N\[C@H]2C[C@@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000263620929 ED Annotated Anodyne in-vitro COc1cc(C)c2ccc(O)c(C(=O)O[C@H]3[C@@H](O)C=C[C@H]3O)c2c1 ZINC000263621217 ED Annotated Anodyne in-vitro CCC1=C(C)C(=O)n2c1cc1c(C)c(S(=O)(=O)O)c(C)n1c2=O ZINC000026501907 ED Annotated Anodyne O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@@H]1CCC[C@H]1Br ZINC000026501960 ED Annotated Reactive O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@H]1CCC[C@H]1Br ZINC000026501963 ED Annotated Reactive O=[N+]([O-])c1nccn1C[C@H](O)CN[C@H]1CCC[C@H]1Br ZINC000026501966 ED Annotated Reactive O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@@H]1CCCC[C@@H]1Br ZINC000026501969 ED Annotated Reactive O=[N+]([O-])c1nccn1C[C@H](O)CN[C@@H]1CCCC[C@@H]1Br ZINC000026501972 ED Annotated Reactive CCO[P@](=O)(O)COC[C@@H]1CC[C@@H](N2CCC(=N)NC2=O)O1 ZINC000026505271 ED Annotated Anodyne CC1(C)[C@@H](n2cnc3ccccc3c2=O)C(=O)C[C@@H]2C(=O)CCCN21 ZINC000026568973 ED Annotated Anodyne CC1(C)[C@@H](n2cnc3ccccc3c2=O)C(=O)C[C@@H]2[C@@H](O)CCCN21 ZINC000026569457 ED Annotated Anodyne CC1(C)[C@H](n2cnc3ccccc3c2=O)[C@@H](O)C[C@H]2[C@@H](O)CCCN21 ZINC000026570038 ED Annotated Anodyne CC1(C)[C@H](n2cnc3ccccc3c2=O)[C@H](O)C[C@H]2[C@@H](O)CCCN21 ZINC000026570765 ED Annotated Anodyne CC1(C)[C@@H](n2cnc3ccccc3c2=O)[C@H](O)C[C@@H]2[C@@H](O)CCCN21 ZINC000026571328 ED Annotated Anodyne CC1(C)[C@H](n2cnc3ccccc3c2=O)C(=O)C[C@H]2[C@@H](O)CCCN21 ZINC000026571340 ED Annotated Anodyne O=C(N[C@H](CO)[C@@H](F)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl ZINC000026572321 ED Annotated Reactive O=C(N[C@@H](CO)[C@@H](F)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl ZINC000026572323 ED Annotated Reactive O=C(N[C@H](CO)[C@H](F)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl ZINC000026572326 ED Annotated Reactive O=C(N[C@@H](CO)[C@H](F)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl ZINC000026572329 ED Annotated Reactive CNc1ccccc1C(=O)N[C@@H]1[C@@H](O)C[C@@H]2[C@@H](O)CCCN2C1(C)C ZINC000026575043 ED Annotated Anodyne CNc1ccccc1C(=O)N[C@H]1[C@@H](O)C[C@@H]2[C@@H](O)CCCN2C1(C)C ZINC000026575045 ED Annotated Anodyne CC1(C)[C@@H](n2cnc3ccccc3c2=O)[C@@H](O)C[C@@H]2[C@@H](O)CCCN21 ZINC000026575083 ED Annotated Anodyne CC1(C)[C@@H](N2CNc3ccccc3C2=O)[C@@H](O)C[C@@H]2[C@@H](O)CCCN21 ZINC000026575808 ED Annotated Anodyne CC(C)(Br)C(C)(C)NC[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000026576683 ED Annotated Bother CC(C)(Br)C(C)(C)NC[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000026576684 ED Annotated Bother CCCS(=O)(=O)c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1 ZINC000026576759 ED Annotated Anodyne Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1 ZINC000026577046 ED Annotated Bother O=C1c2ccsc2C(=O)c2c(NCCO)ccc(NCCO)c21 ZINC000026579296 ED Annotated Clean CCOC(=O)c1nc(O)c2cc3cc4c(cc3nc2n1)OCCO4 ZINC000026580017 ED Annotated Bother CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@H]2NC(C)=O ZINC000026580069 ED Annotated Bother CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@@H]2NC(C)=O ZINC000026580070 ED Annotated Bother O=c1[nH]c2ccccc2n(NC(=S)NCc2ccccc2)c1=O ZINC000026641430 ED Annotated Anodyne CCOC(=O)c1nc2nc3cc(OC)c(OC)cc3cc2c(=O)n1C ZINC000026642363 ED Annotated Bother CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[C@H](NC(C)=O)[C@H](O)C(C)(C)O2 ZINC000026644627 ED Annotated Bother CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[C@@H](NC(C)=O)[C@H](O)C(C)(C)O2 ZINC000026644633 ED Annotated Bother CCNC(=O)c1nc(O)c2cc3cc(OC)c(OC)cc3nc2n1 ZINC000026648425 ED Annotated Bother COc1cc2cc3c(O)nc(C(=O)OCCO)nc3nc2cc1OC ZINC000026649239 ED Annotated Bother CCOC(=O)c1nc(O)c2cc3cc([S@@](C)=O)ccc3nc2n1 ZINC000026654556 ED Annotated Bother CCOC(=O)c1nc(O)c2cc3cc([S@](C)=O)ccc3nc2n1 ZINC000026654560 ED Annotated Bother CC[C@@]1(O)C=C(C(=O)NCc2cnc3ccc(O)cc3c2)COC1=O ZINC000026660597 ED Annotated Anodyne CC[C@]1(O)C=C(C(=O)NCc2cnc3ccc(O)cc3c2)COC1=O ZINC000026660603 ED Annotated Anodyne CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](Oc2cc[nH]c(=O)c2)[C@@H]1O ZINC000026662151 ED Annotated Bother C[C@@H](C(=O)O)c1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)O)cn12 ZINC000026662183 ED Annotated Anodyne C[C@H](C(=O)O)c1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)O)cn12 ZINC000026662189 ED Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1C ZINC000026664605 ED Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1C ZINC000026664609 ED Annotated Anodyne CC[C@@]1(O)C=C(C(=O)NCc2cnc3ccccc3c2)COC1=O ZINC000026668733 ED Annotated Anodyne CC[C@]1(O)C=C(C(=O)NCc2cnc3ccccc3c2)COC1=O ZINC000026668738 ED Annotated Anodyne CC1(C)Oc2ccc(C(N)=S)cc2[C@@H](Oc2cc[nH]c(=O)c2)[C@@H]1O ZINC000026670382 ED Annotated Anodyne O=C(O[C@H]1COc2cc(O)cc(O)c2C1)c1ccc(O)c(O)c1O ZINC000026673947 ED Annotated Clean O=C(O[C@@H]1COc2cc(O)cc(O)c2C1)c1ccc(O)c(O)c1O ZINC000026673950 ED Annotated Clean CNC(=O)OCc1cc2c(c3c1[C@H]1N[C@H]1C3)C(=O)c1ccccc1C2=O ZINC000026715947 ED Annotated Clean CNC(=O)OCc1cc2c(c3c1[C@@H]1N[C@@H]1C3)C(=O)c1ccccc1C2=O ZINC000026715952 ED Annotated Clean Cc1csc(SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)n1 ZINC000026720663 ED Annotated Anodyne N=c1sc2cc(OC(F)(F)F)ccc2n1CCS(=O)(=O)O ZINC000026721214 ED Annotated Anodyne C=C1C[C@@](COc2cc(C(=O)O)n(C)n2)(c2ccccc2)OC1=O ZINC000026728655 ED Annotated Mild C=C1C[C@](COc2cc(C(=O)O)n(C)n2)(c2ccccc2)OC1=O ZINC000026728660 ED Annotated Mild O=C1CCCN1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(CF)(CF)[C@H]1O ZINC000026730647 ED Annotated Bother NCCCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O ZINC000026734221 ED Annotated Anodyne CNC(=O)N1CCC[C@@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 ZINC000026734425 ED Annotated Anodyne CNC(=O)N1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 ZINC000026734429 ED Annotated Anodyne COC(=O)c1c(SC)nc(C2CCCCC2)n(CC(=O)O)c1=O ZINC000026740565 ED Annotated Anodyne O=c1c2cc(Cl)c([N+](=O)[O-])cc2nnn1[C@@H]1CN2CCC1CC2 ZINC000026743273 ED Annotated Bother O=c1c2cc(Cl)c([N+](=O)[O-])cc2nnn1[C@H]1CN2CCC1CC2 ZINC000026743278 ED Annotated Bother CC/N=C(\NCC)N/N=C/c1ccc(/C=C/c2n(C)cc[n+]2C)cc1 ZINC000026821385 ED Annotated Mild CC(=O)OCc1cnc(C)c(O)c1/C=N\NC(=O)c1ccncc1 ZINC000026823903 ED Annotated Reactive C[n+]1c(COc2ccc(/C=N/Nc3nc[nH]n3)cc2)cn2ccccc21 ZINC000026824241 ED Annotated Mild O=c1n([C@@H]2CO[C@@H](CO)O2)ccc2nc(-c3ccc(F)cc3)cn12 ZINC000026825601 ED Annotated Anodyne O=c1n([C@@H]2CO[C@H](CO)O2)ccc2nc(-c3ccc(F)cc3)cn12 ZINC000026825606 ED Annotated Anodyne O=c1n([C@H]2CO[C@@H](CO)O2)ccc2nc(-c3ccc(F)cc3)cn12 ZINC000026825610 ED Annotated Anodyne O=c1n([C@H]2CO[C@H](CO)O2)ccc2nc(-c3ccc(F)cc3)cn12 ZINC000026825612 ED Annotated Anodyne Cc1ccc2n(c1)cc(COc1ccc(/C=N/NC(=N)N)cc1)[n+]2C ZINC000026826881 ED Annotated Mild CN(C)C(=N)N/N=C/c1ccc(-c2cn3ccsc3[n+]2C)cc1 ZINC000026827348 ED Annotated Mild Cc1ccn2cc(COc3ccc(/C=N/NC(=N)N)cc3)[n+](C)c2c1 ZINC000026828402 ED Annotated Mild C/N=C(/NC)N/N=C/c1ccc(-c2cn3ccc(C)cc3[n+]2C)cc1 ZINC000026830624 ED Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@@H](C#N)C3)c(F)c2)C(=O)O1 ZINC000026830833 ED Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@H](C#N)C3)c(F)c2)C(=O)O1 ZINC000026830837 ED Annotated Mild Cn1c[n+](Cc2ccc(/C=N/NC3=NCCCN3)cc2)c2ccccc21 ZINC000026831372 ED Annotated Mild C[n+]1c(-c2ccc(/C=N/NC(=N)N)cc2)cn2cc(Cl)ccc21 ZINC000026831494 ED Annotated Mild C[n+]1c(-c2ccc(/C=N/NC(=N)N[N+](=O)[O-])cc2)cn2ccccc21 ZINC000026831552 ED Annotated Mild O=S(=O)(c1ccc(Br)cc1)N1[C@@H]2COCOC[C@@H]21 ZINC000026832963 ED Annotated Anodyne C[n+]1c(COc2ccc(/C=N/NC(=N)NO)cc2)cn2ccccc21 ZINC000026833806 ED Annotated Mild Cn1cc[n+](C)c1COc1ccc(/C=N/NC(=N)N2CCCC2)cc1 ZINC000026834104 ED Annotated Mild CC/N=C(\NCC)N/N=C/c1ccc(OCc2n(C)cc[n+]2C)cc1 ZINC000026834339 ED Annotated Mild C[n+]1c(-c2ccc(/C=N/NC(=N)N)cc2)c([N+](=O)[O-])n2ccccc21 ZINC000026834372 ED Annotated Mild Cn1cc[n+](C)c1/C=C/c1ccc(/C=N/NC(=N)N2CCCC2)cc1 ZINC000026835036 ED Annotated Mild Cn1c(COc2ccc(/C=N/NC(=N)N)cc2)[n+](C)c2ccccc21 ZINC000026835190 ED Annotated Mild C[n+]1c(-c2ccc(/C=N/NC3=NCCCN3)cc2)cn2ccsc21 ZINC000026835243 ED Annotated Mild C[n+]1c(-c2ccc(/C=N/NC3=NCCN3)cc2)cn2ccsc21 ZINC000026835245 ED Annotated Mild COC(=O)c1cc(Nc2cc(C)[n+](C)c(N)n2)cc(C(=O)OC)c1 ZINC000026836082 ED Annotated Anodyne COc1ccc2c(c1)[C@H](NN1CCN(C)CC1)c1cccnc1CO2 ZINC000026836452 ED Annotated Anodyne CCOC(=O)c1csc(-c2nc3c([nH]2)C(=O)C=C(OC)C3=O)n1 ZINC000026844966 ED Annotated Mild CC(=O)CN1CN(CCc2ccccc2)C2(CCN(C)CC2)C1=O ZINC000026851196 ED Annotated Anodyne N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(O)cn3-c2nccs2)C1 ZINC000026942634 ED Annotated Anodyne N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(O)cn3-c2nccs2)C1 ZINC000026942643 ED Annotated Anodyne O=C1/C(=N\c2ccccc2)C=C(O)c2noc(N(CCO)CCO)c21 ZINC000026964800 ED Annotated Mild N[C@@H]1CCN(c2nc3c(cc2F)c(=O)ccn3-c2nccs2)C1 ZINC000026970180 ED Annotated Anodyne N[C@H]1CCN(c2nc3c(cc2F)c(=O)ccn3-c2nccs2)C1 ZINC000026970188 ED Annotated Anodyne CCN1c2ncc(-c3ccc(Cl)cc3)nc2C(N)=NS1(=O)=O ZINC000026971350 ED Annotated Anodyne CCC/N=C(/NC#N)NCCCn1nc(-c2ccccc2)ccc1=O ZINC000026989353 ED Annotated Mild CC(=O)NCc1cccc2c1OCCc1sc(N=C(N)N)nc1-2 ZINC000026991580 ED Annotated Mild CN(C)CCNCc1c[nH]c2nc(N3CCCC3)c(F)cc2c1=O ZINC000026991888 ED Annotated Anodyne COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(C)(=O)=O ZINC000027079068 ED Annotated Anodyne COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(C)(=O)=O ZINC000027079072 ED Annotated Anodyne COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(C)(=O)=O ZINC000027079078 ED Annotated Anodyne CC(C)COC(=O)OC[C@@H](CO)CCn1cnc2cnc(N)nc21 ZINC000027084287 ED Annotated Anodyne CC(C)COC(=O)OC[C@H](CO)CCn1cnc2cnc(N)nc21 ZINC000027084293 ED Annotated Anodyne CCCCOC(=O)OC[C@@H](CO)CCn1cnc2cnc(N)nc21 ZINC000027086986 ED Annotated Anodyne CCCCOC(=O)OC[C@H](CO)CCn1cnc2cnc(N)nc21 ZINC000027086993 ED Annotated Anodyne CCc1c(Sc2ccccc2)n(CSCCO)c(=O)[nH]c1=O ZINC000027096818 ED Annotated Anodyne CN(CCCNC(=N)N)c1nc(N2CCCC2)c2ccccc2n1 ZINC000027102977 ED Annotated Anodyne CC/N=C(/N)NCCNc1nc(N(CC)CC)nc2ccccc12 ZINC000027103096 ED Annotated Mild CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N ZINC000027103763 ED Annotated Anodyne CCN(CC)c1nc(NCC/N=C(/NC)NC#N)c2ccccc2n1 ZINC000027104195 ED Annotated Mild O=[P@]1(O)Oc2ccccc2I(=O)(O)O1 ZINC000027107095 ED Annotated Anodyne Nc1nc(N)c2c(n1)NC(=O)[C@H](CCc1ccc(C(=O)O)cc1)C2 ZINC000027107509 ED Annotated Anodyne Nc1nc(N)c2c(n1)NC(=O)[C@@H](CCc1ccc(C(=O)O)cc1)C2 ZINC000027107512 ED Annotated Anodyne COC(=O)c1ccc(CC[C@@H]2Cc3c(N)nc(N)nc3NC2=O)cc1 ZINC000027108814 ED Annotated Anodyne COC(=O)c1ccc(CC[C@H]2Cc3c(N)nc(N)nc3NC2=O)cc1 ZINC000027108817 ED Annotated Anodyne CN(Cc1ccncc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000027180326 ED Annotated Anodyne CN(Cc1ccncc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000027180332 ED Annotated Anodyne O=C(O)CNc1nc2cc3nc(NCC(=O)O)sc3cc2s1 ZINC000027183526 ED Annotated Anodyne CN(C)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O ZINC000027209293 ED Annotated Clean C#CCN/C(=N/CCCCn1nc(-c2ccccc2)ccc1=O)NC#N ZINC000027210985 ED Annotated Mild CCC1=C(C)N[C@@H](OC)C([C@@H](O)CN2C(=O)c3ccccc3C2=O)=C1 ZINC000027211177 ED Annotated Anodyne CCC1=C(C)N[C@H](OC)C([C@@H](O)CN2C(=O)c3ccccc3C2=O)=C1 ZINC000027211179 ED Annotated Anodyne CCC1=C(C)N[C@@H](OC)C([C@H](O)CN2C(=O)c3ccccc3C2=O)=C1 ZINC000027211183 ED Annotated Anodyne CCC1=C(C)N[C@H](OC)C([C@H](O)CN2C(=O)c3ccccc3C2=O)=C1 ZINC000027211187 ED Annotated Anodyne C/N=C(/NC#N)NCCCCn1nc(-c2ccccc2)cc(C)c1=O ZINC000027211301 ED Annotated Mild CC/N=C(/NC#N)NCCCn1nc(-c2ccccc2)c(C)cc1=O ZINC000027211342 ED Annotated Mild COC1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@H]2[C@@H]3C2(C)C)C1=O ZINC000027212761 ED Annotated Mild COC1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2[C@H]3C2(C)C)C1=O ZINC000027212765 ED Annotated Mild CC/N=C(/NC#N)NCCCCn1nc(-c2ccccc2)ccc1=O ZINC000027213151 ED Annotated Mild CN(C)/C(=N/CCCCn1nc(-c2ccccc2)ccc1=O)NC#N ZINC000027213175 ED Annotated Mild C/N=C(/NC#N)NCCCCn1nc(-c2ccccc2)c(C)cc1=O ZINC000027213187 ED Annotated Mild C[C@@H](CS(C)(=O)=O)O[P@@](N)(=O)N(CCCl)CCCl ZINC000027214169 ED Annotated Reactive C[C@H](CS(C)(=O)=O)O[P@](N)(=O)N(CCCl)CCCl ZINC000027214172 ED Annotated Reactive C[C@@H](CS(C)(=O)=O)O[P@](N)(=O)N(CCCl)CCCl ZINC000027214176 ED Annotated Reactive C/N=C(/NC#N)NCCCCn1nc(Nc2ccccc2)ccc1=O ZINC000027214231 ED Annotated Mild C/N=C(/NC#N)N(C)CCCCn1nc(-c2ccccc2)ccc1=O ZINC000027214377 ED Annotated Mild C/N=C(/NC#N)NCCCCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000027214591 ED Annotated Mild CC/N=C(/NC#N)NCCCn1nc(-c2ccccc2)cc(C)c1=O ZINC000027216680 ED Annotated Mild C=CCN1N=C(c2ccc3c(c2)N(S(C)(=O)=O)CCO3)CCC1=O ZINC000027299686 ED Annotated Mild CCC(C)(C)C(=O)C(=O)N1[C@H]2CCC[C@@H]1C(=O)OCCCOC2=O ZINC000027302976 ED Annotated Anodyne CC(C)C[C@H]1C(=O)N(S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000027303624 ED Annotated Anodyne CC(C)NC(=N)N/C(N)=N\OCCCOc1cc(F)c(F)cc1F ZINC000027305789 ED Annotated Mild CC(C)NC(=N)N/C(N)=N\OCCCOc1ccc(F)cc1F ZINC000027307154 ED Annotated Mild CC(C)NC(=N)N/C(N)=N\OCCCOc1ccc(Cl)cc1 ZINC000027308288 ED Annotated Mild CC(C)NC(=N)N/C(N)=N\OCCCOc1ccc(F)c(F)c1 ZINC000027308803 ED Annotated Mild CC(C)NC(=N)N/C(N)=N\OCCCOc1cc(F)cc(F)c1F ZINC000027308813 ED Annotated Mild O=CNC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027324121 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027324568 ED Annotated Anodyne COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2S(N)(=O)=O)C[C@H]1C ZINC000027328876 ED Annotated Mild COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2n1CCN ZINC000027409030 ED Annotated Anodyne CN1C(C(=O)Nc2ncccc2O)=C(O)c2ccccc2S1(=O)=O ZINC000027409712 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(C)=O)C3)C(=O)O1 ZINC000027412654 ED Annotated Anodyne C[C@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn3c2c1SCC3 ZINC000027413136 ED Annotated Anodyne CCNC/C=C\CNC/C=C\CNC/C=C\CNC/C=C\CNCC ZINC000027414647 ED Annotated Anodyne CN(C)S(=O)(=O)Nc1cccc(/C(=N/O)c2cccc(N)c2)c1 ZINC000027417428 ED Annotated Mild CC(=O)NC[C@H]1CN(c2ccc3c(c2)CC[C@@H](C)N3C=O)C(=O)O1 ZINC000027417435 ED Annotated Anodyne CCN(CC)S(=O)(=O)N[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000027417867 ED Annotated Anodyne CN(C)S(=O)(=O)Nc1cccc(/C(=N/O)c2ccc(CO)cc2)c1 ZINC000027419358 ED Annotated Mild CNc1nc(NCC(F)(F)F)nc(N(CO)CC(F)(F)F)n1 ZINC000027420038 ED Annotated Anodyne O=C1N[C@@H]2[C@@H](N=CN2Cc2ccccc2)C(=O)N(Cc2ccccc2)N1 ZINC000027421242 ED Annotated Anodyne O=C1N[C@H]2[C@@H](N=CN2Cc2ccccc2)C(=O)N(Cc2ccccc2)N1 ZINC000027421246 ED Annotated Anodyne O=C1N[C@@H]2[C@H](N=CN2Cc2ccccc2)C(=O)N(Cc2ccccc2)N1 ZINC000027421250 ED Annotated Anodyne O=C1N[C@H]2[C@H](N=CN2Cc2ccccc2)C(=O)N(Cc2ccccc2)N1 ZINC000027421254 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CC[C@H](C)N3C=O)C(=O)O1 ZINC000027421580 ED Annotated Anodyne O=S(=O)(N[C@@H]1CCN2CCc3ccccc3[C@@H]2C1)N1CCCC1 ZINC000027422133 ED Annotated Anodyne CCN1c2ncc(C)nc2C(NCc2ccccc2)=NS1(=O)=O ZINC000027423813 ED Annotated Anodyne CN(C)S(=O)(=O)Nc1cccc(/C(=N/O)c2cccc(CO)c2)c1 ZINC000027424135 ED Annotated Mild Cc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 ZINC000027425039 ED Annotated Anodyne Cc1c(-c2ccccc2)nc2nc3c(ncn3COCCO)c(O)n12 ZINC000027426206 ED Annotated Anodyne CCN(CC)CCOc1ccc2ncn(/C=C/C(=O)O)c(=O)c2c1 ZINC000027426657 ED Annotated Anodyne CCNC1=NS(=O)(=O)N(CC)c2ncc(-c3ccccc3)nc21 ZINC000027428305 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)N(C=O)CCCC3)C(=O)O1 ZINC000027428570 ED Annotated Anodyne C[C@]1(Cl)C(=O)N=C(O)N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000027429132 ED Annotated Clean C[C@@]1(Cl)C(=O)N=C(O)N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000027429137 ED Annotated Clean C[C@]1(Cl)C(=O)N=C(O)N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000027429141 ED Annotated Clean C[C@@]1(Cl)C(=O)N=C(O)N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000027429146 ED Annotated Clean O=C(O)COc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 ZINC000027429340 ED Annotated Mild OCCOCn1cnc2c(O)n3cc(-c4ccccc4)nc3nc21 ZINC000027434561 ED Annotated Anodyne c1cc(-c2cn3cc(C4=NCCN4)ccc3n2)ccc1C1=NCCN1 ZINC000027436103 ED Annotated Anodyne COc1ccc2o/c(=N/NC(=O)c3ccncc3)c(C(N)=O)cc2c1 ZINC000027496701 ED Annotated Reactive CNC(=O)c1cc2c(s1)[C@@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2 ZINC000027517794 ED Annotated Anodyne CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CCCNC2=O)[C@@H]1O ZINC000027518242 ED Annotated Bother COC(=O)c1cc2c(s1)[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2 ZINC000027518412 ED Annotated Anodyne COc1ccc(C2=NN(C(=O)CCS)[C@@H](C(=O)O)S2)cc1 ZINC000027521184 ED Annotated Mild COc1ccc(C2=NN(C(=O)CCS)[C@H](C(=O)O)S2)cc1 ZINC000027521186 ED Annotated Mild COC(=O)COC[C@@H]1CN2C(=O)CC[C@]2(c2ccc(Cl)cc2)O1 ZINC000027523066 ED Annotated Anodyne CN(C)CCCNc1ncnc2c1C(=O)C(N1CCCCC1)=CC2=O ZINC000027523691 ED Annotated Mild O=C(O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)CS2 ZINC000027524551 ED Annotated Anodyne O=C(O)c1cn2c3c(cc(N4CCOCC4)cc3c1=O)SCC2 ZINC000027524883 ED Annotated Anodyne O=C(O)c1cn2c3c(c(Cl)c(F)cc3c1=O)S(=O)(=O)CC2 ZINC000027525411 ED Annotated Anodyne CN1CCN(c2cc3c4c(c2)c(=O)c(C(=O)O)cn4CCS3)CC1 ZINC000027525433 ED Annotated Anodyne N#Cc1cc2c(nc1N1CCOCC1)sc1c(Cl)nnnc12 ZINC000027525686 ED Annotated Mild C/C(=C\C[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)[C@@H]1O)[C@@H](O)[C@@H](C)O ZINC000027527104 ED Annotated Anodyne N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)nc3)o2)cn1 ZINC000027527257 ED Annotated Mild O=C(O)CN1C(=O)C[C@H](Cc2ccc(Br)cc2)C1=O ZINC000027527581 ED Annotated Anodyne C/C(=C\C[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)[C@H]1O)[C@@H](O)[C@@H](C)O ZINC000027546662 ED Annotated Anodyne N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cn3)o2)nc1 ZINC000027548024 ED Annotated Mild CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3CS2)CC1 ZINC000027548667 ED Annotated Anodyne NC(=O)OCc1c2c(n3c1CCC3)C(=O)C=C(N1CCCC1)C2=O ZINC000027549094 ED Annotated Mild Cc1c(N2CC[C@@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027553585 ED Annotated Anodyne Cc1c(N2CC[C@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027553588 ED Annotated Anodyne COC(=O)c1ccc2c(c1)[C@H](n1ccccc1=O)C(=O)C(C)(C)O2 ZINC000027553755 ED Annotated Anodyne COC(=O)c1ccc2c(c1)[C@@H](n1ccccc1=O)C(=O)C(C)(C)O2 ZINC000027553758 ED Annotated Anodyne C[C@@]1(CO)COc2c(NCCO)ccc(C(=O)c3ccccc3)c2N1 ZINC000027554759 ED Annotated Clean C[C@]1(CO)COc2c(NCCO)ccc(C(=O)c3ccccc3)c2N1 ZINC000027554761 ED Annotated Clean CC1(C)Oc2ccc(-c3nnn[nH]3)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000027555600 ED Annotated Anodyne CC1(C)Oc2ccc(-c3nnn[nH]3)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000027555602 ED Annotated Anodyne CC1(C)Oc2ccc(NC(N)=S)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000027555608 ED Annotated Anodyne CC1(C)Oc2ccc(NC(N)=S)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000027555610 ED Annotated Anodyne CC1(C)Oc2ccc(C3=NCCN3)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000027556689 ED Annotated Anodyne CC1(C)Oc2ccc(C3=NCCN3)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000027556691 ED Annotated Anodyne COc1ccc(C(=O)O)c2c1C[C@](C)([C@@H]1CC[C@](C)(O)[C@@H](O)C1)O2 ZINC000027558239 ED Annotated Anodyne COc1ccc(C(=O)O)c2c1C[C@@](C)([C@@H]1CC[C@](C)(O)[C@@H](O)C1)O2 ZINC000027558241 ED Annotated Anodyne COc1ccc(C(=O)O)c2c1C[C@](C)([C@H]1CC[C@](C)(O)[C@@H](O)C1)O2 ZINC000027558243 ED Annotated Anodyne COc1ccc(C(=O)O)c2c1C[C@@](C)([C@H]1CC[C@](C)(O)[C@@H](O)C1)O2 ZINC000027558245 ED Annotated Anodyne COc1cc(OS(C)(=O)=O)ccc1-c1cn2ccnc(OC)c2n1 ZINC000027560893 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C=O)c3)c(F)c2)C(=O)O1 ZINC000027561284 ED Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027561941 ED Annotated Anodyne CCOC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1O ZINC000027561945 ED Annotated Anodyne CCOC(=O)CC(=O)N1CCS[C@H]1COc1ccccc1O ZINC000027561948 ED Annotated Anodyne COc1ccc2c(c1)CCC[C@@]21CC(=O)N(CCCN(C)C)C1=O ZINC000027562552 ED Annotated Anodyne COc1ccc2c(c1)CCC[C@]21CC(=O)N(CCCN(C)C)C1=O ZINC000027562555 ED Annotated Anodyne O=P(O)(O)[C@@H](Cl)c1cccc([C@@H](Cl)P(=O)(O)O)n1 ZINC000027563634 ED Annotated Reactive O=P(O)(O)[C@H](Cl)c1cccc([C@@H](Cl)P(=O)(O)O)n1 ZINC000027563637 ED Annotated Reactive O=P(O)(O)[C@@H](Cl)c1cccc([C@H](Cl)P(=O)(O)O)n1 ZINC000027563640 ED Annotated Reactive CN(CCO)CCCCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O ZINC000027564631 ED Annotated Anodyne CN(CCO)CCCCN1C(=O)C[C@]2(CCCc3ccccc32)C1=O ZINC000027564633 ED Annotated Anodyne CN(CCO)CCCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O ZINC000027619854 ED Annotated Anodyne CN(CCO)CCCN1C(=O)C[C@]2(CCCc3ccccc32)C1=O ZINC000027619859 ED Annotated Anodyne Cc1cc2nc3ccc(/C(O)=N/c4nnn[nH]4)cn3c(=O)c2s1 ZINC000027625854 ED Annotated Mild CC(=O)O[C@H](CC1CC(=O)N(C)C(=O)C1)[C@@H]1C[C@@H](C)C[C@H](C)C1=O ZINC000027627493 ED Annotated Anodyne CC(=O)O[C@H](CC1CC(=O)N(C)C(=O)C1)[C@H]1C[C@@H](C)C[C@H](C)C1=O ZINC000027627498 ED Annotated Anodyne N=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21 ZINC000027628817 ED Annotated Clean CC(=O)c1cc(Br)cc(/C(O)=N/c2nnn[nH]2)c1O ZINC000027629546 ED Annotated Mild CC(=O)Oc1ccc(-c2csc(N=C(N)N)n2)cc1OC(C)=O ZINC000027630632 ED Annotated Mild CC(=O)c1cc(Br)cc(NC(=O)c2nnn[nH]2)c1O ZINC000027631035 ED Annotated Anodyne Cn1c(CCl)nc2cc3c(=O)n(C)c(CCl)nc3cc2c1=O ZINC000027631359 ED Annotated Reactive CNCCNc1ccc2c3c(nn2CCN)-c2cnccc2C(=O)c13 ZINC000027633225 ED Annotated Clean NCCNc1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1nccs1 ZINC000027644567 ED Annotated Anodyne C#CCOCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000027644676 ED Annotated Mild CC(=O)O[C@H](C)n1cnc2c(N)nc(I)nc21 ZINC000027651218 ED Annotated Anodyne CC(=O)O[C@@H](C)n1cnc2c(N)nc(I)nc21 ZINC000027651222 ED Annotated Anodyne C[C@@H](COC(=O)[C@@H]1CCCC(C)(C)C1)NC(=O)[C@H](N)CC(=O)O ZINC000027652192 ED Annotated Anodyne C[C@@H](COC(=O)[C@H]1CCCC(C)(C)C1)NC(=O)[C@H](N)CC(=O)O ZINC000027652196 ED Annotated Anodyne CCOCCOC(=O)/C(O)=N/c1nc(-c2cc(OC)no2)cs1 ZINC000027655774 ED Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1/C(=N/O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000027656525 ED Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1/C(=N/O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000027656527 ED Annotated Mild CN(C)c1ccc(CN2CCN(c3n[nH]c(N)n3)CC2)c(Cl)c1 ZINC000027704333 ED Annotated Clean CCOCCOC(=O)C(=O)Nc1nc(-c2cc(C)on2)cs1 ZINC000027709158 ED Annotated Anodyne COc1cc(Br)c(OC)c(C(=O)N2CCNCC2)c1 ZINC000027716793 ED Annotated Anodyne COc1cc(C[C@@]2(C(=O)O)NCCc3cc(O)c(O)cc32)ccc1O ZINC000027721939 ED Annotated Clean COc1cc(C[C@]2(C(=O)O)NCCc3cc(O)c(O)cc32)ccc1O ZINC000027721945 ED Annotated Clean O=C(O)[C@@]1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc21 ZINC000027722899 ED Annotated Clean O=C(O)[C@]1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc21 ZINC000027722904 ED Annotated Clean CCC[C@@H](NCC(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)O ZINC000027724882 ED Annotated Anodyne CCC[C@H](NCC(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)O ZINC000027724889 ED Annotated Anodyne CCC[C@@H](NCC(=O)N1[C@H]2CCCC[C@@H]2C[C@@H]1C(=O)O)C(=O)O ZINC000027724892 ED Annotated Anodyne CCC[C@H](NCC(=O)N1[C@H]2CCCC[C@@H]2C[C@@H]1C(=O)O)C(=O)O ZINC000027724900 ED Annotated Anodyne CN1CCN(c2nc(O)c(C#N)c(-c3ccc(N(C)C)cc3)n2)CC1 ZINC000027725647 ED Annotated Mild N#Cc1c(-c2ccc(F)cc2)[nH]c(NCCN2CCOCC2)nc1=O ZINC000027730757 ED Annotated Mild Nc1nc(O)c(N=O)c(NCCCNc2ccc(C(=O)O)cc2)n1 ZINC000027738516 ED Annotated Anodyne Nc1nc(O)c(N=O)c(NCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000027738955 ED Annotated Bother CN1C(C(=O)Nc2ncccn2)=C(O)c2sccc2S1(=O)=O ZINC000027742050 ED Annotated Anodyne Nc1nc2c(cc1Cl)nc(C(F)(F)F)n2CCC(CO)CO ZINC000027745015 ED Annotated Anodyne Cc1c(C)[n+](C)c(C)n1CC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000027754435 ED Annotated Anodyne C[n+]1ccn(CC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1 ZINC000027756147 ED Annotated Anodyne Cc1c(C)[n+](C)c(C)n1C[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 ZINC000027757030 ED Annotated Anodyne Cc1c(C)[n+](C)c(C)n1C[C@H](O)c1ccc(NS(C)(=O)=O)cc1 ZINC000027757038 ED Annotated Anodyne CCOC(=O)C[C@@H](c1nnn[nH]1)c1c[nH]c2cc(OC)c(OC)cc12 ZINC000027766119 ED Annotated Anodyne CCOC(=O)C[C@H](c1nnn[nH]1)c1c[nH]c2cc(OC)c(OC)cc12 ZINC000027766126 ED Annotated Anodyne [N-]=[N+]=NC[C@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000027845940 ED Annotated Clean [N-]=[N+]=NC[C@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O ZINC000027845949 ED Annotated Clean [N-]=[N+]=NC[C@@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000027845957 ED Annotated Clean [N-]=[N+]=NC[C@@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O ZINC000027845964 ED Annotated Clean CN(CC#CCN1CCCC1)C(=O)CCCNC(=O)OC(C)(C)C ZINC000027848120 ED Annotated Mild CCN(CC)CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000027859209 ED Annotated Anodyne CSc1ccc2nc3cc(C(=O)Nc4nnn[nH]4)nn3c(O)c2c1 ZINC000027860053 ED Annotated Anodyne C[N+]1(CCO[P@](=O)(O)OCCOc2ccccc2)CCOCC1 ZINC000027861409 ED Annotated Bother CN(C)CCNC(=O)c1cccc2nc3ccc4c[nH]nc4c3nc12 ZINC000027864014 ED Annotated Bother CCc1cc(C(=O)c2ccccc2)c(NC(=O)CNC(=O)CN)s1 ZINC000027864837 ED Annotated Anodyne CCCCn1c2nc(=O)[nH]c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2 ZINC000027866846 ED Annotated Clean O=C(Nc1nnn[nH]1)c1cc2nc3ccc(Cl)cc3c(O)n2n1 ZINC000027867022 ED Annotated Anodyne c1ccc2c(c1)OCc1ncccc1[C@H]2NCCN1CCOCC1 ZINC000027869907 ED Annotated Anodyne c1ccc2c(c1)OCc1ncccc1[C@@H]2NCCN1CCOCC1 ZINC000027869916 ED Annotated Anodyne O=C1NC(=O)[C@@H](c2ccccc2NS(=O)(=O)c2ccccc2)O1 ZINC000027875194 ED Annotated Anodyne O=C1NC(=O)[C@H](c2ccccc2NS(=O)(=O)c2ccccc2)O1 ZINC000027875202 ED Annotated Anodyne CCCS(=O)(=O)N1N=C(OS(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000027882459 ED Annotated Mild CCCS(=O)(=O)N1N=C(OS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000027882466 ED Annotated Mild CC(C)NC(=O)N1N=C(OS(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000027883258 ED Annotated Mild CC(C)NC(=O)N1N=C(OS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000027883266 ED Annotated Mild O=C1c2cccc(Br)c2C(=O)N1CCCn1cncn1 ZINC000027892621 ED Annotated Anodyne Cc1nn2c(N)nc(Sc3cccc(C(=O)O)c3)nc2c1C#N ZINC000027895011 ED Annotated Mild CS(=O)(=O)Nc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1 ZINC000027895130 ED Annotated Anodyne CC(=O)OCC(COC(C)=O)O[C@@]1(C)OC(=O)c2ccccc2O1 ZINC000027897324 ED Annotated Anodyne CC(=O)OCC(COC(C)=O)O[C@]1(C)OC(=O)c2ccccc2O1 ZINC000027897330 ED Annotated Anodyne CO[C@@H]1O[C@@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1O ZINC000027977457 ED Annotated Reactive CO[C@H]1O[C@@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1O ZINC000027977464 ED Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1O ZINC000027977467 ED Annotated Reactive CO[C@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1O ZINC000027977474 ED Annotated Reactive COC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21 ZINC000027979881 ED Annotated Anodyne O=C1C(COCCBr)=CS(=O)(=O)c2ccccc21 ZINC000027981762 ED Annotated Reactive Cc1sc2nc3ccc(C(=O)Nc4nnn[nH]4)cn3c(=O)c2c1C ZINC000027985897 ED Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)NC(=S)NC2=O)cc1 ZINC000027989561 ED Annotated Anodyne CC(=O)NCc1ccc(CN2CCN(c3nccn3C)CC2)cc1 ZINC000027991734 ED Annotated Anodyne O=C1COC2(CCN(CC[C@@H]3COc4ccccc4O3)CC2)CN1 ZINC000027996772 ED Annotated Anodyne O=C1COC2(CCN(CC[C@H]3COc4ccccc4O3)CC2)CN1 ZINC000027996777 ED Annotated Anodyne Cc1ccccc1C(=O)c1cccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000028002403 ED Annotated Anodyne O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1Cc1ccccc1[N+](=O)[O-] ZINC000028003600 ED Annotated Bother O=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1ccccc1[N+](=O)[O-] ZINC000028003604 ED Annotated Bother COC1=CC(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3OC(C)=O)C1=O ZINC000028004058 ED Annotated Mild COC1=CC(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3OC(C)=O)C1=O ZINC000028004063 ED Annotated Mild CCCN1CCN(CCCN2CCc3c(C)nc4ncnn4c32)CC1 ZINC000028006814 ED Annotated Anodyne CC1(C)C[C@@](C)(C(N)=O)c2c1c(CO)n(-c1ccccc1)c2CO ZINC000028006940 ED Annotated Anodyne CC1(C)C[C@](C)(C(N)=O)c2c1c(CO)n(-c1ccccc1)c2CO ZINC000028006943 ED Annotated Anodyne COCC/N=C(/N)Nc1nnc(-c2ccc(OC)c(OC)c2)s1 ZINC000028008164 ED Annotated Mild O=S(=O)(Nc1ccccc1)NS(=O)(=O)Nc1ccccc1 ZINC000028009116 ED Annotated Anodyne Cc1nc2ncnn2c2c1CCN2CCCOC(=O)c1cccnc1 ZINC000028010964 ED Annotated Anodyne C[C@H]1C(SCc2ccccn2)=C(C(=O)O)N2C(=O)[C@H](/C=C/CO)[C@@H]12 ZINC000028014913 ED Annotated Anodyne COc1ccn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)n1 ZINC000028017951 ED Annotated Anodyne Cn1ncc2cc(S(N)(=O)=O)c(Sc3ccccc3)cc2c1=O ZINC000028019452 ED Annotated Anodyne NS(=O)(=O)c1cc2c(cc1Cl)CNN(Cc1ccco1)C2=O ZINC000028021465 ED Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ccccn1)=C2O ZINC000028022653 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(CO)c3)c(F)c2)C(=O)O1 ZINC000028086678 ED Annotated Anodyne Cc1coc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1 ZINC000028087647 ED Annotated Anodyne NS(=O)(=O)c1cc2c(=O)[nH]ncc2cc1Sc1ccccc1 ZINC000028088592 ED Annotated Anodyne CN(C)CCC(=O)NCc1ccc2c(n1)N(C)c1ncccc1N2C ZINC000028089322 ED Annotated Anodyne CCN(CC)CC#CCN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000028089599 ED Annotated Mild CCN(CC)CC#CCN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000028089606 ED Annotated Mild C#Cc1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 ZINC000028091330 ED Annotated Mild O=c1[nH]/c(=C\c2c[nH]c3ccccc23)c(=O)[nH]/c1=C\c1cccs1 ZINC000028091358 ED Annotated Anodyne CN1C(C(=O)Nc2ccccn2)=C(O)c2ccc(F)cc2S1(=O)=O ZINC000028091399 ED Annotated Anodyne CC[C@@H](C)[C@H](N)C(=O)OCCN(O)C(=O)c1ccc(OC)c(O)c1 ZINC000028094858 ED Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OCCN(O)C(=O)c1ccc(OC)c(O)c1 ZINC000028094864 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C#N)n3)c(F)c2)C(=O)O1 ZINC000028095977 ED Annotated Mild CN1C(C(=O)Nc2ccccn2)=C(O)c2cc(F)ccc2S1(=O)=O ZINC000028096304 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C)n3)c(F)c2)C(=O)O1 ZINC000028099141 ED Annotated Anodyne COCCc1c(C(=O)OC)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000028100791 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C)n3)c(F)c2)C(=O)O1 ZINC000028100985 ED Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3cccnc3)[C@H](C)[C@H]12 ZINC000028103948 ED Annotated Anodyne C[C@H]1C(=O)N=C(O)N(COCCO)[C@@H]1Sc1cccc(O)c1 ZINC000028104822 ED Annotated Anodyne C[C@@H]1C(=O)N=C(O)N(COCCO)[C@@H]1Sc1cccc(O)c1 ZINC000028104827 ED Annotated Anodyne C[C@H]1C(=O)N=C(O)N(COCCO)[C@H]1Sc1cccc(O)c1 ZINC000028104833 ED Annotated Anodyne C[C@@H]1C(=O)N=C(O)N(COCCO)[C@H]1Sc1cccc(O)c1 ZINC000028104837 ED Annotated Anodyne COC(=O)c1c(Cc2ccccc2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000028104890 ED Annotated Anodyne C=CCc1c(C(=O)OC)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000028109435 ED Annotated Mild NNC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000028112338 ED Annotated Reactive NC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000028116685 ED Annotated Anodyne CCOC(=O)CC(=O)Nc1scnc1C(=O)Nc1nccs1 ZINC000028119365 ED Annotated Anodyne CC(C)(C)C(=O)OCOC(=O)CCC(=O)OCOC(=O)C(C)(C)C ZINC000028121215 ED Annotated Anodyne NC(=O)c1nn(-c2ccc(C3=NCC=N3)cc2)c2c1ccc1[nH]ncc12 ZINC000028122269 ED Annotated Anodyne CCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028125067 ED Annotated Mild CCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028125073 ED Annotated Mild CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000028125741 ED Annotated Mild CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000028125746 ED Annotated Mild CCCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028125877 ED Annotated Mild CCCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028125884 ED Annotated Mild O=C(O)[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000028133295 ED Annotated Anodyne Nc1nn2c(O)cc(CNNc3ccc(F)cc3)nc2c1[N+](=O)[O-] ZINC000028136918 ED Annotated Bother Cn1c(N)nc2c1C(=O)N1CCN=C1N2Cc1ccc(Cl)cc1 ZINC000028221548 ED Annotated Anodyne N#Cc1ccc(/N=c2\c(O)c(O)\c2=N/[C@@H](CO)c2ccccc2)cc1 ZINC000028223115 ED Annotated Mild NS(=O)(=O)c1nn2cc(C34CC5CC(CC(C5)C3)C4)nc2s1 ZINC000028224138 ED Annotated Anodyne CCCCNS(=O)(=O)c1ccc(Cl)cc1[C@@H]1NC(=O)NC1=O ZINC000028225631 ED Annotated Anodyne CCCCNS(=O)(=O)c1ccc(Cl)cc1[C@H]1NC(=O)NC1=O ZINC000028225634 ED Annotated Anodyne O=C(NO)[C@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)N1 ZINC000028225754 ED Annotated Bother Cc1c(F)c(N2C[C@H](N)[C@H]2C)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000028226530 ED Annotated Anodyne O=C1O[C@@H](n2c(=O)c(F)cn([C@@H]3CCCO3)c2=O)c2ccccc21 ZINC000028231638 ED Annotated Anodyne O=C1O[C@@H](n2c(=O)c(F)cn([C@H]3CCCO3)c2=O)c2ccccc21 ZINC000028231643 ED Annotated Anodyne O=C1O[C@H](n2c(=O)c(F)cn([C@@H]3CCCO3)c2=O)c2ccccc21 ZINC000028231648 ED Annotated Anodyne O=C1O[C@H](n2c(=O)c(F)cn([C@H]3CCCO3)c2=O)c2ccccc21 ZINC000028231652 ED Annotated Anodyne CC[C@@H](C)[C@@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl ZINC000028232973 ED Annotated Reactive CC[C@H](C)[C@@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl ZINC000028232978 ED Annotated Reactive CC[C@@H](C)[C@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl ZINC000028232983 ED Annotated Reactive CC[C@H](C)[C@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl ZINC000028232988 ED Annotated Reactive CSCC[C@@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl ZINC000028234311 ED Annotated Reactive CSCC[C@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl ZINC000028234316 ED Annotated Reactive Cc1cnc(-c2cccc([N+](=O)[O-])c2)n2nc(N3CCOCC3)nc12 ZINC000028243271 ED Annotated Bother C[C@H]1c2cc(OC(=O)N(C)C)ccc2N[C@@H]1[n+]1cccc(C(N)=O)c1 ZINC000028253723 ED Annotated Anodyne C[C@@H]1c2cc(OC(=O)N(C)C)ccc2N[C@@H]1[n+]1cccc(C(N)=O)c1 ZINC000028253730 ED Annotated Anodyne C[C@H]1c2cc(OC(=O)N(C)C)ccc2N[C@H]1[n+]1cccc(C(N)=O)c1 ZINC000028253736 ED Annotated Anodyne C[C@@H]1c2cc(OC(=O)N(C)C)ccc2N[C@H]1[n+]1cccc(C(N)=O)c1 ZINC000028253742 ED Annotated Anodyne Cn1c2ccc(Cl)cc2c2oc(C(=O)Nc3nnn[nH]3)cc(=O)c21 ZINC000028255899 ED Annotated Anodyne CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000028331413 ED Annotated Bother CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000028331419 ED Annotated Bother O=C(O)C[C@H](c1cnc[nH]1)N(CCc1cccs1)Cc1nc[nH]n1 ZINC000028337237 ED Annotated Anodyne O=C(O)C[C@@H](c1cnc[nH]1)N(CCc1cccs1)Cc1nc[nH]n1 ZINC000028337242 ED Annotated Anodyne COc1ccc(NNCc2cc(O)n3nc(N)c([N+](=O)[O-])c3n2)cc1 ZINC000028347653 ED Annotated Bother CC[C@H](O)c1c(C/C=C/CO)cc2c(c1OC)C(=O)C=C(NC)C2=O ZINC000028358130 ED Annotated Mild O=c1c2sccc2n(C[C@@H]2COc3ccccc3O2)c(=O)n1O ZINC000028362665 ED Annotated Anodyne O=c1c2sccc2n(C[C@H]2COc3ccccc3O2)c(=O)n1O ZINC000028362671 ED Annotated Anodyne O=C(O)c1cccc2c1OC(=O)[C@H](C(=O)NCc1ccccc1)C2 ZINC000028383926 ED Annotated Anodyne O=C(O)c1cccc2c1OC(=O)[C@@H](C(=O)NCc1ccccc1)C2 ZINC000028383932 ED Annotated Anodyne O=C(O)c1ccc2c(c1)OC(=O)[C@H](C(=O)NCc1ccccc1)C2 ZINC000028384452 ED Annotated Anodyne O=C(O)c1ccc2c(c1)OC(=O)[C@@H](C(=O)NCc1ccccc1)C2 ZINC000028384458 ED Annotated Anodyne COc1cc(CCN/C(N)=N/c2nc(C)cc(C)n2)cc(OC)c1 ZINC000028390759 ED Annotated Mild Cn1cncc1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 ZINC000028394883 ED Annotated Anodyne N/C(=N/O)[C@H]1c2cccc3c2N(CCNC3=O)[C@@H]1c1ccc(F)cc1 ZINC000028456955 ED Annotated Mild N/C(=N/O)[C@@H]1c2cccc3c2N(CCNC3=O)[C@@H]1c1ccc(F)cc1 ZINC000028456957 ED Annotated Mild N/C(=N/O)[C@H]1c2cccc3c2N(CCNC3=O)[C@H]1c1ccc(F)cc1 ZINC000028456959 ED Annotated Mild N/C(=N/O)[C@@H]1c2cccc3c2N(CCNC3=O)[C@H]1c1ccc(F)cc1 ZINC000028456962 ED Annotated Mild O=C1C[C@@H](CCN2CCC3(CC2)NCNC3=O)Cc2ccccc21 ZINC000028460336 ED Annotated Anodyne O=C1C[C@H](CCN2CCC3(CC2)NCNC3=O)Cc2ccccc21 ZINC000028460339 ED Annotated Anodyne O=C(Cc1csc(NC(=O)COc2ccc(Cl)cc2)n1)NO ZINC000028462069 ED Annotated Bother Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccccc2O)s1 ZINC000028462144 ED Annotated Mild CC(=O)NCn1cc(-c2ccc(C3=CC[S@@](=O)CC3)cc2)c(=O)o1 ZINC000028466734 ED Annotated Anodyne CC(=O)NCn1cc(-c2ccc(C3=CC[S@](=O)CC3)cc2)c(=O)o1 ZINC000028466738 ED Annotated Anodyne O[C@@H]1C=C[C@@H](NCc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@@H]1O ZINC000028468203 ED Annotated Anodyne O[C@H]1C=C[C@@H](NCc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@@H]1O ZINC000028468207 ED Annotated Anodyne O[C@@H]1C=C[C@H](NCc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@@H]1O ZINC000028468209 ED Annotated Anodyne O[C@H]1C=C[C@H](NCc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@@H]1O ZINC000028468212 ED Annotated Anodyne CN1CCN(CC/N=C(\N)c2sccc2Br)CC1 ZINC000028469193 ED Annotated Mild CONC(=N)Nc1ccc2c(c1)Cc1cc(/N=C(\N)NOC)ccc1-2 ZINC000028473939 ED Annotated Mild O=C1c2ccccc2C(=O)c2c1n[nH]c2C(=O)NNc1ccccc1 ZINC000028474089 ED Annotated Reactive COc1ccc(OC)c(-c2nc3sccn3c2/C=N/N=C(N)N)c1 ZINC000028474727 ED Annotated Mild COc1ccc(-c2nc3sccn3c2/C=N/N=C(N)N)cc1OC ZINC000028475766 ED Annotated Mild CN1C(=O)[C@@H](CC(=O)O)S/C1=N\N=C\c1cccc([N+](=O)[O-])c1 ZINC000028523139 ED Annotated Mild CN1C(=O)[C@H](CC(=O)O)S/C1=N\N=C\c1cccc([N+](=O)[O-])c1 ZINC000028523140 ED Annotated Mild CN1C(=O)[C@@H](CC(=O)O)S/C1=N\N=C\c1ccc([N+](=O)[O-])cc1 ZINC000028523303 ED Annotated Mild CN1C(=O)[C@H](CC(=O)O)S/C1=N\N=C\c1ccc([N+](=O)[O-])cc1 ZINC000028523304 ED Annotated Mild CN1C(=O)[C@@H](CC(=O)O)S/C1=N\N=C\c1ccccc1[N+](=O)[O-] ZINC000028523314 ED Annotated Mild CN1C(=O)[C@H](CC(=O)O)S/C1=N\N=C\c1ccccc1[N+](=O)[O-] ZINC000028523315 ED Annotated Mild CC(=O)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 ZINC000028523404 ED Annotated Bother COC(=O)Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(C)co1 ZINC000028524059 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3O[C@@H]4C=C[C@H]3CC4)cc2)C(=O)O1 ZINC000028524205 ED Annotated Anodyne COc1cc2ccnc3c2c(c1OC)CO[C@@]3(C[C@@H](O)CO)OC ZINC000028524580 ED Annotated Anodyne COc1cc2ccnc3c2c(c1OC)CO[C@]3(C[C@@H](O)CO)OC ZINC000028524581 ED Annotated Anodyne COc1cc2ccnc3c2c(c1OC)CO[C@@]3(C[C@H](O)CO)OC ZINC000028524582 ED Annotated Anodyne COc1cc2ccnc3c2c(c1OC)CO[C@]3(C[C@H](O)CO)OC ZINC000028524583 ED Annotated Anodyne Cc1coc(NS(=O)(=O)c2cccc(Cl)c2CC(=O)O)n1 ZINC000028524717 ED Annotated Anodyne O=S1(=O)C=Cc2ccc(S(=O)(=O)NCc3ccccc3)cc21 ZINC000028524810 ED Annotated Anodyne O=C1[C@@H]2Cc3ccc(O)cc3CN2C(=O)N1CCN1CCCCC1 ZINC000028525010 ED Annotated Anodyne CN1C(=O)[C@@H]2N[C@H](/C=C/c3cccc(Cl)c3)N(C)[C@H]2N(C)C1=O ZINC000028526343 ED Annotated Anodyne CN1C(=O)[C@@H]2N[C@@H](/C=C/c3cccc(Cl)c3)N(C)[C@H]2N(C)C1=O ZINC000028526344 ED Annotated Anodyne CCN(C[C@H](c1ccccc1F)N1CCN(C)CC1)S(C)(=O)=O ZINC000028528718 ED Annotated Anodyne CCN(C[C@@H](c1ccccc1F)N1CCN(C)CC1)S(C)(=O)=O ZINC000028528719 ED Annotated Anodyne Cc1cc(O)c2c(c1)C[C@@H](O)C1=C2C(=O)c2c(O)ccc(O)c2C1=O ZINC000028541524 ED Annotated Mild COc1cc(C)nc(NC(=S)NC(=O)c2ccc(Cl)nc2)n1 ZINC000028566200 ED Annotated Anodyne COCCN1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1 ZINC000028570140 ED Annotated Mild CCOC(=O)[C@@H](C)[S@@](=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028570479 ED Annotated Bother CCOC(=O)[C@H](C)[S@@](=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028570480 ED Annotated Bother CCOC(=O)[C@@H](C)[S@](=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028570481 ED Annotated Bother CCOC(=O)[C@H](C)[S@](=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028570482 ED Annotated Bother CCOC(=O)[C@@H](C)Sc1nnc(-c2ncc([N+](=O)[O-])n2C)s1 ZINC000028570558 ED Annotated Bother CCOC(=O)[C@H](C)Sc1nnc(-c2ncc([N+](=O)[O-])n2C)s1 ZINC000028570559 ED Annotated Bother CC(=O)N1CCN(c2nccc(Nc3ncc(C#N)s3)n2)CC1 ZINC000028570677 ED Annotated Mild CC(=O)N1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1 ZINC000028570680 ED Annotated Mild CON(C)C(=O)[C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000028572410 ED Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@]3(C)CO3)=C/C[C@H]12 ZINC000028572437 ED Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@]3(C)CO3)=C/C[C@H]12 ZINC000028572438 ED Annotated Mild NC(=O)c1ccc[n+](CCCCCC[n+]2ccc(/C=N/O)cc2)c1 ZINC000028572739 ED Annotated Mild NC(=O)c1cc[n+](CCCCCCC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000028572753 ED Annotated Mild NC(=O)c1ccc[n+](CCCCCCC[n+]2ccc(/C=N/O)cc2)c1 ZINC000028572767 ED Annotated Mild O=c1[nH]c(=O)n(C[C@@H]2C[C@H](O)c3ccccc32)cc1Br ZINC000028635909 ED Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H](COC(=O)CC)[C@]1(O)CCC(=O)[C@@]21C ZINC000028637163 ED Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)CC)[C@]1(O)CCC(=O)[C@@]21C ZINC000028637166 ED Annotated Mild CC(C)CN1CCN(C(=O)c2cc(=O)c3c(O)cccc3o2)CC1 ZINC000028639106 ED Annotated Anodyne O=C1O/C(=C\Cn2cc(-c3cccs3)c(=O)[nH]c2=O)C(O)=C1O ZINC000028643057 ED Annotated Anodyne CN1CCN(c2cc(O)c3nc4ccc(=[N+](C)C)cc-4oc3c2)CC1 ZINC000028643301 ED Annotated Bother OC[C@H]1[C@@H](c2ccc(O)c(O)c2)OC[C@@H]1[C@H](O)c1ccc(O)c(O)c1 ZINC000028643767 ED Annotated Clean in-vivo CC(C)/C=C1\NC(=O)[C@H](CCC(N)=O)n2c1nc1ccccc1c2=O ZINC000028644549 ED Annotated Anodyne Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12 ZINC000028644691 ED Annotated Anodyne Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)CC(=O)C(=O)O ZINC000028645825 ED Annotated Bother CN1C(=O)[C@H]2[C@@H](c3cccc(Br)c3)N(C)O[C@H]2C1=O ZINC000028647544 ED Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](ON(C)[C@H]2c2cccc(Br)c2)C1=O ZINC000028647547 ED Annotated Anodyne CN1C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)N(C)O[C@H]2C1=O ZINC000028647562 ED Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](ON(C)[C@H]2c2ccc(Br)cc2)C1=O ZINC000028647572 ED Annotated Anodyne CSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647635 ED Annotated Anodyne COc1cc(-c2nnc(S(C)(=O)=O)s2)cc(OC)c1OC ZINC000028648990 ED Annotated Anodyne C=CCS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000028648993 ED Annotated Mild CCCS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000028649008 ED Annotated Anodyne [O-][n+]1nc2c(Cl)cnn2c2cc(I)ccc21 ZINC000028649480 ED Annotated Anodyne Cc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649515 ED Annotated Anodyne COc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649536 ED Annotated Anodyne O=C1C(O)=C(c2cc(OCc3ccc(F)cc3)ncn2)CN1CCO ZINC000028649607 ED Annotated Anodyne O=C(C1=C(O)C(=O)N(CCO)C1)c1ccc(Cc2ccc(F)cc2)o1 ZINC000028649650 ED Annotated Mild C=C1C(=O)[C@]23[C@H](O)[C@@H](O)[C@H]1C[C@H]2[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000028651460 ED Annotated Mild CNC(=S)N/N=C1\C(=O)N(CN2CCCCC2)c2ccc(F)cc21 ZINC000028651467 ED Annotated Mild Cn1c2nc(N3CCOCC3)nc(=O)c-2cc2cc(Cl)ccc21 ZINC000028651834 ED Annotated Bother COc1ccc2c(c1)cc1c(=O)nc(N3CCN(C)CC3)nc-1n2C ZINC000028651864 ED Annotated Bother COC1=C(Br)C(=O)[C@@]2(CO2)C(OC)=C1Br ZINC000028652066 ED Annotated Mild C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@@H](O)O2 ZINC000028652536 ED Annotated Clean in-vitro C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@H](O)O2 ZINC000028652540 ED Annotated Clean in-vitro C#CCNc1nc(SC)nc(CCO)c1I ZINC000028653473 ED Annotated Mild O=C1N=C(O)[C@H]2[C@H]1[C@H]1C=C([C@](O)(c3ccccc3)c3ccccn3)[C@@H]2O1 ZINC000028655140 ED Annotated Anodyne O=C1N=C(O)[C@H]2[C@H]1[C@H]1C=C([C@@](O)(c3ccccc3)c3ccccn3)[C@@H]2O1 ZINC000028655142 ED Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C[C@@H]2C=C1[C@](O)(c1ccccc1)c1ccccn1 ZINC000028655156 ED Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C[C@@H]2C=C1[C@@](O)(c1ccccc1)c1ccccn1 ZINC000028655159 ED Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C=C([C@](O)(c3ccccc3)c3ccccn3)[C@@H]2C1 ZINC000028655160 ED Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C=C([C@@](O)(c3ccccc3)c3ccccn3)[C@@H]2C1 ZINC000028655164 ED Annotated Anodyne O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3ccno3)c(=O)c12 ZINC000028655983 ED Annotated Bother CCN1CNS(=O)(=O)c2cc(I)ccc21 ZINC000028656098 ED Annotated Anodyne CC(C)NC(=O)Nc1c(C(=O)O)cnn1C[C@@H](O)c1ccccc1 ZINC000028702079 ED Annotated Anodyne CC(C)NC(=O)Nc1c(C(=O)O)cnn1C[C@H](O)c1ccccc1 ZINC000028702081 ED Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C)c(OC)n1 ZINC000028702606 ED Annotated Anodyne Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C(F)(F)F ZINC000028704381 ED Annotated Mild S=C(N/N=C/c1cccc(-c2nnn[nH]2)c1)NC1CCCCC1 ZINC000028705935 ED Annotated Mild O=C(O)c1c(/C=N/NC(=S)NC2CCCCC2)ccc(O)c1O ZINC000028705977 ED Annotated Mild CO[C@@H]1O[C@H](CSc2ncnc3nc[nH]c23)[C@H]2OC(C)(C)O[C@H]21 ZINC000028707930 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CC(F)C3)c(F)c2)C(=O)O1 ZINC000028708294 ED Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@@H](N2C=C[C@@H](N)NC2=O)ON1C)OCC ZINC000028708509 ED Annotated Anodyne CCOP(=O)(C[C@H]1C[C@@H](N2C=C[C@@H](N)NC2=O)ON1C)OCC ZINC000028708511 ED Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@H](N2C=C[C@@H](N)NC2=O)ON1C)OCC ZINC000028708513 ED Annotated Anodyne CCOP(=O)(C[C@H]1C[C@H](N2C=C[C@@H](N)NC2=O)ON1C)OCC ZINC000028708515 ED Annotated Anodyne COCOc1cc(O)c2c(=O)cc(C3(O)C=CC(=O)C=C3)oc2c1 ZINC000028710334 ED Annotated Mild Cc1ccc2[nH]c3c4c(=O)ccc(=O)c4c4c(=O)[nH]c(=O)c4c3c2c1 ZINC000028710881 ED Annotated Bother CNc1ccc2c3c(nn2CCNCCO)-c2ccccc2C(=O)c13 ZINC000028757497 ED Annotated Clean Cn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccccc1-2 ZINC000028758055 ED Annotated Clean Cn1nc2c3c(cccc31)C(=O)c1c(NCCNCCO)cccc1-2 ZINC000028758750 ED Annotated Clean CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCC3CC3)n2)o1 ZINC000028759226 ED Annotated Mild C[C@@H]1NC(=O)OC12CCN(C[C@@H](O)[C@@H]1COc3ccccc3O1)CC2 ZINC000028759969 ED Annotated Anodyne C[C@H]1NC(=O)OC12CCN(C[C@@H](O)[C@@H]1COc3ccccc3O1)CC2 ZINC000028759972 ED Annotated Anodyne C[C@@H]1NC(=O)OC12CCN(C[C@H](O)[C@@H]1COc3ccccc3O1)CC2 ZINC000028759973 ED Annotated Anodyne C[C@H]1NC(=O)OC12CCN(C[C@H](O)[C@@H]1COc3ccccc3O1)CC2 ZINC000028759975 ED Annotated Anodyne CN1CC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761954 ED Annotated Anodyne CN1CC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761955 ED Annotated Anodyne CN1CC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761957 ED Annotated Anodyne CN1CC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761959 ED Annotated Anodyne CNP1(NC)=NP(NC)(NC)=NP(NC)(N2CC2)=N1 ZINC000028763342 ED Annotated Anodyne CNP1(NC)=NP(NC)(NC)=NP(N2CC2)(N2CC2)=N1 ZINC000028764114 ED Annotated Anodyne O=c1cnn(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(=O)[nH]1 ZINC000028764214 ED Annotated Bother CC1(C)C[C@H]2[C@@H]3OC(C)(C)O[C@@H]3CC[C@@]2(COS(N)(=O)=O)C1 ZINC000028764934 ED Annotated Anodyne C=CCc1cc(CC(N)=O)ccc1OC[C@H](O)[C@@H](C)NC(C)(C)C ZINC000028768098 ED Annotated Mild C=CCc1cc(CC(N)=O)ccc1OC[C@H](O)[C@H](C)NC(C)(C)C ZINC000028768100 ED Annotated Mild C=CCc1cc(CC(N)=O)ccc1OC[C@@H](O)[C@@H](C)NC(C)(C)C ZINC000028768102 ED Annotated Mild C=CCc1cc(CC(N)=O)ccc1OC[C@@H](O)[C@H](C)NC(C)(C)C ZINC000028768104 ED Annotated Mild O=C(O)C1=C[C@@H](C2CC2)c2nc(N3CC/C(=N\O)C3)c(F)cc2C1=O ZINC000028771254 ED Annotated Mild O=C1C(=O)N(CN2CCOCC2)c2cccc(Br)c21 ZINC000028794222 ED Annotated Anodyne N#CC1(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCCC2)CC1 ZINC000028817631 ED Annotated Mild COC(=O)[C@@H](CCSC)NC(=O)COc1ccc(C=O)cc1 ZINC000028821196 ED Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)COc1ccc(C=O)cc1 ZINC000028821197 ED Annotated Anodyne Cc1noc(CCc2c3c(c(C[C@@H](C)N)c4c2OCC4)OCC3)n1 ZINC000028821729 ED Annotated Anodyne O=C1c2c(O)c(O)cc(=O)n2CCN1Cc1ccc(F)c(Cl)c1 ZINC000028825273 ED Annotated Anodyne NC(=O)[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1 ZINC000028825355 ED Annotated Anodyne Cn1ncc(C=C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1=O ZINC000028825825 ED Annotated Anodyne CN1CCc2c(c(O)c3n2CCN(Cc2ccc(F)cc2)C3=O)C1=O ZINC000028826624 ED Annotated Anodyne CN1CCn2c3c(c(O)c2C1=O)C(=O)N(Cc1ccc(F)cc1)CC3 ZINC000028826625 ED Annotated Anodyne Cc1cc(NC(=O)CCl)sc1-c1nnc2n1NC(=O)CS2 ZINC000028826927 ED Annotated Reactive CN1C=C(S(=O)(=O)n2cc(CCN)c3ccccc32)S[C@@H]1N ZINC000028861842 ED Annotated Anodyne CN1C=C(S(=O)(=O)n2cc(CCN)c3ccccc32)S[C@H]1N ZINC000028861844 ED Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3cccc([C@@H]4CC=CO4)c3C2=O)C(=O)N1 ZINC000028862613 ED Annotated Anodyne O=C1CC[C@H](N2C(=O)c3cccc([C@@H]4CC=CO4)c3C2=O)C(=O)N1 ZINC000028862615 ED Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3cccc([C@H]4CC=CO4)c3C2=O)C(=O)N1 ZINC000028862616 ED Annotated Anodyne O=C1CC[C@H](N2C(=O)c3cccc([C@H]4CC=CO4)c3C2=O)C(=O)N1 ZINC000028862618 ED Annotated Anodyne CCOCn1c(C)c(CNc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O ZINC000028866791 ED Annotated Bother CCOCn1c(C)c(CNc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O ZINC000028866794 ED Annotated Bother CCN(CC)CCNc1n[n+](=O)c2ccc(C(C)(C)C)cc2n1O ZINC000028867126 ED Annotated Anodyne COc1ccc2c(c1)n(O)c(NCCN1[C@@H](C)CCC[C@@H]1C)n[n+]2=O ZINC000028867265 ED Annotated Anodyne COc1ccc2c(c1)n(O)c(NCCN1[C@@H](C)CCC[C@H]1C)n[n+]2=O ZINC000028867269 ED Annotated Anodyne COc1ccc2c(c1)n(O)c(NCCN1[C@H](C)CCC[C@H]1C)n[n+]2=O ZINC000028867272 ED Annotated Anodyne CCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@@H]1F ZINC000028868131 ED Annotated Mild CCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@@H]1F ZINC000028868135 ED Annotated Mild CCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@H]1F ZINC000028868138 ED Annotated Mild CCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@H]1F ZINC000028868140 ED Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNC3CC3)[C@@H]2F)C1=O ZINC000028868164 ED Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNC3CC3)[C@@H]2F)C1=O ZINC000028868168 ED Annotated Mild CCOC(=O)C[C@@H]1NN=C2N(CCN2c2cccc(Cl)c2)C1=O ZINC000028869692 ED Annotated Anodyne CCOC(=O)C[C@H]1NN=C2N(CCN2c2cccc(Cl)c2)C1=O ZINC000028869694 ED Annotated Anodyne CCOC(=O)C[C@@H]1NN=C2N(CCN2c2ccc(Cl)cc2)C1=O ZINC000028869697 ED Annotated Anodyne CCOC(=O)C[C@H]1NN=C2N(CCN2c2ccc(Cl)cc2)C1=O ZINC000028869701 ED Annotated Anodyne C[N+]1(C)C[C@H](OC(=O)c2cc(Br)c[nH]2)C[C@@H]1C(=O)O ZINC000028870101 ED Annotated Mild CCOC(=O)c1cc[n+](C/C=C/C[n+]2ccc(/C=N\O)cc2)cc1 ZINC000028872310 ED Annotated Mild O=C(O)CSc1cc[n+](C/C=C/C[n+]2ccc(/C=N\O)cc2)cc1 ZINC000028872320 ED Annotated Mild COc1ccc(-c2c(C#N)c(N)nc(N3CCOCC3)c2C#N)cc1 ZINC000028875494 ED Annotated Mild C/C=C/C(=O)OCC1=C[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]2CC1=O ZINC000028891983 ED Annotated Mild CN(C)CCNC(=O)c1cc2c(s1)C(=O)c1sccc1C2=O ZINC000028892021 ED Annotated Clean CCn1cc(C(=O)OCN(C)C(=O)OC)c(=O)c2ccc(C)nc21 ZINC000028903633 ED Annotated Anodyne CCN(CCOC(=O)c1ccccc1OC(C)=O)CCO[N+](=O)[O-] ZINC000028948285 ED Annotated Anodyne CN1C(N/N=C\c2ccc([N+](=O)[O-])o2)=NS(=O)(=O)c2ccccc21 ZINC000028951248 ED Annotated Mild C=CCCCCCCCCCO[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O ZINC000028951442 ED Annotated Mild C=CCCCCCCCCCO[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O ZINC000028951444 ED Annotated Mild C=CCCCCCCCCCO[C@H](CO)[C@H]1O[C@@H](O)[C@H](O)[C@H]1O ZINC000028951450 ED Annotated Mild C=CCCCCCCCCCO[C@H](CO)[C@H]1O[C@H](O)[C@H](O)[C@H]1O ZINC000028951452 ED Annotated Mild C=CCCCCCCCCCOC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000028951454 ED Annotated Mild C=CCCCCCCCCCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000028951456 ED Annotated Mild C=CCNC(=O)[C@H](N(CC=C)C(=O)c1cccnc1)C(F)(F)F ZINC000028953083 ED Annotated Mild C=CCNC(=O)[C@@H](N(CC=C)C(=O)c1cccnc1)C(F)(F)F ZINC000028953085 ED Annotated Mild C=CCNC(=O)[C@H](N(C(=O)c1cccnc1)C1CC1)C(F)(F)F ZINC000028953139 ED Annotated Mild C=CCNC(=O)[C@@H](N(C(=O)c1cccnc1)C1CC1)C(F)(F)F ZINC000028953141 ED Annotated Mild N[C@H]1CN(C(=O)c2cc3ccccc3cn2)C[C@H]1C(=O)N1CCCC1 ZINC000028954931 ED Annotated Anodyne N[C@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H]1C(=O)N1CCCC1 ZINC000028954937 ED Annotated Anodyne Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2cc(C#N)ccc21 ZINC000028955000 ED Annotated Mild C[C@H](c1ccc([N+](=O)[O-])cc1)N1C[C@H](N)[C@H](C(=O)N2CCCC2)C1 ZINC000028955065 ED Annotated Bother C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C[C@H](N)[C@H](C(=O)N2CCCC2)C1 ZINC000028955067 ED Annotated Bother CC(=O)Nc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)cc1 ZINC000028955343 ED Annotated Bother NC(N)=NC(=O)CCCCCCCCCCCCC(=O)N=C(N)N ZINC000028956629 ED Annotated Mild CCn1c(=O)c2c(C)[nH]nc2c2cc3c(cc21)CN(C(=O)CN)CC3 ZINC000028957004 ED Annotated Anodyne COc1ccc2c(c1OC)O/C(=C\c1ncc([N+](=O)[O-])n1C)C2=O ZINC000028958471 ED Annotated Mild O=C(NCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O ZINC000028966875 ED Annotated Clean O=C1c2c(ccc(O)c2O)CN1NS(=O)(=O)c1ccc(F)cc1 ZINC000028966957 ED Annotated Clean O=C1c2c(ccc(O)c2O)CN1N1Cc2ccc(O)c(O)c2C1=O ZINC000028966980 ED Annotated Clean O=C1c2c(ccc(O)c2O)CN1N1C(=O)c2ccc(F)cc2C1=O ZINC000028967028 ED Annotated Clean CC[C@@H](C)C1=CC(=O)[C@H]2[C@H](O)[C@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO ZINC000028969785 ED Annotated Mild C[C@H]1CC2(C[C@@H](C)N1)C(=O)N(CCO)C(=O)N2Cc1ccccc1 ZINC000028971272 ED Annotated Anodyne C=CCO[C@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040244 ED Annotated Mild C=CCO[C@@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040254 ED Annotated Mild O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@]1(CO)CO1)O3 ZINC000029041989 ED Annotated Bother O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@@]1(CO)CO1)O3 ZINC000029041991 ED Annotated Bother O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@H]([C@]1(CO)CO1)O3 ZINC000029041993 ED Annotated Bother O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@H]([C@@]1(CO)CO1)O3 ZINC000029041995 ED Annotated Bother C[C@@H]1CC(=O)C2=C(C1)[C@H]1O[C@H]1[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000029042162 ED Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](CC[C@@H]4[C@@](C)(CO)C[C@@H](O)C[C@]43C)([C@H]1O)[C@@H]2O ZINC000029042271 ED Annotated Mild COC(=O)c1cc(-c2ccc(/C=N/N3CC(=O)NC3=O)o2)ccc1O ZINC000029044118 ED Annotated Mild O=C1CN(/N=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C(=O)N1 ZINC000029044121 ED Annotated Mild C=CCN(CC=C)C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN ZINC000029046760 ED Annotated Mild C#CCN(CC(=C)F)C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN ZINC000029046769 ED Annotated Mild C#CCN(C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN)C1CC1 ZINC000029046889 ED Annotated Mild C#CCN(CC1CC1)C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN ZINC000029046892 ED Annotated Mild CCN(CC1CC1)C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN ZINC000029047203 ED Annotated Anodyne NC(=O)Nc1cn(-c2ccc(-c3ccc(O)cc3)cc2)nc1C(N)=O ZINC000029057033 ED Annotated Anodyne C=CCOc1ccc2c(c1)n1ncc(C(=O)c3ccco3)c1n[n+]2[O-] ZINC000029057963 ED Annotated Mild CCOc1ccc2c(c1)n1ncc(C(=O)c3cccnc3)c1n[n+]2[O-] ZINC000029058611 ED Annotated Anodyne O=C(c1cccnc1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000029058730 ED Annotated Anodyne Cn1ccc(C(=O)c2cnn3c2n[n+]([O-])c2ccc(Cl)cc23)c1 ZINC000029059533 ED Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)c3cccn3C)c1n[n+]2[O-] ZINC000029059543 ED Annotated Anodyne Cn1cccc1C(=O)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000029059556 ED Annotated Anodyne CCN(CC#N)C(=O)[C@@H]1C[C@H](C(=O)NCc2ccccc2)[C@H](C)N1 ZINC000029064013 ED Annotated Mild CCN(CC#N)C(=O)[C@@H]1C[C@H](C(=O)N2Cc3ccccc3C2)[C@H](C)N1 ZINC000029064172 ED Annotated Mild N#CCN1c2ccsc2C(=O)N(Cc2ccccc2)S1(=O)=O ZINC000029123917 ED Annotated Mild COc1cc(C2=NNC(=O)Cc3cc4c(cc32)OCCO4)ccc1N ZINC000029123989 ED Annotated Anodyne COc1cc(C2=NNC(=O)Cc3cc4c(cc32)OCO4)ccc1N ZINC000029124527 ED Annotated Anodyne c1ccc2c(c1)Cc1cc([C@H]3CNCCNCCNCCN3)ccc1-2 ZINC000029126452 ED Annotated Anodyne c1ccc2c(c1)Cc1cc([C@@H]3CNCCNCCNCCN3)ccc1-2 ZINC000029126453 ED Annotated Anodyne C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(C#N)n4nccc34)C(=O)[C@H]12 ZINC000029126789 ED Annotated Mild C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)n4nccc34)C(=O)[C@@H]12 ZINC000029126790 ED Annotated Mild C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3c(N)ccc4nccn34)C(=O)[C@H]12 ZINC000029126834 ED Annotated Anodyne C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3c(N)ccc4nccn34)C(=O)[C@@H]12 ZINC000029126835 ED Annotated Anodyne NCC(=O)NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000029127831 ED Annotated Anodyne NCC(=O)NC[C@H]1C[C@@]1(C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000029127832 ED Annotated Anodyne NCC(=O)NC[C@@H]1C[C@]1(C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000029127833 ED Annotated Anodyne NCC(=O)NC[C@H]1C[C@]1(C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000029127834 ED Annotated Anodyne O=C1c2ccccc2C(=O)N1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000029127882 ED Annotated Bother O=C(Cn1c[n+](CC(=O)c2ccccc2O)cn1)c1ccccc1O ZINC000029129592 ED Annotated Mild COc1cc(OC)cc(-c2nc3sccn3c2/C=N/N=C(N)N)c1 ZINC000029133536 ED Annotated Mild c1cc2c(cc1NC1=NCCN1)Cc1ccc(NC3=NCCN3)cc1C2 ZINC000029133789 ED Annotated Anodyne CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@@H](N2CCOCC2)[C@@H]1O ZINC000029135587 ED Annotated Mild CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H](N2CCOCC2)[C@@H]1O ZINC000029135589 ED Annotated Mild CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@@H](N2CCOCC2)[C@H]1O ZINC000029135590 ED Annotated Mild CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H](N2CCOCC2)[C@H]1O ZINC000029135592 ED Annotated Mild NS(=O)(=O)CCN/C(S)=N\c1c(Cl)cccc1Cl ZINC000029203379 ED Annotated Mild CC(=O)OCCN1N=C(c2ccc(-n3ccnc3)cc2)CCC1=O ZINC000029208311 ED Annotated Anodyne COc1cccc2cccc(S(=O)(=O)[C@@H]3SC(=O)NC3=O)c12 ZINC000029214548 ED Annotated Anodyne COc1cccc2cccc(S(=O)(=O)[C@H]3SC(=O)NC3=O)c12 ZINC000029214553 ED Annotated Anodyne Cc1[nH]cnc1CSCC/N=C(\N)NCCCc1nccs1 ZINC000029214558 ED Annotated Mild O=C1NC(=O)[C@H](S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000029214763 ED Annotated Anodyne O=C1NC(=O)[C@@H](S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000029214768 ED Annotated Anodyne Cc1[nH]cnc1CSCCNC(=S)NCCCc1cnc[nH]1 ZINC000029215305 ED Annotated Clean C[C@@]12CC[C@H](CSc3nnn[nH]3)C[C@]1(C)C[C@@H](C(=O)O)NC2 ZINC000029224206 ED Annotated Anodyne C[C@@]12CC[C@H](CSc3nnn[nH]3)C[C@]1(C)C[C@H](C(=O)O)NC2 ZINC000029224211 ED Annotated Anodyne Cn1ccnc1NC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O ZINC000029230533 ED Annotated Anodyne Cc1[nH]cnc1CSCCNC1=NS(=O)(=O)c2cscc21 ZINC000029244117 ED Annotated Clean Nc1nc(N)c(CCCNc2ccc([N+](=O)[O-])c(F)c2F)c(=O)[nH]1 ZINC000029247703 ED Annotated Bother O=C(C[C@@H]1Sc2ccccc2N(C[C@@H]2CCCCO2)C1=O)NO ZINC000029248025 ED Annotated Bother O=C(C[C@H]1Sc2ccccc2N(C[C@@H]2CCCCO2)C1=O)NO ZINC000029248031 ED Annotated Bother O=C(C[C@@H]1Sc2ccccc2N(C[C@H]2CCCCO2)C1=O)NO ZINC000029248036 ED Annotated Bother O=C(C[C@H]1Sc2ccccc2N(C[C@H]2CCCCO2)C1=O)NO ZINC000029248043 ED Annotated Bother Nc1nc(N)c(CCCNc2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000029248149 ED Annotated Bother Nc1nc(N)c(CCCNc2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[nH]1 ZINC000029249927 ED Annotated Bother O=C(C[C@@H]1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O)NO ZINC000029250335 ED Annotated Bother O=C(C[C@H]1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O)NO ZINC000029250342 ED Annotated Bother CCCN/C(N)=N/c1nc(-c2cccc(CNC(C)=O)n2)cs1 ZINC000029251125 ED Annotated Mild CC(=O)n1c(C)c(C(=O)c2ccc(N(C)C)cc2)n(C(C)=O)c1=O ZINC000029307674 ED Annotated Anodyne O=C(C[C@@H]1Sc2ccccc2N(CCC2OCCO2)C1=O)NO ZINC000029309121 ED Annotated Bother O=C(C[C@H]1Sc2ccccc2N(CCC2OCCO2)C1=O)NO ZINC000029309127 ED Annotated Bother CCCNC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000029309229 ED Annotated Bother CCCNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000029309234 ED Annotated Bother Cn1c(=O)[nH]c(-c2ccccc2)c(I)c1=O ZINC000029315371 ED Annotated Anodyne Cn1c(-c2ccccc2)c(I)c(=O)[nH]c1=O ZINC000029316955 ED Annotated Anodyne COc1cc(C(=O)Nc2nnn[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000029317731 ED Annotated Bother COc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000029318662 ED Annotated Mild COc1cc2c(cc1OC)C(=O)N1C=C(/C=C/C(N)=O)C[C@H]1C=N2 ZINC000029325759 ED Annotated Anodyne COc1cccc2c1C(=O)c1c(OC)cc(CNCCO)cc1C2=O ZINC000029335774 ED Annotated Clean CCN1CCCNC(=O)c2cc(Cl)c(N)cc2OCCOCC1 ZINC000029340135 ED Annotated Anodyne CCNC(=O)OCc1c2c(n3c1[C@@H](O)CC3)C(=O)C=C(OC)C2=O ZINC000029340323 ED Annotated Mild CCNC(=O)OCc1c2c(n3c1[C@H](O)CC3)C(=O)C=C(OC)C2=O ZINC000029340326 ED Annotated Mild CCNCc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000029341414 ED Annotated Clean O=C1c2cccc(O)c2C(=O)c2c(O)cc(CNCCCO)cc21 ZINC000029342689 ED Annotated Clean CCNC(=O)OCc1c2c(n3c1[C@@H](O)CCC3)C(=O)C=C(OC)C2=O ZINC000029344300 ED Annotated Mild CCNC(=O)OCc1c2c(n3c1[C@H](O)CCC3)C(=O)C=C(OC)C2=O ZINC000029344304 ED Annotated Mild CN(C)CCCNC(=O)C1=CC2=C(CO1)C(=O)c1ccccc1C2=O ZINC000029345782 ED Annotated Mild N[C@H](Cc1nc2cc(Cl)ccc2cc1CP(=O)(O)O)C(=O)O ZINC000029346709 ED Annotated Anodyne N[C@H](Cc1nc2ccc(Cl)cc2cc1CP(=O)(O)O)C(=O)O ZINC000029346713 ED Annotated Anodyne Cc1nn(C)c(N(C)S(C)(=O)=O)c1C(=O)c1ccccc1F ZINC000029347553 ED Annotated Anodyne CCOC(=O)C/N=C(C)/N=C(/Nc1ccccc1)N1CCOCC1 ZINC000029348346 ED Annotated Mild N[C@H](Cc1nc2cccc(Cl)c2cc1CP(=O)(O)O)C(=O)O ZINC000029391550 ED Annotated Anodyne CS(=O)(=O)Oc1cccc2c1C(=O)C=C(NCCCl)C2=O ZINC000029392835 ED Annotated Reactive S=C(NCN1CCOCC1)Nc1ccc(Br)cn1 ZINC000029393378 ED Annotated Anodyne Cc1cc2cc(CP(=O)(O)O)c(C[C@H](N)C(=O)O)nc2cc1C ZINC000029393386 ED Annotated Anodyne CCN(C)C(=S)SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C ZINC000029394197 ED Annotated Anodyne CN(CC#CCN1CCCC1=O)CCCI ZINC000029395920 ED Annotated Reactive C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=O)N3CCCC3)[C@H](C)[C@H]12 ZINC000029396699 ED Annotated Anodyne N[C@H](Cc1nc2ccc(F)cc2cc1CP(=O)(O)O)C(=O)O ZINC000029398542 ED Annotated Anodyne O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000029398607 ED Annotated Bother COC(=O)CN1C(=O)[C@H](CCCCC(=N)N)[C@H]2c3ccccc3C[C@@H]21 ZINC000029398725 ED Annotated Anodyne N#Cc1ccccc1NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F ZINC000029406267 ED Annotated Mild N#Cc1ccccc1NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F ZINC000029406269 ED Annotated Mild CCN1c2nc(-c3ccccc3)c(Cl)nc2C(N)=NS1(=O)=O ZINC000029407171 ED Annotated Anodyne N#Cc1cccc(NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F)c1 ZINC000029407195 ED Annotated Mild N#Cc1cccc(NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F)c1 ZINC000029407198 ED Annotated Mild CN1c2nc(-c3ccco3)c(-c3ccco3)nc2C(N)=NS1(=O)=O ZINC000029411490 ED Annotated Anodyne Cc1c(N2CCOCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029416407 ED Annotated Anodyne COCc1nc(Br)c2c(Br)nnc(O)n12 ZINC000029461847 ED Annotated Anodyne CC1(C)O[C@H]2C=C[C@H](NCc3c[nH]c4nc(N)nc(S)c34)[C@H]2O1 ZINC000029463880 ED Annotated Anodyne CC1(C)O[C@H]2C=C[C@H](NCc3c[nH]c4nc(N)nc(S)c34)[C@@H]2O1 ZINC000029463883 ED Annotated Anodyne CC1(C)O[C@H]2C=C[C@@H](NCc3c[nH]c4nc(N)nc(S)c34)[C@H]2O1 ZINC000029463886 ED Annotated Anodyne CC1(C)O[C@H]2C=C[C@@H](NCc3c[nH]c4nc(N)nc(S)c34)[C@@H]2O1 ZINC000029463889 ED Annotated Anodyne Nc1ncc2ncn(CC[C@@H](CO)COC(=O)c3ccccc3)c2n1 ZINC000029466027 ED Annotated Anodyne Nc1ncc2ncn(CC[C@H](CO)COC(=O)c3ccccc3)c2n1 ZINC000029466030 ED Annotated Anodyne Cc1cc(N(C)C(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1 ZINC000029470327 ED Annotated Anodyne Cc1noc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)c1C ZINC000029482527 ED Annotated Anodyne CNC(=O)OCc1c2c(n(C)c1COC(C)=O)C(O)=C(C)C(=N)C2=O ZINC000029544385 ED Annotated Clean COC1=C(N)C(=O)c2c(ccnc2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000029545708 ED Annotated Mild CN1CC[C@]23c4c5cc6sc(N)nc6c4O[C@H]2[C@@H](O)CC[C@@H]3[C@H]1C5 ZINC000029549896 ED Annotated Anodyne CN1CC[C@]23c4c5cc6sc(N)nc6c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5 ZINC000029549899 ED Annotated Anodyne CNC(=O)n1nc(-c2ccc(N)cc2)c2cc3c(cc2c1=O)OCO3 ZINC000029551853 ED Annotated Anodyne COC1=C(N)C(=O)c2c(ccnc2-c2ccccc2[N+](=O)[O-])C1=O ZINC000029552414 ED Annotated Mild COC1=C(N)C(=O)c2c(ccnc2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000029553129 ED Annotated Mild Cc1nc(N)nc(O)c1N1CCN(c2ccc(C(=O)O)cc2)CC1 ZINC000029553717 ED Annotated Anodyne O=c1cnn(-c2ccc(Br)c(C(F)(F)F)c2)c(=O)[nH]1 ZINC000029554018 ED Annotated Anodyne CCCCNC(=O)N/N=C/c1ccc2c(c1)[n+](=O)c(C)c(C)n2O ZINC000029565458 ED Annotated Reactive NC(N)=Nc1nc(C(=O)Nc2nc3c(O)cccc3s2)cs1 ZINC000029568648 ED Annotated Mild COC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCSCC1 ZINC000029569229 ED Annotated Anodyne COC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCSCC1 ZINC000029569232 ED Annotated Anodyne COc1cccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000029570417 ED Annotated Mild Cc1nccn1Cc1cccc(CNC(=O)c2ccn(C)c(=O)c2)c1 ZINC000029672804 ED Annotated Anodyne [N-]=[N+]=NC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000299805759 ED Annotated Clean [N-]=[N+]=NC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299805760 ED Annotated Clean COc1ccc2c(c1)O[C@@H]1C=C(N)C(C#N)=C(N)[C@@H]1[C@H]2C(C#N)C#N ZINC000299806010 ED Annotated Reactive COc1ccc2c(c1)O[C@@H]1C=C(N)C(C#N)=C(N)[C@H]1[C@H]2C(C#N)C#N ZINC000299806011 ED Annotated Reactive CC(C)N(C)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 ZINC000299809141 ED Annotated Anodyne CC(C)N(C)C(=O)n1cnc(S(=O)(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 ZINC000299809142 ED Annotated Anodyne Oc1nc(=Cc2c[nH]c3ccccc23)c(O)nc1=Cc1ccccn1 ZINC000299811158 ED Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1)C(=O)N(CCO)C(=O)N2Cc1ccccc1 ZINC000299812753 ED Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1)C(=O)N(CCO)C(=O)N2Cc1ccccc1 ZINC000299812754 ED Annotated Anodyne COc1ccc(C#C[C@@H]2C=C[C@@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000299812872 ED Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](N=[N+]=[N-])O[C@H]1CCl ZINC000299814090 ED Annotated Reactive CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])O[C@@H](CCl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000299814091 ED Annotated Reactive COc1ccc(CCN2C(=O)C[C@@]34C=C[C@@H](C[C@H]3C2=O)O4)cc1OC ZINC000299814433 ED Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1Br ZINC000299814442 ED Annotated Reactive CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1Br ZINC000299814443 ED Annotated Reactive CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1Br ZINC000299814444 ED Annotated Reactive CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1Br ZINC000299814445 ED Annotated Reactive COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)C=C3CC[N@@+](C)(C2)[C@@H]31 ZINC000299815505 ED Annotated Bother COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)C=C3CC[N@@+](C)(C2)[C@H]31 ZINC000299815506 ED Annotated Bother COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)C=C3CC[N@+](C)(C2)[C@@H]31 ZINC000299815507 ED Annotated Bother COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)C=C3CC[N@+](C)(C2)[C@H]31 ZINC000299815508 ED Annotated Bother CN(C(=O)[C@]12[C@H]3[C@@H]4[C@@H]5[C@H]3[C@@H]1[C@@H]5[C@]42C(=O)C12C3C4C5C3C1C5C42)C(C)(C)C ZINC000299815882 ED Annotated Anodyne CN(C(=O)[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]3[C@]1(C(=O)C13C6C7C8C6C1C8C73)[C@@H]5[C@@H]42)C(C)(C)C ZINC000299815883 ED Annotated Anodyne CN(C(=O)[C@@]12[C@H]3[C@@H]4[C@H]5[C@@H]([C@@H]41)[C@@]2(C(=O)C12C4C6C7C4C1C7C62)[C@H]53)C(C)(C)C ZINC000299815884 ED Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccs2)nc1O ZINC000299816004 ED Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccsc2)nc1O ZINC000299816739 ED Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccco2)nc1O ZINC000299816761 ED Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccoc2)nc1O ZINC000299816845 ED Annotated Anodyne Cc1ccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)o1 ZINC000299816930 ED Annotated Anodyne O=C(/C=C/c1cc2c(c(C(F)(F)F)c1)OCO2)N1CCNCC1 ZINC000299820034 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(C)[C@H](C)[C@@](O)(c2ccccc2)[C@@H]1C(=O)OCC ZINC000299822212 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(C)[C@H](C)[C@@](O)(c2ccccc2)[C@H]1C(=O)OCC ZINC000299822213 ED Annotated Anodyne COc1cc(O)c2c(c1)C(=O)C1=C(C[C@@H](OC(C)=O)[C@@](C)(O)C1)C2=O ZINC000299822314 ED Annotated Mild C[C@H](O)C[C@H]1C[C@@H]2N3COC[C@@H]1[C@@H]3C[C@]21C(=O)N(C)c2ccccc21 ZINC000299822348 ED Annotated Anodyne C[C@H](O)C[C@H]1C[C@@H]2N3COC[C@@H]1[C@@H]3C[C@@]21C(=O)N(C)c2ccccc21 ZINC000299822359 ED Annotated Anodyne C[C@@H](O)C[C@@H]1C[C@@H]2N3COC[C@H]1[C@@H]3C[C@]21C(=O)N(C)c2ccccc21 ZINC000299822364 ED Annotated Anodyne C/C=C1/CN2CC[C@]3(O)c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@@H]43 ZINC000299822508 ED Annotated Anodyne C/C=C1/CN2CC[C@@]3(O)c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@@H]43 ZINC000299822514 ED Annotated Anodyne C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4ncc[nH]4)C(=O)O[C@@H]3[C@@H]1O2 ZINC000299822528 ED Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](C(=O)NO)c1ccc(-n2cccn2)cc1 ZINC000299822871 ED Annotated Bother Nc1cc(Nc2nccnc2NS(=O)(=O)c2ccccc2)ccn1 ZINC000299822875 ED Annotated Anodyne O=C(Cn1cnc2ccccc2c1=O)NCc1ncc([N+](=O)[O-])s1 ZINC000299823349 ED Annotated Bother O=C(/C=C/c1ccc(O)cc1)[C@@]1(CCN2CCOCC2)CCOC1=O ZINC000299823829 ED Annotated Mild O=C(/C=C/c1ccc(O)cc1)[C@]1(CCN2CCOCC2)CCOC1=O ZINC000299823830 ED Annotated Mild CC(C)Oc1nc(N)nc(N)c1[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000299823925 ED Annotated Bother CC(C)Oc1nc(N)nc(N)c1[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000299823927 ED Annotated Bother C[C@@H]1OC[C@H]2[C@@H]3C[C@@]4(C(=O)N(C)c5ccccc54)[C@@H]4C[C@H]2[C@H]1[C@@H](O)N34 ZINC000299824008 ED Annotated Anodyne CCNC(=O)Nc1ccc(C(=O)Nc2ncc(C(=O)O)s2)cn1 ZINC000299824084 ED Annotated Anodyne O=C(Nn1c(S)nnc1-c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000299824146 ED Annotated Bother CCCO[P@](=O)(O)OCCSC(=S)N1CCN(C)CC1 ZINC000299824792 ED Annotated Anodyne C[C@H](O)C1=CN2[C@H]3C[C@@]4(C(=O)N(C)c5ccccc54)[C@@H]2C[C@H]1[C@H]3CO ZINC000299825807 ED Annotated Anodyne CC(=O)c1ccccc1OCc1ccc2c(c1)=[N+]([O-])C(C)(C)[N+]=2[O-] ZINC000299826361 ED Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCC3)[C@@H]2C[C@@H]1O ZINC000299827470 ED Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCC3)[C@@H]2C[C@H]1O ZINC000299827472 ED Annotated Anodyne C[C@@H](O)C[C@@H]1C[C@@H]2N3COC[C@H]1[C@@H]3C[C@]21C(=O)Nc2ccccc21 ZINC000299827850 ED Annotated Anodyne C[C@H](O)C[C@@H]1C[C@@H]2N3COC[C@H]1[C@@H]3C[C@]21C(=O)Nc2ccccc21 ZINC000299827853 ED Annotated Anodyne COc1cc(O)c(C(=O)OC(C)C)c(/C=C/CN2C(=O)C=CC2=O)c1 ZINC000299828091 ED Annotated Anodyne COc1ccc(C(=O)/C(=N\C(C)C)n2ncc(C#N)c2N)c(OC)c1 ZINC000299828968 ED Annotated Mild N#Cc1c(NC(=O)CCCCl)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000299829040 ED Annotated Reactive COC(=O)C1=C(C)Oc2ccc(OC)cc2[C@@H]1[C@H](C(C)=O)C(=O)OC ZINC000299829094 ED Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13C(=CC[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O ZINC000299829804 ED Annotated Anodyne O=C(Cc1ccc(Br)cc1)[C@@H]1Cc2cncn2C(=O)N1 ZINC000299829954 ED Annotated Anodyne c1c[n+]2ccc1NCCOCCNc1cc[n+](cc1)CCCCC2 ZINC000299830194 ED Annotated Anodyne O[C@H]1C=C[C@@H](O)[C@H]2[C@@H]1C1(CC[C@H]2O)Oc2cccc3cccc(c23)O1 ZINC000299830356 ED Annotated Anodyne O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1C1(CC[C@H]2O)Oc2cccc3cccc(c23)O1 ZINC000299830359 ED Annotated Anodyne O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H](O)CCC3(Oc4cccc5cccc(c45)O3)[C@H]12 ZINC000299830362 ED Annotated Anodyne O[C@H]1C=C[C@@H](O)[C@H]2[C@@H](O)CCC3(Oc4cccc5cccc(c45)O3)[C@H]12 ZINC000299830366 ED Annotated Anodyne C[C@H](O)C[C@@H]1C[C@@H]2N[C@@H](C[C@]23C(=O)N(C)c2ccccc23)[C@@H]1CO ZINC000299830644 ED Annotated Anodyne C[C@@H](O)C[C@@H]1C[C@@H]2N[C@@H](C[C@]23C(=O)N(C)c2ccccc23)[C@@H]1CO ZINC000299830648 ED Annotated Anodyne CCNC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)ccn2)cn1 ZINC000299830808 ED Annotated Anodyne CC1=CC2=C(Cc3c(O)cc(C)oc3=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000299831261 ED Annotated Mild CC1=CC(=O)N(Cc2cccc(Br)c2)S(=O)(=O)O1 ZINC000299832791 ED Annotated Anodyne C=C(C)[C@@H]1CC=C(CN(OC)[C@@H]2OC[C@@H](N=[N+]=[N-])[C@H](O)[C@H]2O)CC1 ZINC000299834036 ED Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@H]2OC[C@@H](N=[N+]=[N-])[C@H](O)[C@H]2O)CC1 ZINC000299834037 ED Annotated Mild COc1cc(O)c(C(=O)OC(C)C)c(CCCN2C(=O)C=CC2=O)c1 ZINC000299834229 ED Annotated Anodyne CC(C)(NC(=O)Cc1csc(-c2ncc(C#N)cc2O)n1)C(=O)O ZINC000299834654 ED Annotated Mild COC(=O)C1=C(C)Oc2c(O)cccc2[C@@H]1[C@H](C(C)=O)C(=O)OC ZINC000299835081 ED Annotated Anodyne NC(=O)N/N=C\c1ccccc1OCc1ccc2no[n+]([O-])c2c1 ZINC000299835434 ED Annotated Reactive CN(C)S(=O)(=O)c1cc(Br)c(O)c2ncccc12 ZINC000299836074 ED Annotated Anodyne COc1ccc([C@@H](CCC(=O)N(C)O)P(=O)(O)O)cc1OC ZINC000299836270 ED Annotated Anodyne COc1ccc([C@H](CCC(=O)N(C)O)P(=O)(O)O)cc1OC ZINC000299836272 ED Annotated Anodyne COc1ccc(NC(=S)NNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000299837681 ED Annotated Reactive Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)NCCc1ccccc1 ZINC000299838231 ED Annotated Reactive CC(=O)N1CC(=O)N/C(=C\c2cccc(C(=O)c3ccccc3)c2)C1=O ZINC000299838256 ED Annotated Anodyne CC(C)NC(=O)c1cc([N+](=O)[O-])ccc1/N=C1\CN(C)CCN1C ZINC000299838504 ED Annotated Mild O=C(NNC(=S)NCCc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000299839171 ED Annotated Reactive O=Cc1ccc([C@H](O)[C@H](O)CO)n1CCc1c[nH]c2ccccc12 ZINC000299841406 ED Annotated Anodyne Cc1nc(CN2C[C@@H]3C[C@H](C(=O)NCC4CC4)N(C)[C@H]3C2)cs1 ZINC000299841657 ED Annotated Anodyne Cn1ccnc1C(=O)N[C@H]1CN(Cc2ccoc2)[C@H]2CCCO[C@@H]12 ZINC000299841662 ED Annotated Anodyne O=C(Nc1cnccn1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccoc2)O1 ZINC000299841668 ED Annotated Anodyne Cc1ccc(CN2C[C@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)o1 ZINC000299841677 ED Annotated Anodyne Cn1cccc1C(=O)N[C@H]1CN(Cc2ccoc2)[C@H]2CCCO[C@@H]12 ZINC000299841679 ED Annotated Anodyne Cc1csc(NC(=O)[C@H]2C[C@H]3[C@@H](CCN3c3ncccn3)O2)n1 ZINC000299841700 ED Annotated Anodyne O=C(c1cnccn1)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@H]21 ZINC000299841712 ED Annotated Anodyne O=C([C@H]1C[C@H]2OCC[C@@H]2N(Cc2cccnc2)C1)N1CCCCO1 ZINC000299841713 ED Annotated Anodyne c1cnc(N2CC[C@@H]3CN(Cc4ccncc4)CCO[C@H]3C2)nc1 ZINC000299841716 ED Annotated Anodyne O=C(NCc1ccco1)[C@H]1CC[C@H]2[C@@H](CCN2c2ncccn2)O1 ZINC000299841722 ED Annotated Anodyne O=C(C1CCC1)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC000299841728 ED Annotated Anodyne Cc1cc(C(=O)N2C[C@H]3OCCN(CCN4CCCC4)[C@@H]3C2)c(C)o1 ZINC000299841732 ED Annotated Anodyne Cc1cccc(CN2C[C@H](C)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)c1 ZINC000299841739 ED Annotated Anodyne CC(=O)N1CC[C@H]2[C@@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC000299841743 ED Annotated Anodyne Cn1ccnc1CN1CCN2C[C@H](OCc3ccccc3)C[C@@H]2C1 ZINC000299841745 ED Annotated Anodyne Cc1cnc(N2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)nc1 ZINC000299841750 ED Annotated Anodyne COc1cc(N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)ncn1 ZINC000299841771 ED Annotated Anodyne Cc1occc1C(=O)N1C[C@H]2OCCN(CCN3CCCC3)[C@@H]2C1 ZINC000299841777 ED Annotated Anodyne Cn1cccc1C(=O)N[C@H]1CN(Cc2cccs2)[C@H]2COC[C@@H]12 ZINC000299841792 ED Annotated Anodyne COc1cc(N2C[C@H]3COC[C@@]3(COCc3ccncc3)C2)ncn1 ZINC000299841794 ED Annotated Anodyne O=C(CC1CC1)N[C@H]1CN(Cc2cccnc2)C[C@H]2CCCO[C@@H]12 ZINC000299841811 ED Annotated Anodyne O=C(c1ccsc1)N1C[C@H]2OCCN(CCN3CCCC3)[C@@H]2C1 ZINC000299841812 ED Annotated Anodyne O=C(N[C@H]1CN(C2CCCC2)C[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC000299841818 ED Annotated Anodyne COc1cccc(CN2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)c1 ZINC000299841827 ED Annotated Anodyne O=C(CC1CC1)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC000299841843 ED Annotated Anodyne O=C(NCc1ccco1)[C@H]1COC[C@@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC000299841848 ED Annotated Anodyne O=C(NC[C@@]12COC[C@@H]1CN(CC1CCOCC1)C2)c1ccccc1 ZINC000299841852 ED Annotated Anodyne CN(C)C(=O)CO[C@H]1CN(Cc2ccccc2F)[C@H]2CCCO[C@@H]12 ZINC000299841856 ED Annotated Anodyne COCCN1C[C@@H]2[C@@H](C1)[C@H](OC)CCN2C(=O)Cc1ccccc1 ZINC000299841860 ED Annotated Anodyne CN(C)CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc(F)cc1 ZINC000299841871 ED Annotated Anodyne Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3Cc2cccc(C#N)c2)cn1 ZINC000299841880 ED Annotated Mild CN(C)C(=O)CO[C@H]1CN(Cc2cccc(F)c2)[C@H]2CCCO[C@@H]12 ZINC000299841881 ED Annotated Anodyne Cc1cccc(CN2C(=O)CO[C@H]3CN(C4CCOCC4)C[C@@H]32)c1 ZINC000299841896 ED Annotated Anodyne CC(=O)N1[C@H]2CCN(C(=O)c3cccc(F)c3)C[C@@H]2C[C@@H]1CN(C)C ZINC000299841897 ED Annotated Anodyne Cc1oncc1C(=O)N[C@H]1CN(c2ncccn2)C[C@H]2CCCO[C@@H]12 ZINC000299841912 ED Annotated Anodyne O=C(c1ccno1)N1CCO[C@H]2C[C@@H](COCc3ccccn3)C[C@H]21 ZINC000299841920 ED Annotated Anodyne O=C(c1ccno1)N1CCO[C@H]2C[C@H](COCc3ccccn3)C[C@H]21 ZINC000299841921 ED Annotated Anodyne Cc1cnc(N2C[C@H]3CN([C@@H]4CCOC4)CCC[C@@]3(C(=O)O)C2)nc1 ZINC000299841925 ED Annotated Anodyne Cc1cnc(N2C[C@H]3CN([C@H]4CCOC4)CCC[C@@]3(C(=O)O)C2)nc1 ZINC000299841926 ED Annotated Anodyne Cc1cccc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccno3)C2)n1 ZINC000299841929 ED Annotated Anodyne Cn1cccc1C(=O)N[C@H]1CN(Cc2ccsc2)[C@H]2COC[C@@H]12 ZINC000299841932 ED Annotated Anodyne CC(=O)N1[C@H]2CCN(C(=O)c3cncc(C)c3)C[C@@H]2C[C@@H]1CN(C)C ZINC000299841939 ED Annotated Anodyne Cn1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cccc(F)c2)cn1 ZINC000299841941 ED Annotated Anodyne O=C1CO[C@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccncc1 ZINC000299841942 ED Annotated Anodyne Cc1nc(CN2C[C@H]3CN(C(=O)c4cccn4C)C[C@@H]3C2)cs1 ZINC000299841956 ED Annotated Anodyne CN(C)C(=O)CO[C@H]1CN(Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC000299841962 ED Annotated Anodyne CC(=O)N1[C@@H](Cn2cncn2)C[C@H]2CN(Cc3ccccn3)CC[C@H]21 ZINC000299841965 ED Annotated Anodyne O=C(Nc1cccnc1)[C@H]1C[C@H]2CCN(c3nncs3)C[C@@H]2O1 ZINC000299841972 ED Annotated Anodyne COc1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)cc1 ZINC000299841974 ED Annotated Anodyne Cc1cnc(N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@@H]3C2)nc1 ZINC000299841993 ED Annotated Anodyne O=C(Nc1cnccn1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccccn2)O1 ZINC000299841996 ED Annotated Anodyne CCc1cnc(N2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@@H]3C2)nc1 ZINC000299841998 ED Annotated Anodyne O=C1CO[C@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1cccnc1 ZINC000299842001 ED Annotated Anodyne Cn1cc(CN2C[C@H]3CCCO[C@@H]3[C@H](NC(=O)CC3CC3)C2)cn1 ZINC000299842006 ED Annotated Anodyne CO[C@H]1CCN(Cc2cnn(C)c2)[C@H]2CN(Cc3cccnc3)C[C@@H]12 ZINC000299842009 ED Annotated Anodyne COCCC(=O)N1CC[C@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000299842019 ED Annotated Anodyne COCCN1CC[C@H]2OC[C@H](C(=O)NCc3cccs3)C[C@@H]2C1 ZINC000299842026 ED Annotated Anodyne Cc1cc(CN2C[C@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)no1 ZINC000299842029 ED Annotated Anodyne Cn1cc(CN2C[C@@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)cn1 ZINC000299842032 ED Annotated Anodyne Cc1ncsc1CN1C[C@H]2OCC[C@@H]2[C@H](C(=O)N2CCCO2)C1 ZINC000299842048 ED Annotated Anodyne O=C(NCc1ccco1)[C@H]1C[C@H]2CCN(c3nncs3)C[C@@H]2O1 ZINC000299842050 ED Annotated Anodyne Cc1cccc(CN2C(=O)CO[C@H]3CN(Cc4cnn(C)c4)C[C@@H]32)c1 ZINC000299842056 ED Annotated Anodyne CN(Cc1cccnc1)[C@H]1CN(Cc2cnn(C)c2)[C@H]2CCCO[C@@H]12 ZINC000299842064 ED Annotated Anodyne COc1ccc(CN2C[C@H]3OCCN(C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000299842065 ED Annotated Anodyne COc1ccc(CN2C[C@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000299842066 ED Annotated Anodyne Cn1cccc1C(=O)N1CCO[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC000299842067 ED Annotated Anodyne CN1CCO[C@H]2CN(S(=O)(=O)c3ccccc3F)CC[C@@H]2C1 ZINC000299842077 ED Annotated Anodyne Cc1ncsc1CN1C[C@H]2OCC[C@@H]2[C@H](C(=O)NCC2CC2)C1 ZINC000299842088 ED Annotated Anodyne Cc1ccc(C(=O)N2C[C@H]3OCCN(CCN4CCCC4)[C@@H]3C2)cn1 ZINC000299842092 ED Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCO[C@H]2CCN(c3ncccn3)C[C@H]21 ZINC000299842097 ED Annotated Anodyne O=C1CO[C@H]2CN(C[C@H]3CCOC3)C[C@@H]2N1Cc1cccc(F)c1 ZINC000299842102 ED Annotated Anodyne O=C1CO[C@H]2CN(C[C@@H]3CCOC3)C[C@@H]2N1Cc1cccc(F)c1 ZINC000299842103 ED Annotated Anodyne O=C(CC1CC1)N[C@H]1CN(Cc2ccccn2)C[C@H]2CCCO[C@@H]12 ZINC000299842107 ED Annotated Anodyne CC(C)N1[C@@H](Cn2cncn2)C[C@H]2CN(Cc3nccn3C)CC[C@H]21 ZINC000299842108 ED Annotated Anodyne Cc1cc(C)cc(CN2C[C@@H]3[C@@H](COC[C@@H]3N3CCN(C)CC3)C2)c1 ZINC000299842121 ED Annotated Anodyne Cc1nc(CN2CCO[C@H]3CN(C(=O)CC4CC4)C[C@@H]3C2)cs1 ZINC000299842124 ED Annotated Anodyne O=C(C[C@H]1COC[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)N1CCCC1 ZINC000299842125 ED Annotated Anodyne O=C1[C@H]2CCN(Cc3ccoc3)C[C@@H]2OCCN1Cc1cccnc1 ZINC000299842134 ED Annotated Anodyne Cc1cc(CN2C[C@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)no1 ZINC000299842146 ED Annotated Anodyne Cc1noc(C)c1CN1C[C@H]2CN(C(=O)c3cnccn3)C[C@@H]2C1 ZINC000299842149 ED Annotated Anodyne Cc1cncc(C(=O)N2CC[C@H]3[C@H]2CCC(=O)N3CCN(C)C)c1 ZINC000299842169 ED Annotated Anodyne O=C(c1ccco1)N1CC[C@H](N2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000299842180 ED Annotated Anodyne CN(C)CCN1C(=O)CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1 ZINC000299842184 ED Annotated Mild O=C(NCc1ccccn1)[C@H]1COC[C@H]2CN(C3CCOCC3)C[C@H]21 ZINC000299842185 ED Annotated Anodyne CO[C@H]1CCN(Cc2cnn(C)c2)[C@H]2CN(Cc3ccncc3)C[C@@H]12 ZINC000299842191 ED Annotated Anodyne CN1CCN(C(=O)[C@H]2CC[C@H]3[C@@H](CCN3Cc3ccsc3)O2)CC1 ZINC000299842193 ED Annotated Anodyne c1csc(CN2CCO[C@@H]3[C@@H](OCCN4CCCC4)CC[C@@H]32)n1 ZINC000299842201 ED Annotated Anodyne Cc1nc(CO[C@H]2CN(Cc3cnn(C)c3)[C@H]3COC[C@@H]23)cs1 ZINC000299842204 ED Annotated Anodyne CC(C)CN1C[C@H]2CCN(Cc3cccnc3)CC[C@@H]2S1(=O)=O ZINC000299842211 ED Annotated Anodyne Cc1ccsc1CN1C[C@H]2COC[C@@]2(COCC(=O)N(C)C)C1 ZINC000299842212 ED Annotated Anodyne O=C(C1CCOCC1)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@H]21 ZINC000299842214 ED Annotated Anodyne Cc1cc(CN2C[C@H](C)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)oc1C ZINC000299842227 ED Annotated Anodyne O=C(COC[C@@H]1CC[C@H]2[C@@H](CCN2c2ncccn2)O1)N1CCCC1 ZINC000299842232 ED Annotated Anodyne O=C(COC[C@H]1CC[C@H]2[C@@H](CCN2c2ncccn2)O1)N1CCCC1 ZINC000299842233 ED Annotated Anodyne O=C(C[C@H]1COC[C@H]2CN(C(=O)c3ccccn3)C[C@@H]12)N1CCCC1 ZINC000299842237 ED Annotated Anodyne CN(Cc1cncnc1)[C@H]1CN(C(=O)c2ccco2)[C@H]2CCCO[C@@H]12 ZINC000299842238 ED Annotated Anodyne Cc1cc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccsc3)C2)no1 ZINC000299842240 ED Annotated Anodyne Cc1cnc(N2CC[C@H](N3CCOCC3)[C@@H]2Cc2ccncc2)nc1 ZINC000299842242 ED Annotated Anodyne Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000299842245 ED Annotated Anodyne Cc1cnc(C(=O)N2C[C@H]3OCCN(CC4CCCC4)C[C@@H]3C2)cn1 ZINC000299842251 ED Annotated Anodyne O=C(NC[C@@]12COC[C@@H]1CN(CC1CCOCC1)C2)c1ccco1 ZINC000299842255 ED Annotated Anodyne O=C([C@H]1C[C@H]2OCC[C@@H]2N(CC2CCOCC2)C1)N1CCCCO1 ZINC000299842261 ED Annotated Anodyne Cc1nc(CO[C@H]2CN(C(=O)c3ccc[nH]3)[C@H]3COC[C@@H]23)cs1 ZINC000299842262 ED Annotated Anodyne CC(=O)N1C[C@H]2CCC[C@@H](N3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000299842265 ED Annotated Anodyne CC(=O)N1C[C@H]2CCC[C@H](N3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000299842266 ED Annotated Anodyne CCCS(=O)(=O)N1C[C@H]2OCCN(Cc3cccs3)C[C@@H]2C1 ZINC000299842278 ED Annotated Anodyne CC(=O)N1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3nccs3)C[C@@H]21 ZINC000299842287 ED Annotated Anodyne O=C1CO[C@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1ccncc1 ZINC000299842294 ED Annotated Anodyne C1CCN(CCO[C@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)C1 ZINC000299842301 ED Annotated Anodyne Cc1ccc(O[C@H]2C[C@H]3CN(C(=O)c4cnccn4)CCN3C2)cc1 ZINC000299842310 ED Annotated Anodyne Cc1ccc(CN2CC[C@@H]3CO[C@H](CN4CCN(C)CC4)[C@@H]3C2)o1 ZINC000299842319 ED Annotated Anodyne O=C(NC[C@H]1OC[C@H]2CCN(C3CCOCC3)C[C@H]21)c1ccncc1 ZINC000299842323 ED Annotated Anodyne COc1cc(N2C[C@H]3COC[C@@]3(COc3ccccn3)C2)ncn1 ZINC000299842326 ED Annotated Anodyne CNC(=O)[C@H]1CN(C(=O)C(C)C)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000299842331 ED Annotated Anodyne Cn1cc(CN2C[C@H]3CCN(C(=O)c4cscn4)C[C@@H]3C2)cn1 ZINC000299842332 ED Annotated Anodyne O=S(=O)(C1CC1)N1CC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000299842337 ED Annotated Anodyne CO[C@H]1CCN(c2ncc(F)cn2)[C@H]2CN(Cc3ccco3)C[C@@H]12 ZINC000299842343 ED Annotated Anodyne CCCS(=O)(=O)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 ZINC000299842345 ED Annotated Anodyne O=C([C@H]1CC[C@H]2[C@@H](CCN2Cc2nccs2)O1)N1CCCCO1 ZINC000299842354 ED Annotated Anodyne CN(C)CCN1CCO[C@H]2CN(C(=O)c3cccs3)CC[C@@H]2C1 ZINC000299842368 ED Annotated Anodyne Cc1cccc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3Cc2nccn2C)n1 ZINC000299842369 ED Annotated Anodyne Cc1ccc(CN2C[C@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)s1 ZINC000299842371 ED Annotated Anodyne Cn1cc(C(=O)N[C@H]2CN(Cc3nccs3)[C@H]3CCCO[C@@H]23)cn1 ZINC000299842379 ED Annotated Anodyne Cc1ncsc1CN1C[C@H](OCC(=O)N(C)C)[C@@H]2OCCC[C@@H]21 ZINC000299842396 ED Annotated Anodyne O=C(c1ccnnc1)N1CC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000299842404 ED Annotated Anodyne CN1[C@@H](Cn2cncn2)C[C@H]2CN(Cc3cccc(C#N)c3)CC[C@H]21 ZINC000299842408 ED Annotated Mild CC(=O)N1[C@@H](Cn2cncn2)C[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC000299842414 ED Annotated Anodyne CN(C)[C@H]1CCN(C(=O)Cc2cccs2)[C@@H]1Cc1cnn(C)c1 ZINC000299842429 ED Annotated Anodyne O=C(NC1CC(F)(F)C1)[C@@]12COC[C@@H]1CN(Cc1cccnc1)C2 ZINC000299842439 ED Annotated Anodyne COc1ncccc1CN1C[C@H]2CCN(c3ncccn3)C[C@@H]2C1 ZINC000299842445 ED Annotated Anodyne O=C(C[C@H]1COC[C@H]2CN(Cc3ccccn3)C[C@@H]12)N1CCOCC1 ZINC000299842448 ED Annotated Anodyne O=C([C@@H]1CN(Cc2ccccc2F)C[C@H]2OCC[C@@H]21)N1CCCO1 ZINC000299842449 ED Annotated Anodyne O=C(N[C@H]1CN(c2ncccn2)C[C@H]2CCCO[C@@H]12)c1cccnc1 ZINC000299842467 ED Annotated Anodyne Cc1oncc1C(=O)N[C@H]1CN(Cc2ccco2)C[C@H]2CCCO[C@@H]12 ZINC000299842474 ED Annotated Anodyne Cn1cc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccccc3)C2)cn1 ZINC000299842479 ED Annotated Anodyne O=C(C[C@H]1COC[C@H]2CN(Cc3ccncc3)C[C@@H]12)N1CCOCC1 ZINC000299842495 ED Annotated Anodyne Cc1cnc(N2CC[C@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000299842505 ED Annotated Anodyne CCCS(=O)(=O)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@H]21 ZINC000299842506 ED Annotated Anodyne Cc1ccc(CN2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)s1 ZINC000299842513 ED Annotated Anodyne Cc1cccc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC000299842518 ED Annotated Anodyne Cn1cc(C(=O)N[C@H]2CN(Cc3cccs3)[C@H]3CCCO[C@@H]23)cn1 ZINC000299842519 ED Annotated Anodyne O=C([C@@H]1CN(Cc2ccc(F)cc2)C[C@H]2OCC[C@@H]21)N1CCCO1 ZINC000299842522 ED Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 ZINC000299842543 ED Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 ZINC000299842544 ED Annotated Anodyne Cn1ccnc1CN1CCO[C@H]2[C@@H](CNC(=O)c3ccco3)CC[C@H]21 ZINC000299842566 ED Annotated Anodyne Cn1ccnc1CN1CCO[C@H]2[C@H](CNC(=O)c3ccco3)CC[C@H]21 ZINC000299842567 ED Annotated Anodyne Cc1oncc1C(=O)N[C@H]1CN(Cc2ccoc2)C[C@H]2CCCO[C@@H]12 ZINC000299842569 ED Annotated Anodyne O=C([C@H]1C[C@H]2OCC[C@@H]2N(C(=O)c2ccccn2)C1)N1CCCCO1 ZINC000299842571 ED Annotated Anodyne CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@H]2CN(CC(C)C)C[C@@H]12 ZINC000299842573 ED Annotated Anodyne COCCN1C[C@@H]2[C@@H](C1)[C@H](OC)CCN2C(=O)Cc1ccsc1 ZINC000299842600 ED Annotated Anodyne Cc1ccoc1C(=O)N1C[C@H](N2CCN(C)CC2)[C@@H]2OCCC[C@@H]21 ZINC000299842603 ED Annotated Anodyne Cc1noc(C)c1CN1C[C@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC000299842608 ED Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2[C@@H]1CCN2c1ncccn1 ZINC000299842610 ED Annotated Anodyne O=C([C@H]1CC[C@H]2[C@@H](CCN2Cc2nccs2)O1)N1CCOCC1 ZINC000299842611 ED Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2nccn2C)[C@H]2CCCO[C@@H]12 ZINC000299842629 ED Annotated Anodyne CCS(=O)(=O)N1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000299842630 ED Annotated Anodyne Cc1cncc(C(=O)N2CCO[C@@H]3[C@@H](OCCN(C)C)CC[C@@H]32)c1 ZINC000299842633 ED Annotated Anodyne c1cnc(NC[C@H]2OC[C@H]3CCN(Cc4nccs4)C[C@H]32)nc1 ZINC000299842639 ED Annotated Anodyne COc1cc(N2C[C@H]3CCN(CCN4CCCC4)C[C@@H]3C2)ncn1 ZINC000299842642 ED Annotated Anodyne CCO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H]1Cc1ccccc1 ZINC000299842648 ED Annotated Anodyne CCO[C@H]1CO[C@]2(CCCN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000299842653 ED Annotated Anodyne CN(C)C(=O)CN1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC000299842661 ED Annotated Anodyne COCCO[C@H]1CCN(c2cc(OC)ncn2)[C@@H]1Cc1cccnc1 ZINC000299842663 ED Annotated Anodyne O=C(NCc1ccco1)[C@H]1C[C@H]2CCN(c3ccncn3)C[C@@H]2O1 ZINC000299842671 ED Annotated Anodyne Cc1cc(C(=O)N2CCO[C@@H]3[C@@H](OCCN(C)C)CC[C@@H]32)c(C)[nH]1 ZINC000299842686 ED Annotated Anodyne O=C1[C@H]2CCN(C3CCOCC3)C[C@@H]2OCCN1Cc1cccnc1 ZINC000299842687 ED Annotated Anodyne O=C(NCC1CCOCC1)[C@H]1C[C@H]2CCN(Cc3ccco3)C[C@@H]2O1 ZINC000299842689 ED Annotated Anodyne Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)n1 ZINC000299842691 ED Annotated Anodyne CCS(=O)(=O)N1C[C@H]2OCCN(Cc3cccs3)C[C@@H]2C1 ZINC000299842697 ED Annotated Anodyne c1cncc(CN2CCO[C@@H]3[C@@H](OCCN4CCCC4)CC[C@@H]32)c1 ZINC000299842698 ED Annotated Anodyne COCCOC[C@]1(CNCc2ccc(F)cc2)C[C@H](O)[C@H](O)C1 ZINC000299842702 ED Annotated Anodyne C[C@H]1CN(Cc2cccnc2)C[C@]12CCN(CCN1CCCC1)C2=O ZINC000299842704 ED Annotated Anodyne COCCO[C@H]1CCN(C(=O)c2ccno2)[C@@H]1Cc1ccncc1 ZINC000299842707 ED Annotated Anodyne Cn1ccnc1CN1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC000299842711 ED Annotated Anodyne O=C([C@H]1CCO[C@H]2CCN(CC3CCOCC3)C[C@H]21)N1CCCO1 ZINC000299842721 ED Annotated Anodyne CN(C)C(=O)COC[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccccn2)O1 ZINC000299842724 ED Annotated Anodyne O=C(Nc1cnccn1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000299842729 ED Annotated Anodyne CN(C)C(=O)COC[C@@]12COC[C@@H]1CN(CCc1ccccc1)C2 ZINC000299842741 ED Annotated Anodyne CN(Cc1cccnc1)[C@H]1CN(Cc2nccn2C)[C@H]2CCCO[C@@H]12 ZINC000299842742 ED Annotated Anodyne Fc1cnc(N2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@H]32)nc1 ZINC000299842743 ED Annotated Anodyne CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cccs3)CC[C@H]21 ZINC000299842750 ED Annotated Anodyne CCc1ccc(CN2CC[C@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)o1 ZINC000299842762 ED Annotated Anodyne O=C(Cc1ccsc1)N1C[C@H]2OCCN(C[C@@H]3CCCO3)[C@@H]2C1 ZINC000299842772 ED Annotated Anodyne O=C(Cc1ccsc1)N1C[C@H]2OCCN(C[C@H]3CCCO3)[C@@H]2C1 ZINC000299842773 ED Annotated Anodyne Cn1ccnc1C(=O)N[C@H]1CN(Cc2cccs2)[C@H]2CCCO[C@@H]12 ZINC000299842774 ED Annotated Anodyne CN1CCN([C@H]2CN(C(=O)Cc3ccsc3)[C@H]3CCCO[C@@H]23)CC1 ZINC000299842783 ED Annotated Anodyne Cc1noc(C)c1CN1C[C@H](OCC(=O)N(C)C)[C@@H]2OCCC[C@@H]21 ZINC000299842785 ED Annotated Anodyne Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC(=O)N3CCN(C)C)cn1 ZINC000299842790 ED Annotated Anodyne COc1cc(N2C[C@H]3CCC[C@@H](CN4CCOCC4)[C@@H]3C2)ncn1 ZINC000299842793 ED Annotated Anodyne O=C1CO[C@H]2CN(Cc3nccs3)C[C@@H]2N1Cc1ccncc1 ZINC000299842794 ED Annotated Anodyne COc1ncccc1CN1C[C@@H]2[C@H](C[C@H](C(=O)NCC3CC3)N2C)C1 ZINC000299842806 ED Annotated Anodyne CC(=O)N1[C@@H](Cn2cncn2)C[C@H]2CN(Cc3ccncc3)CC[C@H]21 ZINC000299842809 ED Annotated Anodyne Cc1ccoc1C(=O)N1CC[C@H]2CN(C3CCOCC3)CCO[C@@H]2C1 ZINC000299842814 ED Annotated Anodyne CN(C)C[C@H]1OC[C@H]2CN(C(=O)NCc3cccc(F)c3)CC[C@@H]12 ZINC000299842872 ED Annotated Anodyne c1ccc(CN2CCO[C@@H]3[C@@H](OCCN4CCCC4)CC[C@@H]32)nc1 ZINC000299842879 ED Annotated Anodyne O=C(c1ccnnc1)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC000299842885 ED Annotated Anodyne CC(=O)N1[C@H]2CCN(C(=O)c3cccn3C)C[C@@H]2C[C@@H]1CN(C)C ZINC000299842890 ED Annotated Anodyne Cc1cccc(CN2C[C@H]3CN(C(=O)c4cnoc4C)C[C@@H]3C2=O)n1 ZINC000299842895 ED Annotated Anodyne c1cnn(CCCO[C@H]2CN(C3CCOCC3)[C@H]3CCCO[C@@H]23)c1 ZINC000299842899 ED Annotated Anodyne Cc1ccc(CN2C[C@H]3OCC[C@@H]3[C@H](C(=O)N3CCCCO3)C2)o1 ZINC000299842922 ED Annotated Anodyne CC(=O)N1[C@H]2CCN(C(=O)c3occc3C)C[C@@H]2C[C@@H]1CN(C)C ZINC000299842935 ED Annotated Anodyne Cc1cnc(N2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@@H]32)nc1 ZINC000299842940 ED Annotated Anodyne N#Cc1cccc(CN2C[C@H](NC(=O)C3CC3)[C@@H]3OCCC[C@@H]32)c1 ZINC000299842946 ED Annotated Mild Cc1nc(CO[C@H]2CN(C(=O)c3cnoc3C)[C@H]3COC[C@@H]23)cs1 ZINC000299842952 ED Annotated Anodyne Cc1nc(CN2C[C@H]3CN(C(=O)c4cccn4C)C[C@@H]3C2=O)cs1 ZINC000299842956 ED Annotated Anodyne CCOCCN1C[C@H]2CCCO[C@@H]2[C@H](NC(=O)c2cnoc2C)C1 ZINC000299842957 ED Annotated Anodyne O=C(NCc1cccs1)[C@H]1CC[C@H]2[C@@H](CCN2c2ncccn2)O1 ZINC000299842959 ED Annotated Anodyne CCN1C[C@@H]2[C@@H](C1)[C@H](OC)CCN2S(=O)(=O)c1ccccc1F ZINC000299843042 ED Annotated Anodyne O=C(NC[C@H]1OC[C@H]2CCN(Cc3ccco3)C[C@H]21)c1ccnnc1 ZINC000299843058 ED Annotated Anodyne O=C(COC1CCCC1)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 ZINC000299843078 ED Annotated Anodyne C[C@H]1CN(C(=O)c2ccc[nH]2)C[C@]12CCN(CCN1CCCC1)C2=O ZINC000299843086 ED Annotated Anodyne Cc1csc(CN2C[C@H]3COC[C@@]3(COCC(=O)N(C)C)C2)n1 ZINC000299843090 ED Annotated Anodyne COc1cc(N2C[C@H]3COC[C@@]3(COc3cccnc3)C2)ncn1 ZINC000299843097 ED Annotated Anodyne Cc1noc(C)c1C(=O)N1C[C@H]2COC[C@@]2(COc2ccccn2)C1 ZINC000299843106 ED Annotated Anodyne Cc1ccccc1C(=O)N1CCO[C@@H]2[C@@H](OCCN(C)C)CC[C@@H]21 ZINC000299843117 ED Annotated Anodyne O=C(O)[C@@]12CCCN(Cc3ccco3)C[C@@H]1CN(c1ncccn1)C2 ZINC000299843125 ED Annotated Anodyne COc1ncc(CN2C[C@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)cn1 ZINC000299843126 ED Annotated Anodyne O=C(C[C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12)N1CCOCC1 ZINC000299843132 ED Annotated Anodyne O=C1CO[C@H]2CN(C3CCOCC3)C[C@@H]2N1Cc1cccc(F)c1 ZINC000299843136 ED Annotated Anodyne Cn1cc(CN2CC[C@@H]3[C@@H](CNC(=O)c4ccco4)OC[C@H]3C2)cn1 ZINC000299843137 ED Annotated Anodyne CCCS(=O)(=O)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@H]21 ZINC000299843156 ED Annotated Anodyne Cn1cccc1C(=O)NC[C@@]12COC[C@@H]1CN(Cc1nccs1)C2 ZINC000299843173 ED Annotated Anodyne CN(C)C[C@H]1OC[C@H]2CCN(S(=O)(=O)c3cccs3)C[C@H]21 ZINC000299843176 ED Annotated Anodyne O=C(O)[C@@]12CCCN(Cc3ccoc3)C[C@@H]1CN(c1ncccn1)C2 ZINC000299843182 ED Annotated Anodyne CC(C)CO[C@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@H]2CCCO[C@@H]12 ZINC000299843194 ED Annotated Anodyne Cc1nc(CN2C[C@H]3CN(C(=O)[C@H]4CCCO4)C[C@@H]3C2=O)cs1 ZINC000299843195 ED Annotated Anodyne CO[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@@H]1Cc1ccccc1 ZINC000299843196 ED Annotated Anodyne Cc1noc(C)c1CN1C[C@H](OCC2CCN(C)CC2)[C@@H]2COC[C@@H]21 ZINC000299843200 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3CO[C@H](CN(C)C)[C@@H]3C2)cc1 ZINC000299843202 ED Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCO[C@H]2CCN(C3CCOCC3)C[C@H]21 ZINC000299843204 ED Annotated Anodyne Cc1nc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)cs1 ZINC000299843212 ED Annotated Anodyne Cc1nc(CO[C@H]2CN(C(=O)c3cccn3C)[C@H]3COC[C@@H]23)cs1 ZINC000299843219 ED Annotated Anodyne Cn1cc(N2C(=O)CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)cn1 ZINC000299843224 ED Annotated Anodyne O=C(c1ccno1)N1CC[C@H]2O[C@@H](COCCN3CCCC3)CC[C@H]21 ZINC000299843231 ED Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(C(=O)c2ccnnc2)[C@H]2CCCO[C@@H]12 ZINC000299843241 ED Annotated Anodyne Cn1ccnc1CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC000299843252 ED Annotated Anodyne c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)c1 ZINC000299843254 ED Annotated Anodyne CN(C)CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)CCc1ccccc1 ZINC000299843263 ED Annotated Anodyne Cc1cccc(CN2C(=O)CO[C@H]3CN(Cc4nccn4C)C[C@@H]32)c1 ZINC000299843268 ED Annotated Anodyne Cc1cc(CN2C[C@H]3COC[C@@]3(CNC(=O)N3CCCC3)C2)no1 ZINC000299843282 ED Annotated Anodyne O=C(NC1CCCC1)[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncc(F)cn2)O1 ZINC000299843285 ED Annotated Anodyne Cc1nc(CN2C[C@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)cs1 ZINC000299843295 ED Annotated Anodyne O=C(C[C@H]1COC[C@H]2CN(Cc3cccnc3)C[C@@H]12)NCC1CC1 ZINC000299843306 ED Annotated Anodyne Fc1cnc(N2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@H]32)nc1 ZINC000299843310 ED Annotated Anodyne Cc1cc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccco3)C2)no1 ZINC000299843311 ED Annotated Anodyne c1cc(CN2CCO[C@@H]3[C@@H](OCCN4CCCC4)CC[C@@H]32)ccn1 ZINC000299843312 ED Annotated Anodyne O=C(C1CCOCC1)N1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@H]21 ZINC000299843320 ED Annotated Anodyne CCCS(=O)(=O)N1C[C@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC000299843325 ED Annotated Anodyne COCCN1CCO[C@H]2CN(C(=O)COc3ccc(C)cc3)C[C@@H]2C1 ZINC000299843329 ED Annotated Anodyne CCS(=O)(=O)NC[C@@]12COC[C@@H]1CN(Cc1sccc1C)C2 ZINC000299843389 ED Annotated Anodyne CN(C)CCO[C@H]1CN(Cc2ccc3c(c2)OCO3)[C@H]2COC[C@@H]12 ZINC000299843396 ED Annotated Anodyne CO[C@H]1CCN(c2ncc(F)cn2)[C@H]2CN(Cc3cccnc3)C[C@@H]12 ZINC000299843399 ED Annotated Anodyne O=S(=O)(C1CC1)N1CCO[C@@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC000299843413 ED Annotated Anodyne Cc1nc(CN2C[C@H]3CN(c4ncc(F)cn4)C[C@@H]3C2=O)cs1 ZINC000299843417 ED Annotated Anodyne O=C([C@H]1C[C@H]2OCC[C@@H]2N(CCc2ccccc2)C1)N1CCCO1 ZINC000299843418 ED Annotated Anodyne COc1ccccc1CN1CC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 ZINC000299843426 ED Annotated Anodyne O=C(CC1CC1)N[C@H]1CN(Cc2ccncc2)C[C@H]2CCCO[C@@H]12 ZINC000299843428 ED Annotated Anodyne O=S(=O)(c1cccs1)N1CC[C@H]2[C@@H]1CCN2c1ncccn1 ZINC000299843429 ED Annotated Anodyne CN1CCN(C(=O)[C@H]2C[C@H]3[C@@H](CCN3Cc3cccs3)O2)CC1 ZINC000299843433 ED Annotated Anodyne COCCN1C[C@H]2CN(Cc3ccsc3)CCC[C@@]2(C(=O)O)C1 ZINC000299843442 ED Annotated Anodyne CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000299843446 ED Annotated Anodyne O=S(=O)(C1CC1)N1CCO[C@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC000299843453 ED Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccc(C)nc3)C[C@@H]2N1C(C)C ZINC000299843460 ED Annotated Anodyne Cn1cc(CN2C[C@H]3COC[C@H](C(=O)Nc4cccnc4)[C@@H]3C2)cn1 ZINC000299843465 ED Annotated Anodyne C[C@H]1CN(C(=O)c2cccs2)C[C@]12CCN(CCN(C)C)C2=O ZINC000299843470 ED Annotated Anodyne C[C@H]1CN(C(=O)C2CCOCC2)C[C@]12CCN(c1cccnc1)C2=O ZINC000299843482 ED Annotated Anodyne Cc1nc(CN2CC[C@H]3O[C@H](C(=O)N4CCOCC4)C[C@H]32)cs1 ZINC000299843487 ED Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCO[C@H]2CCN(c3ccncn3)C[C@H]21 ZINC000299843493 ED Annotated Anodyne CC(C)N1[C@@H](Cn2cncn2)C[C@H]2CN(c3ncccn3)CC[C@H]21 ZINC000299843498 ED Annotated Anodyne O=C(Cc1ccccn1)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000299843507 ED Annotated Anodyne CN(C)CCN1C(=O)CC[C@@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC000299843511 ED Annotated Mild O=S(=O)(C1CC1)N1C[C@H]2OCCN(Cc3cccs3)C[C@@H]2C1 ZINC000299843519 ED Annotated Anodyne COc1ccc(CN2C[C@H]3COC[C@H](N4CCN(C)CC4)[C@@H]3C2)cc1 ZINC000299843526 ED Annotated Anodyne CCCS(=O)(=O)N1C[C@H]2OCCN(Cc3ccco3)C[C@@H]2C1 ZINC000299843528 ED Annotated Anodyne O=C([C@H]1CC[C@H]2[C@@H](CCN2Cc2ccsc2)O1)N1CCOCC1 ZINC000299843540 ED Annotated Anodyne Cc1cccc(CO[C@H]2C[C@H]3CN(c4ncccn4)CCN3C2)n1 ZINC000299843551 ED Annotated Anodyne CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]2C1 ZINC000299843568 ED Annotated Anodyne Cc1noc(C)c1CN1C[C@@H]2C[C@H](C(=O)NCC3CC3)N(C)[C@H]2C1 ZINC000299843575 ED Annotated Anodyne CN(Cc1cccnc1)[C@H]1CN(C(=O)c2ccno2)[C@H]2CCCO[C@@H]12 ZINC000299843576 ED Annotated Anodyne COCCN1CCO[C@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 ZINC000299843580 ED Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1CC[C@H]2[C@@H](CCN2CC2CC2)O1 ZINC000299843582 ED Annotated Anodyne O[C@H]1CC(CNCc2ccc(F)cc2)(COc2cccnc2)C[C@@H]1O ZINC000299843585 ED Annotated Anodyne O=C([C@H]1CSCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21 ZINC000299843590 ED Annotated Anodyne CCS(=O)(=O)N1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@H]21 ZINC000299843593 ED Annotated Anodyne O=C(O)[C@@]12CCCN(C[C@@H]3CCOC3)C[C@@H]1CN(c1ncccn1)C2 ZINC000299843598 ED Annotated Anodyne O=C(O)[C@@]12CCCN(C[C@H]3CCOC3)C[C@@H]1CN(c1ncccn1)C2 ZINC000299843599 ED Annotated Anodyne Cn1ccnc1CN1CC[C@H]2CO[C@@H](CNc3ncccn3)[C@@H]2C1 ZINC000299843601 ED Annotated Anodyne Cc1nnc(N2CC[C@H]3C[C@H](C(=O)NC4CCCC4)O[C@@H]3C2)s1 ZINC000299843605 ED Annotated Anodyne Cc1nc(CN2C[C@H]3COC[C@@]3(COCC(=O)N(C)C)C2)cs1 ZINC000299843610 ED Annotated Anodyne O[C@H]1CC(CNCc2ccccn2)(COc2cccnc2)C[C@@H]1O ZINC000299843612 ED Annotated Anodyne Fc1cnc(N2CC[C@H](N3CCOCC3)[C@@H]2Cc2ccncc2)nc1 ZINC000299843618 ED Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2cnn(C)c2)[C@H]2CCCO[C@@H]12 ZINC000299843624 ED Annotated Anodyne O=C(N[C@H]1CN(c2ncccn2)C[C@H]2CCCO[C@@H]12)c1ccncc1 ZINC000299843629 ED Annotated Anodyne Cc1nc(CN2CCO[C@@H]3[C@@H](OCC(=O)N(C)C)CC[C@@H]32)cs1 ZINC000299843631 ED Annotated Anodyne Cc1cc(CN2C[C@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)no1 ZINC000299843632 ED Annotated Anodyne Cc1cc(CN2C[C@H](N3CCN(C)CC3)[C@@H]3OCCC[C@@H]32)oc1C ZINC000299843642 ED Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(Cc3cccnc3OC)C[C@@H]2N1C(C)C ZINC000299843648 ED Annotated Anodyne Cc1cccc(S(=O)(=O)N2CC[C@@H]3CO[C@H](CN(C)C)[C@@H]3C2)c1 ZINC000299843652 ED Annotated Anodyne O=C(c1ccsc1)N1C[C@H]2C(=O)N(Cc3cccnc3)C[C@@H]2C1 ZINC000299843661 ED Annotated Anodyne Cc1ccc(CN2C[C@H]3CCCO[C@@H]3[C@H](NS(C)(=O)=O)C2)o1 ZINC000299843678 ED Annotated Anodyne O=C(NC[C@H]1OC[C@H]2CN(Cc3ccco3)CC[C@@H]12)c1cccnc1 ZINC000299843679 ED Annotated Anodyne Cc1ccc(N2C[C@H]3OCCN(Cc4csc(C)n4)C[C@@H]3C2)nn1 ZINC000299843687 ED Annotated Anodyne O=C(c1cnccn1)N1CCN2C[C@H](OCc3ccccc3)C[C@@H]2C1 ZINC000299843690 ED Annotated Anodyne Cn1cc(C(=O)NC[C@H]2OC[C@H]3CN(Cc4ccco4)CC[C@@H]23)cn1 ZINC000299843693 ED Annotated Anodyne Cc1cnc(N2CCN3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)nc1 ZINC000299843700 ED Annotated Anodyne O=C(c1cscn1)N1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@H]21 ZINC000299843720 ED Annotated Anodyne Cc1ncsc1CN1C[C@H]2COC[C@@]2(CNC(=O)c2ccco2)C1 ZINC000299843757 ED Annotated Anodyne CN1CCN(C[C@H]2OC[C@H]3CN(Cc4ccsc4)CC[C@@H]23)CC1 ZINC000299843761 ED Annotated Anodyne CN1CCN(C[C@H]2OC[C@H]3CN(Cc4cccc(F)c4)CC[C@@H]23)CC1 ZINC000299843764 ED Annotated Anodyne O=C(NCc1ccco1)[C@H]1C[C@H]2CCN(c3ncccn3)C[C@@H]2O1 ZINC000299843772 ED Annotated Anodyne Cc1oncc1C(=O)N1CC[C@H]2[C@@H](C[C@H](CN(C)C)N2CC2CC2)C1 ZINC000299843778 ED Annotated Anodyne CNC(=O)C1(N2CCC[C@@H]2C(=O)NC2CCCCC2)CCOCC1 ZINC000299843788 ED Annotated Anodyne O=C([C@H]1C[C@H]2OCC[C@@H]2N(Cc2ccccn2)C1)N1CCCCO1 ZINC000299843791 ED Annotated Anodyne CN1C[C@H]2CN(C(=O)NCc3cccc(F)c3)CCC[C@@]2(C(=O)O)C1 ZINC000299843793 ED Annotated Anodyne O=C(c1cnccn1)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC000299843794 ED Annotated Anodyne Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCN(C)CC4)C[C@@H]32)cc1 ZINC000299843802 ED Annotated Anodyne Cc1ccc(N2CC[C@H]3CN(C(=O)c4ccn(C)n4)C[C@@H]3C2)nn1 ZINC000299843811 ED Annotated Anodyne Cc1cccc(CN2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2=O)n1 ZINC000299843853 ED Annotated Anodyne COCCN(C)C[C@H]1CCC[C@H]2CN(c3cc(OC)ncn3)C[C@@H]12 ZINC000299843862 ED Annotated Anodyne CO[C@H]1CCN(Cc2cnn(C)c2)[C@H]2CN(Cc3ccco3)C[C@@H]12 ZINC000299843875 ED Annotated Anodyne Cn1cc(CN2CC[C@H]3CO[C@@H](CNc4ncccn4)[C@@H]3C2)cn1 ZINC000299843877 ED Annotated Anodyne O=C(CO[C@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccccn1)N1CCCC1 ZINC000299843880 ED Annotated Anodyne O=C(Cc1ccsc1)N1C[C@H]2OCCN(c3cnccn3)[C@@H]2C1 ZINC000299843887 ED Annotated Anodyne CN(C)C[C@H]1OC[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000299843890 ED Annotated Anodyne Cc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@H]3OCCC[C@H]32)cn1 ZINC000299843894 ED Annotated Anodyne Cc1ccc(C(=O)N2CC[C@H](N(C)C)[C@H]2Cc2cnn(C)c2)cn1 ZINC000299843896 ED Annotated Anodyne c1cnc(NC[C@H]2OC[C@H]3CCN(Cc4cccnc4)C[C@H]32)nc1 ZINC000299843898 ED Annotated Anodyne Cc1nc(CN2C[C@H]3CN(C(=O)Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000299843902 ED Annotated Anodyne CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000299843922 ED Annotated Anodyne Cn1cc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccsc3)C2)cn1 ZINC000299843925 ED Annotated Anodyne O=C(NC[C@@]12COC[C@@H]1CN(Cc1nccs1)C2)N1CCCC1 ZINC000299843927 ED Annotated Anodyne Cc1nc(CN2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2=O)cs1 ZINC000299843936 ED Annotated Anodyne C=C1C(=O)O[C@H]2CC(C=O)=C[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C/C[C@@H]12 ZINC000299844409 ED Annotated Reactive C=C1C(=O)O[C@H]2CC(C=O)=C[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C/C[C@H]12 ZINC000299844410 ED Annotated Reactive Cc1ccc(S(=O)(=O)N2C(=O)N[C@]3(C[C@H]4CC[C@H]3C4)C2=O)cc1 ZINC000299844839 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N2C(=O)N[C@@]3(C[C@H]4CC[C@H]3C4)C2=O)cc1 ZINC000299844840 ED Annotated Anodyne C[C@@H](NNC(=O)c1cc[n+]([BH2-]C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000299844887 ED Annotated Reactive C[C@H](NNC(=O)c1cc[n+]([BH2-]C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000299844888 ED Annotated Reactive CN(C)/C=[N+]1/[C@@H](Cc2ccccc2)C(=O)O[B@-]1(F)c1ccccc1 ZINC000299844892 ED Annotated Mild CN(C)/C=[N+]1/[C@@H](Cc2ccccc2)C(=O)O[B@@-]1(F)c1ccccc1 ZINC000299844893 ED Annotated Mild C[C@H](NNC(=O)c1cc[n+]([BH2-]C#N)cc1)c1ccc(Cl)cc1Cl ZINC000299844906 ED Annotated Reactive C[C@@H](NNC(=O)c1cc[n+]([BH2-]C#N)cc1)c1ccc(Cl)cc1Cl ZINC000299844907 ED Annotated Reactive NC(=O)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1 ZINC000299845037 ED Annotated Anodyne C[C@@]1(CN)CC[C@@H](C(=O)OCOC(=O)[C@@H]2CC[C@@H](CN)CC2)CC1 ZINC000299846150 ED Annotated Anodyne CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)N3[C@@H]1O ZINC000299847534 ED Annotated Anodyne C[N@@+]1([O-])CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000299848834 ED Annotated Bother Cc1csc2ncc(-c3ccnc(N4CCC[C@@H]4CO)n3)c(=O)n12 ZINC000299849813 ED Annotated Anodyne NC(=O)[C@H]1CCCN(c2nccc(-c3c[nH]nc3-c3cccnc3)n2)C1 ZINC000299849831 ED Annotated Anodyne Cc1cn2c(=O)c(-c3ccnc(N4CCC[C@@H]4CO)n3)cnc2s1 ZINC000299849837 ED Annotated Anodyne CC(C)CCN1CC[C@]2(CNS(=O)(=O)c3cccnc3O2)C1 ZINC000299849858 ED Annotated Anodyne CC(C)CCN1CC[C@@]2(CNS(=O)(=O)c3cccnc3O2)C1 ZINC000299849859 ED Annotated Anodyne Cc1csc2ncc(-c3ccnc(N4CCN(C)CC4)n3)c(=O)n12 ZINC000299849887 ED Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)Nc1nc(-c2cnc(N(C)C)nc2)cs1 ZINC000299849916 ED Annotated Anodyne O=c1c(-c2ccnc(N3CCCC[C@@H]3CO)n2)cnc2sccn12 ZINC000299849918 ED Annotated Anodyne Cc1ncc(-c2ccnc(N3CC[C@H](O)C3)n2)c(-c2cccnc2)n1 ZINC000299849923 ED Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCC(=O)OC(C)(C)C ZINC000299850199 ED Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCC(=O)OC(C)(C)C ZINC000299850200 ED Annotated Anodyne CC[C@@H](CO)Nc1nccc(-c2cnc3sc(C)cn3c2=O)n1 ZINC000299850223 ED Annotated Anodyne O=c1c(-c2ccnc(N3CCC[C@H]3CO)n2)cnc2sccn12 ZINC000299850239 ED Annotated Anodyne CN(C)CCN1CCN(C)c2nc(-c3ccccc3)ncc2C1=O ZINC000299850250 ED Annotated Anodyne CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(-c2cnc(NCCO)nc2)c1 ZINC000299850254 ED Annotated Anodyne C[C@@H](CO)Nc1nccc(-c2cnc3sc(Cl)cn3c2=O)n1 ZINC000299850277 ED Annotated Anodyne Cc1ccnn1CCC(=O)N1CCCC[C@@]2(C)[C@@H]1CCC(=O)N2C ZINC000299850354 ED Annotated Anodyne CN1CCC[C@@]1(CCCc1cccnc1)C(=O)NCc1nccn1C ZINC000299850359 ED Annotated Anodyne CN1CCC[C@]1(CCCc1cccnc1)C(=O)NCc1nccn1C ZINC000299850361 ED Annotated Anodyne Cc1n[nH]c(C)c1CC(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000299850394 ED Annotated Anodyne Cc1ccccc1C(=O)N1CCO[C@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000299850404 ED Annotated Anodyne Cc1ccccc1C(=O)N1CCO[C@@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000299850405 ED Annotated Anodyne CS(=O)(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)c1cncs1 ZINC000299850418 ED Annotated Anodyne CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cncs1 ZINC000299850420 ED Annotated Anodyne CO[C@@H]1CN(c2ccccc2)S(=O)(=O)[C@@]12CCN(CC1CC1)C2 ZINC000299850595 ED Annotated Anodyne CS(=O)(=O)N1C[C@@]2(CCCN(C3COC3)C2)Cc2ccccc21 ZINC000299850613 ED Annotated Anodyne CS(=O)(=O)N1C[C@]2(CCCN(C3COC3)C2)Cc2ccccc21 ZINC000299850614 ED Annotated Anodyne COC(=O)CNC(=O)c1nc(-c2ccccc2OC)c2cnccn12 ZINC000299850638 ED Annotated Anodyne CCN1C[C@@H](COc2ccccc2)Oc2ncccc2S1(=O)=O ZINC000299850639 ED Annotated Anodyne CCN1C[C@H](COc2ccccc2)Oc2ncccc2S1(=O)=O ZINC000299850640 ED Annotated Anodyne Cc1cc(CN2CCN3C[C@H](c4ccccc4)[C@@H](CO)[C@H]3C2)on1 ZINC000299850668 ED Annotated Anodyne COc1ccc(-n2ncc(C(=O)NC[C@@H]3COC(C)(C)O3)c2N)cc1 ZINC000299850745 ED Annotated Anodyne COc1ccc(-n2ncc(C(=O)NC[C@H]3COC(C)(C)O3)c2N)cc1 ZINC000299850746 ED Annotated Anodyne CN(C)C(=O)CN1CCC[C@@](CCCc2ccccn2)(C(N)=O)C1 ZINC000299850773 ED Annotated Anodyne CN(C)C(=O)CN1CCC[C@](CCCc2ccccn2)(C(N)=O)C1 ZINC000299850774 ED Annotated Anodyne CC(=O)N[C@@H]1C[C@H](c2ccc(OCCO)cc2)OC2(CCOCC2)C1 ZINC000299850793 ED Annotated Anodyne Cc1cccnc1C(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 ZINC000299850812 ED Annotated Anodyne Cc1cccnc1C(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 ZINC000299850813 ED Annotated Anodyne Cc1cnc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)cn1 ZINC000299850815 ED Annotated Anodyne Cc1cnc(C(=O)N2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)cn1 ZINC000299850816 ED Annotated Anodyne Cc1cccnc1C(=O)N1CCCC[C@@H]1c1[nH]ncc1S(C)(=O)=O ZINC000299850824 ED Annotated Anodyne Cc1cccnc1C(=O)N1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O ZINC000299850825 ED Annotated Anodyne CNc1ccc(C[C@H]2CCCN(C(=O)c3cncnc3C)C2)nn1 ZINC000299850826 ED Annotated Anodyne CNc1ccc(C[C@@H]2CCCN(C(=O)c3cncnc3C)C2)nn1 ZINC000299850827 ED Annotated Anodyne CN(C(=O)c1ccnn1C)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000299850946 ED Annotated Anodyne Cc1ccc(CN2CC[C@H](O)[C@@H](n3ccc(O)nc3=O)CC2)cc1 ZINC000299851005 ED Annotated Anodyne CN(C(=O)COc1ccc(F)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000299851042 ED Annotated Anodyne CN1CCC(N(C)C(=O)c2cnn(-c3cc(F)ccc3F)c2N)CC1 ZINC000299851351 ED Annotated Anodyne CNC(=O)[C@@H]1[C@@H](c2ccccc2)CN2CCN(Cc3ccco3)C[C@H]12 ZINC000299851391 ED Annotated Anodyne CC(=O)N1N=C(c2ccco2)O[C@H]1C(=O)NCCc1ccc(O)cc1 ZINC000299851464 ED Annotated Anodyne CC(=O)N1N=C(c2ccco2)O[C@@H]1C(=O)NCCc1ccc(O)cc1 ZINC000299851465 ED Annotated Anodyne Nc1nc(N)c2c(n1)O[C@]1(CCCN(Cc3nccs3)CC1)C2 ZINC000299851496 ED Annotated Anodyne Nc1nc(N)c2c(n1)O[C@@]1(CCCN(Cc3nccs3)CC1)C2 ZINC000299851497 ED Annotated Anodyne CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccccn2)C1 ZINC000299851508 ED Annotated Anodyne CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccccn2)C1 ZINC000299851509 ED Annotated Anodyne O=C(N[C@@H]1CN(Cc2cccc3[nH]ccc23)C[C@H]1O)c1cscn1 ZINC000299851563 ED Annotated Anodyne CC(=O)N1N=C(c2cccs2)O[C@H]1C(=O)NCc1ccc(C)o1 ZINC000299851640 ED Annotated Anodyne CC(=O)N1N=C(c2cccs2)O[C@@H]1C(=O)NCc1ccc(C)o1 ZINC000299851641 ED Annotated Anodyne O=C1CN(C(=O)OCc2ccccc2)C[C@@H](O)CN1Cc1ccco1 ZINC000299851717 ED Annotated Anodyne O=C1CN(C(=O)OCc2ccccc2)C[C@H](O)CN1Cc1ccco1 ZINC000299851718 ED Annotated Anodyne CN(C)CCN(C)c1cc(N2CCN(c3ccccn3)CC2)ncn1 ZINC000299851719 ED Annotated Anodyne CSc1ccc(C(=O)N2CC(=O)N(CC3CC3)C[C@H](O)C2)cc1 ZINC000299851763 ED Annotated Anodyne CSc1ccc(C(=O)N2CC(=O)N(CC3CC3)C[C@@H](O)C2)cc1 ZINC000299851764 ED Annotated Anodyne CCOC(=O)N1[C@@H](c2ccco2)[C@@H](CO)C[C@]12CCCCNC2=O ZINC000299851771 ED Annotated Anodyne CCO[C@]1(c2ccc(O)c(O)c2)Oc2cc(CCO)ccc2O[C@H]1O ZINC000299851830 ED Annotated Clean CCO[C@@]1(c2ccc(O)c(O)c2)Oc2cc(CCO)ccc2O[C@@H]1O ZINC000299851831 ED Annotated Clean CC(=O)N1N=C(c2ccco2)O[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000299851989 ED Annotated Anodyne CC(=O)N1N=C(c2ccco2)O[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000299851990 ED Annotated Anodyne CO[C@]1(c2ccc(O)c(O)c2)Oc2cc(CCO)ccc2O[C@H]1O ZINC000299851994 ED Annotated Clean CO[C@@]1(c2ccc(O)c(O)c2)Oc2cc(CCO)ccc2O[C@@H]1O ZINC000299851995 ED Annotated Clean CC(=O)N1N=C(c2ccco2)O[C@@H]1C(=O)N(C)CCc1ccccc1 ZINC000299852007 ED Annotated Anodyne CC(=O)N1N=C(c2ccco2)O[C@H]1C(=O)N(C)CCc1ccccc1 ZINC000299852008 ED Annotated Anodyne CNC(=O)[C@@H]1[C@H]2CN(Cc3ccoc3)CCN2C[C@H]1c1ccccc1 ZINC000299852076 ED Annotated Anodyne COC[C@@H]1N(C(=O)c2ccc3c(c2)OCCCO3)C2CCC1(O)CC2 ZINC000299852079 ED Annotated Anodyne COC[C@H]1N(C(=O)c2ccc3c(c2)OCCCO3)C2CCC1(O)CC2 ZINC000299852080 ED Annotated Anodyne Cc1ccc(C)c(-n2ncc(C(=O)NC[C@@H]3COC(C)(C)O3)c2N)c1 ZINC000299852265 ED Annotated Anodyne Cc1ccc(C)c(-n2ncc(C(=O)NC[C@H]3COC(C)(C)O3)c2N)c1 ZINC000299852266 ED Annotated Anodyne COc1ccc2c(c1)CN(C)C(=O)CCN2C[C@@H](O)C(F)(F)F ZINC000299852385 ED Annotated Clean COc1ccc2c(c1)CN(C)C(=O)CCN2C[C@H](O)C(F)(F)F ZINC000299852386 ED Annotated Clean CO[C@]1(c2ccc(O)c(O)c2)Oc2ccc(CCO)cc2O[C@H]1O ZINC000299852548 ED Annotated Clean CO[C@@]1(c2ccc(O)c(O)c2)Oc2ccc(CCO)cc2O[C@@H]1O ZINC000299852549 ED Annotated Clean CC(=O)N[C@H]1Oc2cc(CCO)ccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000299852662 ED Annotated Clean CCO[C@@]1(c2ccc(O)c(O)c2)Oc2ccc(CCO)cc2O[C@H]1O ZINC000299852663 ED Annotated Clean CCO[C@]1(c2ccc(O)c(O)c2)Oc2ccc(CCO)cc2O[C@H]1O ZINC000299852664 ED Annotated Clean CCO[C@@]1(c2ccc(O)c(O)c2)Oc2ccc(CCO)cc2O[C@@H]1O ZINC000299852665 ED Annotated Clean CCO[C@]1(c2ccc(O)c(O)c2)Oc2ccc(CCO)cc2O[C@@H]1O ZINC000299852666 ED Annotated Clean CN1CC(=O)N(C2CCNCC2)Cc2c(NCC(C)(C)C)ncnc21 ZINC000299852672 ED Annotated Anodyne COc1ccccc1-c1nc(C(=O)N2CCOCC2)n2ccncc12 ZINC000299852881 ED Annotated Anodyne CCCn1[nH]cc/c1=N\C(=O)CN1CCC[C@H]1Cn1nc(C)nc1C ZINC000299852901 ED Annotated Anodyne N=C(N)NC(=O)c1cnn(-c2ccc3nc(O)ccc3c2)c1C1CC1 ZINC000299853729 ED Annotated Anodyne N=C(N)NC(=O)c1cnn(-c2cc(O)nc3ccccc23)c1C1CC1 ZINC000299853879 ED Annotated Anodyne CC(C)c1c(C(=O)NC(=N)N)cnn1-c1cccc2nc(O)ccc12 ZINC000299854025 ED Annotated Anodyne N=C(N)NC(=O)c1cn(-c2cccc3nc(O)ccc23)nc1C1CC1 ZINC000299854096 ED Annotated Anodyne CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cn3)o2)nc1 ZINC000299854409 ED Annotated Mild Cn1c(CCCC(=O)O)nc2ccc(N(CCO)CCS)cc21 ZINC000299854415 ED Annotated Mild N=C(N)NC(=O)c1cnn(-c2c(O)ccc3ncccc23)c1C1CC1 ZINC000299854496 ED Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](CO)NC1=O ZINC000299854744 ED Annotated Mild COc1cc(OC)c2c(C)c(C(=O)C(=O)N3CCOCC3)[nH]c2c1 ZINC000299854819 ED Annotated Anodyne COc1cccc(-c2nc3c(O)nc(NC(C)=O)nc3[nH]2)c1OC ZINC000299855249 ED Annotated Anodyne Cc1c(CC(P(=O)(O)O)P(=O)(O)O)c2ccccc2n1C ZINC000299857444 ED Annotated Clean C=CCN1C(=O)C(C(=O)c2ccc(O)cc2)C(=O)N(CC=C)C1=O ZINC000299858004 ED Annotated Mild COC(=O)C/C=C(\C)CCc1c(O)cc2c(c1O)CN(CCO)C2=O ZINC000299862882 ED Annotated Clean COC(=O)c1ccc2c(=O)c3cc(O)cc(C(=O)O)c3oc2c1O ZINC000299863739 ED Annotated Bother CC(C)COC(=O)N1CC(=O)N(CCCc2ccccc2)C[C@H](O)C1 ZINC000299864144 ED Annotated Anodyne CC(C)COC(=O)N1CC(=O)N(CCCc2ccccc2)C[C@@H](O)C1 ZINC000299864145 ED Annotated Anodyne NCCOCCOCCNc1cc(O)nc2c([N+](=O)[O-])cccc12 ZINC000299864779 ED Annotated Bother CO[C@H]1CCN(C(=O)COC(C)=O)CC(=O)N(C)c2ccccc21 ZINC000299865345 ED Annotated Anodyne CO[C@@H]1CCN(C(=O)COC(C)=O)CC(=O)N(C)c2ccccc21 ZINC000299865346 ED Annotated Anodyne C=CCN1C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N(CC=C)C1=O ZINC000299865515 ED Annotated Mild C=CCN1C(=O)C(C(=O)c2ccc(O)c(O)c2)C(=O)N(CC=C)C1=O ZINC000299865765 ED Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1[C@H](O)[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000299866909 ED Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000299866910 ED Annotated Mild Cc1ccc(CN2C[C@H](O)CN(C(=O)OCC(C)C)CC2=O)cc1 ZINC000299867091 ED Annotated Anodyne Cc1ccc(CN2C[C@@H](O)CN(C(=O)OCC(C)C)CC2=O)cc1 ZINC000299867092 ED Annotated Anodyne C=CCN1C(=O)C(Cc2ccc(O)c(O)c2)C(=O)N(CC=C)C1=O ZINC000299867227 ED Annotated Mild Cc1cc(C)n(Cc2ccc(C(=O)Nc3c[nH]nc3C(N)=O)o2)n1 ZINC000299867288 ED Annotated Anodyne COC(=O)N1CC[C@@]2(C1)[C@H](OC)CN(c1ccccc1)S2(=O)=O ZINC000299867295 ED Annotated Anodyne Cc1nnsc1C1=NN[C@H]2C(C(Cl)(Cl)Cl)=NCN12 ZINC000299867403 ED Annotated Anodyne Cc1nnsc1C1=NN[C@@H]2C(C(Cl)(Cl)Cl)=NCN12 ZINC000299867404 ED Annotated Anodyne CCOC(=O)CO[C@H]1CCN(C(C)=O)CC(=O)N(C)c2ccccc21 ZINC000299867539 ED Annotated Anodyne CCOC(=O)CO[C@@H]1CCN(C(C)=O)CC(=O)N(C)c2ccccc21 ZINC000299867540 ED Annotated Anodyne CO[C@H]1CN(C(=O)COC(C)=O)CCC(=O)N(C)c2ccccc21 ZINC000299869828 ED Annotated Anodyne CO[C@@H]1CN(C(=O)COC(C)=O)CCC(=O)N(C)c2ccccc21 ZINC000299869829 ED Annotated Anodyne C[C@H]1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000299870369 ED Annotated Anodyne C[C@@H]1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000299870372 ED Annotated Anodyne CC(C)COC(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](O)C1 ZINC000299871100 ED Annotated Anodyne CC(C)COC(=O)N1CC(=O)N(CCc2ccccc2)C[C@@H](O)C1 ZINC000299871101 ED Annotated Anodyne CCn1cc(CC(P(=O)(O)O)P(=O)(O)O)c2ccccc21 ZINC000299871219 ED Annotated Anodyne COc1cc(OC)c2c(C)c(C)[nH]c2c1C(=O)C(=O)N1CCOCC1 ZINC000299871252 ED Annotated Anodyne C[C@@H]1[C@@H](NC(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)CCC[C@H]1C ZINC000299872679 ED Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CC/N=c1/c(N2CCCC2)c(O)c1=O ZINC000299872680 ED Annotated Anodyne CC1=N[C@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OC[C@H]1CCCO1 ZINC000299876943 ED Annotated Anodyne CC1=N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OC[C@H]1CCCO1 ZINC000299876944 ED Annotated Anodyne CC[C@H](C)c1nc2nc(N3CC[C@@H](NC(C)=O)C3)ccc2nc1O ZINC000299877141 ED Annotated Anodyne CC[C@@H](C)c1nc2nc(N3CC[C@@H](NC(C)=O)C3)ccc2nc1O ZINC000299877142 ED Annotated Anodyne O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O)NCc1cccs1 ZINC000299877276 ED Annotated Anodyne O=C(NC1CC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000299877545 ED Annotated Anodyne O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000299877546 ED Annotated Anodyne O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000299877547 ED Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 ZINC000299880671 ED Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 ZINC000299880672 ED Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 ZINC000299880673 ED Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2ccco2)C1 ZINC000299881865 ED Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2ccco2)C1 ZINC000299881866 ED Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2ccco2)C1 ZINC000299881894 ED Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2ccco2)C1 ZINC000299881895 ED Annotated Anodyne CCOC(=O)C[C@H](C)Nc1nc(N2CC[C@@H](NC(C)=O)C2)ncc1C ZINC000299882314 ED Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1nc(N2CC[C@@H](NC(C)=O)C2)ncc1C ZINC000299882315 ED Annotated Anodyne CCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 ZINC000299882477 ED Annotated Anodyne CCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000299882478 ED Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000299882479 ED Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 ZINC000299882480 ED Annotated Anodyne CC[C@H](C)c1nc2nc(N(C[C@H](C)O)C[C@H](C)O)ccc2nc1O ZINC000299884524 ED Annotated Anodyne C=C1CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCOCC2)[C@@H]2[C@@H]1C[C@H]1O[C@]21C ZINC000299884695 ED Annotated Mild C=C1CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCOCC2)[C@@H]2[C@@H]1C[C@@H]1O[C@]12C ZINC000299884696 ED Annotated Mild C=C1CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCOCC2)[C@@H]2[C@@H]1C[C@@H]1O[C@@]12C ZINC000299884697 ED Annotated Mild C=C1CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCOCC2)[C@@H]2[C@@H]1C[C@H]1O[C@@]21C ZINC000299884698 ED Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299886146 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NC[C@H](C)O ZINC000299886147 ED Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299886314 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299886727 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@H](C)CO ZINC000299886728 ED Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCC1)S2 ZINC000003008031 ED Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCC1)S2 ZINC000003008032 ED Annotated Anodyne CC1CCN(C(=O)CSC2=NN3CCCC(=O)N=C3S2)CC1 ZINC000003009752 ED Annotated Anodyne CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N(C)C ZINC000003037114 ED Annotated Mild CCOC(=O)[C@@]1(C(F)(F)F)N=C(CC)OC(N2CCOCC2)=N1 ZINC000003103132 ED Annotated Anodyne O=C(NCCCNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F ZINC000003149704 ED Annotated Mild O=C(N/N=C/c1c(Cl)nc2ccccn2c1=O)c1cccnc1 ZINC000003167576 ED Annotated Reactive N#C/C(C(=O)CN1CCOCC1)=C1\NC(c2ccccc2)=CS1 ZINC000003171487 ED Annotated Reactive C=c1[nH][nH]c(=O)/c1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003181677 ED Annotated Anodyne C=c1[nH][nH]c(=O)/c1=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003188081 ED Annotated Anodyne CCCCCN(C(=O)NC(=O)Nc1nncs1)S(C)(=O)=O ZINC000003191016 ED Annotated Anodyne CN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O ZINC000003214678 ED Annotated Anodyne COC(=O)c1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC000003244711 ED Annotated Anodyne O=C(COC(=O)[C@H]1CCC(=O)N1)Nc1ccccc1OC(F)F ZINC000003244879 ED Annotated Anodyne O=C(COC(=O)[C@@H]1CCC(=O)N1)Nc1ccccc1OC(F)F ZINC000003244881 ED Annotated Anodyne O=C1c2ccccc2S(=O)(=O)N1Cc1cc(=O)n2ccsc2n1 ZINC000003249702 ED Annotated Anodyne COC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N[C@@]1(O)C(F)(F)Cl ZINC000003254662 ED Annotated Anodyne COCCNC(=S)N/N=C/c1c(OC)cc(OC)cc1OC ZINC000003262625 ED Annotated Mild Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C)o2)cc1 ZINC000003303965 ED Annotated Reactive O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)NC(=O)NCc1ccco1 ZINC000003308652 ED Annotated Anodyne Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NCC(F)(F)F)c1 ZINC000003320904 ED Annotated Anodyne CCN(CC)CCNS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1 ZINC000003340825 ED Annotated Anodyne COCCNC(=S)N/N=C/c1cc(OC)c(OC)cc1OC ZINC000003361466 ED Annotated Mild Cc1nc(CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cs1 ZINC000003412969 ED Annotated Reactive O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)NC1CCCCC1 ZINC000003422681 ED Annotated Anodyne CCC(=O)c1ccc(OCC(=O)Nc2nn3cnnc3s2)cc1 ZINC000003435571 ED Annotated Anodyne Cn1c(C2=C(N)N(Cc3ccccc3)CC2=O)[n+](C)c2ccccc21 ZINC000003444638 ED Annotated Mild CCN(CC(=O)NCc1cccs1)c1nnnn1-c1ccccc1 ZINC000003446800 ED Annotated Anodyne COc1ccc(N2CC(=O)C(c3n(C)c4ccccc4[n+]3C)=C2N)cc1 ZINC000003455746 ED Annotated Mild CC(C)(C)[C@H](C(=O)OC1CCCC1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O ZINC000301055008 ED Annotated Anodyne CC(C)(C)[C@H](C(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O ZINC000301055009 ED Annotated Anodyne CC(C)(C)[C@H](C(=O)OC1CCCC1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)O ZINC000301055010 ED Annotated Anodyne O=C(O)C1=C/C(=C\C=N/CCc2ccc(O)cc2)C[C@@H](C(=O)O)N1 ZINC000030726461 ED Annotated Mild O=C(O)C1=C/C(=C/C=N\CCc2ccc(O)cc2)C[C@H](C(=O)O)N1 ZINC000030726466 ED Annotated Mild in-vitro biogenic O=C(O)C1=C/C(=C/C=N\CCc2ccc(O)c(O)c2)C[C@H](C(=O)O)N1 ZINC000030726474 ED Annotated Mild in-vitro biogenic COC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O ZINC000030726833 ED Annotated Mild in-vitro biogenic C#C/C=C\[C@H](O)CCC/C=C\C#CC#CCCCC#CC#C[C@H](O)CO ZINC000030731616 ED Annotated Mild in-vitro C#C/C=C\[C@H](O)CCC/C=C\C#CC#CCCCC#CC#C[C@@H](O)CO ZINC000030731619 ED Annotated Mild in-vitro C#C/C=C\[C@@H](O)CCC/C=C\C#CC#CCCCC#CC#C[C@H](O)CO ZINC000030731623 ED Annotated Mild in-vitro C#C/C=C\[C@@H](O)CCC/C=C\C#CC#CCCCC#CC#C[C@@H](O)CO ZINC000030731627 ED Annotated Mild in-vitro C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)[C@H](C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000031158795 ED Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)/C=C\[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000031162182 ED Annotated Mild CO[C@@H]1C(=O)CC[C@]2(O)CS[C@H](CC=C(C)C)[C@](C)(O)[C@@]12O ZINC000031164256 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1CCC(=C)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000031166108 ED Annotated Mild biogenic CCC/C=C/C=C/C1=C(CO)[C@@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O ZINC000031169335 ED Annotated Mild O=C1c2c(O)ccc3c2[C@H](c2ccc(O)c4c2[C@H]3[C@H]2O[C@H]2C4=O)[C@H]2O[C@@H]12 ZINC000031372637 ED Annotated Anodyne CC[C@H]1C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000031500899 ED Annotated Anodyne COC1=C(OC)[C@@]23CCc4ccc(OC)c(O)c4[C@@]2(CCN3)CC1=O ZINC000031716225 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12 ZINC000031794984 ED Annotated Mild in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)/C(=C/C)CO)[C@@H]12 ZINC000031861352 ED Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@H]2C/C(C=O)=C\[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C/C[C@@H]12 ZINC000031862512 ED Annotated Reactive C=C1C(=O)O[C@H]2C/C(C=O)=C\[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C\C[C@@H]12 ZINC000031862515 ED Annotated Reactive C=C1C(=O)O[C@H]2C/C(C=O)=C/[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C/C[C@@H]12 ZINC000031862518 ED Annotated Reactive COC(=O)C1=C(N)C2=C(N)Oc3ccccc3[C@@H]2CC1=C(C#N)C#N ZINC000031871042 ED Annotated Reactive N#CC1(C#N)N[C@@H](c2ccsc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000031871201 ED Annotated Mild CCCC(=O)N[C@@](Nc1cc(C)ccn1)(C(=O)OCC)C(F)(F)F ZINC000031871519 ED Annotated Anodyne CCCC(=O)N[C@](Nc1cc(C)ccn1)(C(=O)OCC)C(F)(F)F ZINC000031871521 ED Annotated Anodyne CCCC(=O)N[C@](C(=O)OCC)(N1CCOCC1)C(F)(F)F ZINC000031871527 ED Annotated Anodyne CCCC(=O)N[C@@](C(=O)OCC)(N1CCOCC1)C(F)(F)F ZINC000031871529 ED Annotated Anodyne COc1ccc(/C=C2\N=C(SC)N(CN3CCOCC3)C2=O)cc1 ZINC000031872361 ED Annotated Anodyne COC(=O)[C@@]12CSC[C@]1(C(=O)OC)N[C@@H](c1ccccc1O)C2 ZINC000031872593 ED Annotated Clean N#CC1(C#N)[C@@H](c2ccccc2)N[C@@]23CCCC[C@@H]2[C@]1(C#N)C(=O)N3 ZINC000031900557 ED Annotated Mild N#CC1(C#N)[C@@H](c2ccccc2)N[C@@]23CCCC[C@H]2[C@]1(C#N)C(=O)N3 ZINC000031900561 ED Annotated Mild COc1cc2c(cc1OC)[C@H]1[C@H](O)[C@H](OC)C=C3CC[N+](C)(C2)[C@H]31 ZINC000031904867 ED Annotated Bother CCOC(=O)/C(C)=C\[C@@]1(C)O[C@@H](C)[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O ZINC000031905808 ED Annotated Anodyne NC(N)=N/N=C\c1c(-c2cccc([N+](=O)[O-])c2)nc2sccn12 ZINC000031909817 ED Annotated Mild Cn1cc2c3c1C(=O)C(NCCc1ccc(O)cc1)=CC3=[N+](C)CC2 ZINC000032017005 ED Annotated Mild CCOC(=O)/C(O)=C(/C(=O)OCC)n1c(C)[n+](C)c2ccccc21 ZINC000032067902 ED Annotated Anodyne CC1(C)[C@@H](CO)CC[C@@]1(C)Cn1cc(Br)c(=O)[nH]c1=O ZINC000032072044 ED Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)/C(=C\C)CO)[C@@H]12 ZINC000032156266 ED Annotated Anodyne C=C(C)[C@@H]1CC(=O)CC2=C(C1)[C@@H]1C(=O)O[C@@H]3C[C@](C)(O)[C@H](C2=O)[C@@H]31 ZINC000032296533 ED Annotated Mild C=C1C(=O)[C@]23[C@@H]4[C@@]5(CCCC(C)(C)[C@H]5C[C@H]2O)CO[C@]4(O)C[C@@H]1[C@H]3O ZINC000032296803 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@H](CC1=O)C(C)(C)[C@H]2[C@H](O)C3=O ZINC000032296830 ED Annotated Mild CC[C@H](C)[C@H](O)/C(C)=C/[C@](C)(O)c1oc(=O)c(C)c(O)c1CO ZINC000032298505 ED Annotated Anodyne CN(C)[C@@H](CNc1nc(-c2cnn(C)c2)cnc1N)c1ccccn1 ZINC000032553553 ED Annotated Anodyne CN(C)[C@H](CNc1nc(-c2cnn(C)c2)cnc1N)c1ccccn1 ZINC000032553555 ED Annotated Anodyne COc1cc(/C=N\n2nnnc2N)ccc1OCc1ccc(F)cc1 ZINC000032619728 ED Annotated Mild CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC000032809005 ED Annotated Anodyne CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC000032809008 ED Annotated Anodyne O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1cccnc1 ZINC000033040446 ED Annotated Reactive N=C1NC(=O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1 ZINC000033295970 ED Annotated Anodyne in-vitro CCN(C(=O)CN1CCOCC1)C1(C)C(=O)c2ccccc2C1=O ZINC000033317461 ED Annotated Clean Cc1ccc(S(=O)(=O)Oc2ccc(/C=N\NC(N)=O)cc2)cc1 ZINC000033400607 ED Annotated Reactive O=C1/C(=C/c2cccs2)N=C(S)N1CN1CCC[C@@H](CO)C1 ZINC000033493192 ED Annotated Anodyne C[C@@H](O)Cn1cnc2c(Cl)nc(I)nc21 ZINC000033504524 ED Annotated Anodyne C[C@H](O)Cn1cnc2c(Cl)nc(I)nc21 ZINC000033504526 ED Annotated Anodyne CC[C@@H]1Oc2ccccc2N(CC(=O)N2CCN(CC)CC2)C1=O ZINC000033541126 ED Annotated Anodyne CC[C@H]1Oc2ccccc2N(CC(=O)N2CCN(CC)CC2)C1=O ZINC000033541127 ED Annotated Anodyne O=C(/C=C/c1ccco1)NCC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000033684458 ED Annotated Reactive CC1=CC(=O)C[C@H]2[C@@H]1CC[C@@H](C)[C@]21C[C@H](C2=C[C@H](O)OC2=O)OC1=O ZINC000033753373 ED Annotated Mild COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1[C@@H](O)CO[C@@H]1O2 ZINC000033821191 ED Annotated Anodyne O=C(O)Cn1c(/C=C/c2cnc[nH]2)nc(Cc2ccc(O)cc2)c1O ZINC000033821369 ED Annotated Clean O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@@H]1OCCO ZINC000033828967 ED Annotated Bother O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@H]1OCCO ZINC000033828968 ED Annotated Bother C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CC=C[C@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000033830073 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@]12CC=C[C@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000033830074 ED Annotated Mild in-man C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000033833342 ED Annotated Anodyne C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000033833344 ED Annotated Anodyne C=C1OC(=O)C2=C1O[C@@H]1[C@H](O)[C@]3(O)CCCC[C@@H]3[C@](C)(C2=O)[C@@H]1C ZINC000033894987 ED Annotated Mild in-vitro C=C1OC(=O)C2=C1O[C@@H]1[C@H](O)[C@]3(O)CCCC[C@@H]3[C@](C)(C2=O)[C@H]1C ZINC000033894988 ED Annotated Mild in-vitro C[C@H]1C(=O)c2cc(O)c3c(c2[C@@H](O)[C@H]1O)C(=O)c1cccc(O)c1-3 ZINC000033895072 ED Annotated Anodyne in-vitro C[C@H]1C(=O)c2cc(O)c3c(c2[C@@H](O)[C@@H]1O)C(=O)c1cccc(O)c1-3 ZINC000033895073 ED Annotated Anodyne in-vitro C[C@@H]1OC(=O)C2=C1O[C@@H]1[C@H](O)[C@]3(O)CCCC[C@@H]3[C@](C)(C2=O)[C@@H]1C ZINC000033895319 ED Annotated Mild in-vitro C[C@@H]1OC(=O)C2=C1O[C@@H]1[C@H](O)[C@]3(O)CCCC[C@@H]3[C@](C)(C2=O)[C@H]1C ZINC000033895320 ED Annotated Mild in-vitro COc1c2c(cc3c1OCO3)[C@@]13CCN(C2)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]13 ZINC000033903740 ED Annotated Anodyne in-vitro biogenic CC(=O)N1C2(C=C[C@]1(C)C(=O)NCCN1CCOCC1)CCCCC2 ZINC000033913744 ED Annotated Anodyne CC(=O)N1C2(C=C[C@@]1(C)C(=O)NCCN1CCOCC1)CCCCC2 ZINC000033913745 ED Annotated Anodyne C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000033950384 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)/C(=C/C)CO)[C@H]12 ZINC000033950407 ED Annotated Anodyne C/C=C(/CO)C(=O)OC[C@H]1CCN2CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000033950408 ED Annotated Anodyne C/C=C1/C[N+]2(C)CC[C@]34C(=O)c5ccccc5N3[C@@H](CO)[C@H]1C[C@@H]42 ZINC000033955110 ED Annotated Bother CC(=O)N[C@H]1Oc2ccc(CCO)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000033997752 ED Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)c1c[nH]c2c1C(=N)C(Cl)=C(N)C2=O ZINC000034007740 ED Annotated Mild CC(=O)OC[C@@H](OC(C)=O)c1c[nH]c2c1C(=N)C(Cl)=C(N)C2=O ZINC000034007741 ED Annotated Mild CC(C)S(=O)(=O)NCCCCCCCNS(=O)(=O)C(C)C ZINC000034021235 ED Annotated Anodyne O=C1N/C(=N\NC(=O)c2ccncc2)N/C1=C\c1cccc(Cl)c1 ZINC000034072950 ED Annotated Reactive CCOC(=O)C1=C(C)/C(=C(\C)NNC(=O)c2cccnc2)N=C1C ZINC000034112580 ED Annotated Reactive OCCO[C@@H]1C[C@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F ZINC000034118432 ED Annotated Reactive COC(OC)[C@]1(O)COc2cc(O)ccc2-c2cc(O)c(O)cc2C1 ZINC000034165789 ED Annotated Clean in-vitro biogenic CC(=O)C1=COC[C@H]2[C@@H]3C[C@@]4(C(=O)N(C)c5ccccc54)[C@H](C[C@@H]12)N3 ZINC000034245510 ED Annotated Mild in-vitro biogenic C[C@H](NC(=O)C[S@@](=O)C1c2ccccc2-c2ccccc21)C(N)=O ZINC000034280690 ED Annotated Anodyne C[C@H](NC(=O)C[S@](=O)C1c2ccccc2-c2ccccc21)C(N)=O ZINC000034280692 ED Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2S(=O)(=O)N1CCCCc1ccncc1 ZINC000034384091 ED Annotated Anodyne CC[C@H](C)[C@@H](O)/C(C)=C/[C@](C)(O)c1oc(=O)c(C)c(O)c1CO ZINC000034404084 ED Annotated Anodyne O=C(Cn1nc2ccccc2n1)NC[C@@H]1CCCN2CCCC[C@H]12 ZINC000034404226 ED Annotated Anodyne C[C@]1(O)CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)[C@H]1O ZINC000034432930 ED Annotated Clean CO[C@@H]1C(=O)CC[C@](O)(CCl)[C@@]1(O)[C@]1(C)O[C@H]1CC=C(C)C ZINC000034468369 ED Annotated Reactive CCC(CO)(CO)NCc1cc2c(o1)C(=O)c1ccccc1C2=O ZINC000034494574 ED Annotated Clean COc1ccc(C(=O)O)c2c1C[C@@](C)([C@@H]1CC[C@](C)(O)[C@H](O)C1)O2 ZINC000034503417 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000034504442 ED Annotated Mild CO[C@H]1OC2=CC(=O)CC[C@@]2(OC)[C@@H]2Oc3cc4c(cc3[C@H]12)OCO4 ZINC000034512660 ED Annotated Mild CC1=C(C=O)[C@@H]2C[C@@H]3N[C@@H](C[C@@]34C(=O)N(C)c3ccccc34)[C@@H]2CO1 ZINC000034516816 ED Annotated Reactive in-vitro biogenic O=C(/C=C\c1ccc(O)cc1)O[C@@H]1C[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@H]32 ZINC000034532746 ED Annotated Anodyne in-vitro biogenic C[C@H]1C/C=C/C(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O[C@H](C)CC(=O)O1 ZINC000034533420 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4C=N[C@@H]2C(=O)N(C)[C@H]3C1)OCO5 ZINC000034569724 ED Annotated Anodyne CNC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nc(C(=O)O)cn12 ZINC000034633873 ED Annotated Anodyne O=C1C2=N[C@@H]3C[C@@]45C[C@@H](C(=O)C=C4S3)N3CCc4c[nH]c1c4C3=C25 ZINC000034646541 ED Annotated Mild C[S@@](=O)c1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 ZINC000034647225 ED Annotated Anodyne C[S@](=O)c1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 ZINC000034647226 ED Annotated Anodyne CC(C)N1CCN(C(=O)c2cnc(CN3CCCCC3)cn2)CC1 ZINC000034658776 ED Annotated Anodyne CC(C)N1CCN(C(=O)c2csc(CN3CCOCC3)c2)CC1 ZINC000034658998 ED Annotated Anodyne Oc1cc(O)c(-c2[nH]ncc2N2CCNCC2)cc1Br ZINC000034717857 ED Annotated Anodyne NS(=O)(=O)c1ccccc1NSC(=S)N1CCOCC1 ZINC000034717888 ED Annotated Anodyne CC(=O)C[C@@H]1C[C@@H]2N[C@@H](C[C@@]23C(=O)N(C)c2ccccc23)[C@@H]1CO ZINC000034753939 ED Annotated Anodyne CC(=O)Nc1nc2c(N)cccc2n2c(=O)n(-c3ccccc3)nc12 ZINC000034800801 ED Annotated Anodyne COC(=O)C1=C(N2CCC2)[C@H]2c3ccccc3S[C@@]12C(=O)OC ZINC000034819624 ED Annotated Anodyne CC(C)CCN1C[C@H](/C(O)=N/CCCN2CCOCC2)CC1=O ZINC000034858292 ED Annotated Mild CC(C)CCN1C[C@@H](/C(O)=N/CCCN2CCOCC2)CC1=O ZINC000034858293 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000034892342 ED Annotated Mild in-vitro biogenic C=C1CS[C@@H]([C@@H](C=O)NC(=O)Cc2cccs2)N=C1C(=O)O ZINC000034932135 ED Annotated Anodyne in-vitro Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccc(NCCO)cc21 ZINC000034949960 ED Annotated Anodyne C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000034950430 ED Annotated Anodyne C=C(CO)C(=O)OC/C1=C\C[C@@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C/CC1 ZINC000034950471 ED Annotated Mild NC(=S)N/N=C1\CCS(=O)(=O)c2ccc(Br)cc21 ZINC000034962197 ED Annotated Mild CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC2=O)c1C ZINC000003516458 ED Annotated Anodyne Nc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1 ZINC000003525554 ED Annotated Reactive CC(C)NC(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000003530142 ED Annotated Anodyne COc1cc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc(OC)c1O ZINC000003582034 ED Annotated Mild COc1cc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc(OC)c1O ZINC000003582049 ED Annotated Mild COc1cc(CS(=O)(=O)c2cccc[n+]2[O-])cc(OC)c1OC ZINC000003587064 ED Annotated Anodyne COC(=O)[C@H]1[C@H](C(=O)OC)C1(Br)CBr ZINC000003588375 ED Annotated Reactive CCOC(=O)[C@H](C)c1nc2cc(F)c(N3CCOCC3)cc2[nH]c1=O ZINC000003588552 ED Annotated Anodyne CCOC(=O)[C@@H](C)c1nc2cc(N3CCOCC3)c(F)cc2[nH]c1=O ZINC000003588554 ED Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CO)no1 ZINC000003590216 ED Annotated Anodyne Oc1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596912 ED Annotated Mild N#Cc1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596914 ED Annotated Mild Fc1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596915 ED Annotated Mild COc1ccc(-c2nnnn2CC#CI)cc1 ZINC000003596923 ED Annotated Mild COc1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596924 ED Annotated Mild OCCOCn1cnc2c(O)n3cc(-c4ccc(O)cc4)nc3nc21 ZINC000003626346 ED Annotated Anodyne Cc1nnc(NC(=O)N[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000003628180 ED Annotated Anodyne Cc1c(F)c(N2CC[C@@H](N)C2)cc2c(C3CC3)cc(C(=O)O)c(=O)n12 ZINC000003637714 ED Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)cc2c(C3CC3)cc(C(=O)O)c(=O)n12 ZINC000003637716 ED Annotated Anodyne Cc1c(N2CC(N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003637745 ED Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000003641782 ED Annotated Anodyne CC[C@@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@H]([C@@H]2[C@H]5O)N3[C@H]1O ZINC000003643229 ED Annotated Anodyne OC/C=C/c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](CO)O2 ZINC000003645759 ED Annotated Clean Cc1c(N2CC[C@@H](O)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003646688 ED Annotated Anodyne Cc1c(N2CC[C@H](O)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003646690 ED Annotated Anodyne Cc1ccc(Cn2cnc3c(N(C)C)nc(S(C)(=O)=O)nc32)cc1 ZINC000003647019 ED Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCN(C)CC2)[nH]c1=O ZINC000003648076 ED Annotated Anodyne OC/C=C/c1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 ZINC000003651079 ED Annotated Clean in-vitro biogenic CCC(=O)N1CCN(CC/N=C/C2=C(O)CC(C)(C)CC2=O)CC1 ZINC000003682094 ED Annotated Mild C[C@H]1C(SCc2cccnc2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)N)[C@@H]12 ZINC000003777807 ED Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccc(Br)cc2)C(=O)C1=O ZINC000003778966 ED Annotated Anodyne CCC[C@H]1O[C@H](CC(=O)O)C[C@@H]2C(=O)c3cccc(O)c3C(=O)[C@]21O ZINC000003782424 ED Annotated Clean CC1(C)C(=O)c2ccc(C#N)cc2[C@@H](Oc2ccc(=O)[nH]n2)[C@@H]1O ZINC000003783952 ED Annotated Mild Cn1nc(O[C@@H]2c3cc(C#N)ccc3C(=O)C(C)(C)[C@H]2O)ccc1=O ZINC000003783955 ED Annotated Mild O=C1C[C@](O)(Cc2ccccc2)C(O)[C@@](O)(Cc2ccccc2)C1 ZINC000003785912 ED Annotated Anodyne O=[N+]([O-])c1nccn1C[C@H](O)CN[C@H]1CCCC[C@@H]1Br ZINC000003787421 ED Annotated Reactive O=[N+]([O-])c1nccn1C[C@H](O)CN[C@@H]1CCC[C@H]1Br ZINC000003787425 ED Annotated Reactive CCOC(=O)NC(=O)C[C@@H]1C(=O)N(C)C(=O)c2ccc(Cl)cc21 ZINC000003793660 ED Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2S(=O)(=O)N1CCCCc1ccncc1 ZINC000003794298 ED Annotated Anodyne C=CCOc1ccc(C2=N[C@H](C(=O)NO)CO2)cc1OC(F)(F)F ZINC000003817931 ED Annotated Mild O=C1NC(=O)C2(CCC(=O)N2c2ccc(-c3ccccc3)cc2)C(=O)N1 ZINC000003819191 ED Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2cn[nH]n2)c(F)c1 ZINC000003821137 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C#N)c3)c(F)c2)C(=O)O1 ZINC000003822596 ED Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nccs3)[C@H](C)[C@H]12 ZINC000003825023 ED Annotated Clean O=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1[C@H]3N1CC=CC1=O ZINC000003825101 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C#N)c3)c(F)c2)C(=O)O1 ZINC000003828788 ED Annotated Mild O=C(Cc1ccc(I)cc1)NC[P@@H](=O)O ZINC000003870423 ED Annotated Anodyne in-vivo O=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1 ZINC000003881291 ED Annotated Anodyne in-vitro O=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)c(O)c1 ZINC000003881294 ED Annotated Anodyne in-vivo Cc1cc(NCCN)nc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC000003893887 ED Annotated Anodyne O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1 ZINC000003896573 ED Annotated Anodyne O=C1O[C@H](OC(=O)c2ccccc2F)C(N2CCOCC2)=C1Cl ZINC000003903575 ED Annotated Anodyne O=C1O[C@@H](OC(=O)c2ccccc2F)C(N2CCOCC2)=C1Cl ZINC000003903576 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCc1ccccc1 ZINC000003905689 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCc1ccccc1 ZINC000003905690 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccc1O ZINC000003905707 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1O ZINC000003905708 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccn1 ZINC000003905711 ED Annotated Anodyne O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccn1 ZINC000003905712 ED Annotated Anodyne COC(=O)c1cnn2c(O)c3c(nc12)C(=O)N(Cc1ccccc1)C3 ZINC000003913620 ED Annotated Anodyne C[C@@H]1CN1C1=CC(=O)c2c(c(COC(N)=O)c3n2C[C@H]2C[C@@H]32)C1=O ZINC000003915734 ED Annotated Anodyne COCCN/C(N)=N/c1nc(-c2cccc(CNC(C)=O)n2)cs1 ZINC000003918225 ED Annotated Mild COC1=CC(=O)c2c(c(COC(C)=O)c3n2CC[C@H]3OC(C)=O)C1=O ZINC000003918315 ED Annotated Mild CCNC(=O)OCc1c2c(n3c1[C@H](O)CC3)C(=O)C(C)=C(OC)C2=O ZINC000003918316 ED Annotated Mild C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(C)CC[C@H]5C[C@]5([C@H]43)[C@@]2(O)CC1 ZINC000003922438 ED Annotated Mild COCCN/C(N)=N\c1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000003923006 ED Annotated Mild CC(=O)O[P@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OC(C)=O ZINC000003941177 ED Annotated Anodyne CCCCN/C(N)=N\c1nc(-c2cccc(CNC(C)=O)n2)co1 ZINC000003943840 ED Annotated Mild CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@]23O[C@]12C(=O)c1c(O)cccc1C3=O ZINC000003946078 ED Annotated Clean CC(C)(C)CC(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1 ZINC000003949866 ED Annotated Mild CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 ZINC000003955902 ED Annotated Anodyne CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 ZINC000003955917 ED Annotated Anodyne O=C(c1cnccn1)N1CCC2(CCCN(c3ncccn3)C2)CC1 ZINC000003956108 ED Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ncccn1)C2 ZINC000003956117 ED Annotated Anodyne Cn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000003956167 ED Annotated Anodyne CS(=O)(=O)N1CCC[C@@]2(CCN(Cc3ccc(C#N)cc3)C2)C1 ZINC000003956185 ED Annotated Mild CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3csnn3)C2)C1 ZINC000003956193 ED Annotated Anodyne O=C(c1csnn1)N1CCC2(CCCN(c3ncccn3)C2)CC1 ZINC000003956259 ED Annotated Anodyne O=C(c1csnn1)N1CCC2(CC1)CN(Cc1ccncc1)C2 ZINC000003956266 ED Annotated Anodyne COc1ccccc1CN1CC[C@@]2(CCCN(S(C)(=O)=O)C2)C1 ZINC000003956305 ED Annotated Anodyne O=C(c1csnn1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000003956326 ED Annotated Anodyne CSCC[C@@H]1NC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](C)COC1=O ZINC000003965020 ED Annotated Anodyne CC(=S)NC[C@H]1CN(c2ccc3c(c2)C[C@H](C)N3C=O)C(=O)O1 ZINC000003965105 ED Annotated Anodyne COc1c2c(cc3c1OCO3)[C@@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@@H]3O ZINC000003978346 ED Annotated Anodyne in-vitro COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@@H]3O ZINC000003978347 ED Annotated Anodyne in-vitro biogenic CSC(=N)c1ccc(S[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000003979241 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C=O)C3)C(=O)O1 ZINC000003980072 ED Annotated Anodyne COCCN/C(N)=N\c1nc(-c2cccc(CNC(C)=O)c2)cs1 ZINC000003981328 ED Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3nncs3)c(F)c2)C(=O)O1 ZINC000003981342 ED Annotated Anodyne CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1cscn1 ZINC000003981685 ED Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000003988466 ED Annotated Anodyne CC(=S)NC[C@H]1CN(c2ccc3c(c2)C[C@@H](C)N3C=O)C(=O)O1 ZINC000003994576 ED Annotated Anodyne CC(=S)NC[C@H]1CN(c2ccc3c(c2)OC[C@@H](C)N3C=O)C(=O)O1 ZINC000003994578 ED Annotated Anodyne COC(=O)c1c(O)c2ncsc2n(-c2ccc(OC)cc2)c1=O ZINC000035010299 ED Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](O)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000035032222 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C(=O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000035032236 ED Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)C[C@@H]4C(C)(C)CCC(=O)[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O ZINC000035032238 ED Annotated Mild CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@H]2CC(=O)S[S@]2=O)O1 ZINC000035034086 ED Annotated Reactive CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2CC(=O)S[S@]2=O)O1 ZINC000035034088 ED Annotated Reactive CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@H]2CC(=O)S[S@@]2=O)O1 ZINC000035034090 ED Annotated Reactive CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2CC(=O)S[S@@]2=O)O1 ZINC000035034092 ED Annotated Reactive CN(C)c1nc2n(c(=O)n1)CCN2C(=O)Nc1ccc(Cl)cc1 ZINC000035048284 ED Annotated Anodyne COc1cc2c(cc1C(N)=O)[C@]13C[C@H]4OCO[C@H]4C=C1CCN3CC2 ZINC000035066444 ED Annotated Anodyne Cc1ccc(S(=O)(=O)Cc2nc(C)n(CCO)c2[N+](=O)[O-])cc1 ZINC000035075783 ED Annotated Bother Cc1nc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])n1CCO ZINC000035075791 ED Annotated Bother Cc1nc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])n1C[C@@H](C)O ZINC000035075793 ED Annotated Bother Cc1nc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])n1C[C@H](C)O ZINC000035075794 ED Annotated Bother C[S@@](=O)/C=C/C(=O)N[C@@H]1CCCN1C(=O)/C=C/c1ccccc1 ZINC000035086363 ED Annotated Anodyne C[S@](=O)/C=C/C(=O)N[C@@H]1CCCN1C(=O)/C=C/c1ccccc1 ZINC000035086365 ED Annotated Anodyne C[S@@](=O)/C=C/C(=O)N[C@H]1CCCN1C(=O)/C=C/c1ccccc1 ZINC000035086367 ED Annotated Anodyne C[S@](=O)/C=C/C(=O)N[C@H]1CCCN1C(=O)/C=C/c1ccccc1 ZINC000035086369 ED Annotated Anodyne O=C(CN1CC[C@H](C(F)(F)F)C1)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000035087382 ED Annotated Anodyne C[C@H]1C[C@@H]([C@@H]2CC[C@@H]3N2C[C@H](O)CC[C@]32C[C@@H](C)C(=O)O2)OC1=O ZINC000035282391 ED Annotated Anodyne in-vitro biogenic COc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000035323128 ED Annotated Anodyne O=C(N/N=C\c1ccncc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O ZINC000035404961 ED Annotated Reactive COc1ccc(OC)c(CNc2nc3nc4c(c(O)n3n2)CCC4)c1 ZINC000035562372 ED Annotated Anodyne C[C@H](O)[C@@]1(C)O[C@H](O)[C@]2(C)c3c([nH]cc(-c4ccccc4)c3=O)O[C@H]12 ZINC000035825147 ED Annotated Anodyne CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O ZINC000035857996 ED Annotated Anodyne COCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)s1 ZINC000035875905 ED Annotated Anodyne O[C@@H]1[C@@H](O)[C@H](NCc2ccc(Oc3ccccc3)cc2)C=C[C@H]1O ZINC000035875932 ED Annotated Anodyne CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)nc2)CC1 ZINC000035876045 ED Annotated Anodyne CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCOCC2)[C@H]13 ZINC000035878041 ED Annotated Anodyne COC1=CC[C@]23CCN(C)[C@]2(C[C@@H](O)c2ccc(OC)c(O)c23)C1=O ZINC000035906456 ED Annotated Mild NC(N)=NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000036107574 ED Annotated Mild CCN1CCN(C)C[C@H](NC(=O)c2cc(Cl)cc3c2OCC3)C1 ZINC000036107777 ED Annotated Anodyne CCN1CCN(C)C[C@H](NC(=O)c2cc(Cl)cn3ccnc23)C1 ZINC000036107779 ED Annotated Anodyne COC(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/c2ccccc2)c1O ZINC000036143773 ED Annotated Clean CNC(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/c2ccccc2)c1O ZINC000036143776 ED Annotated Clean O=C(Nc1nc2ccccc2n1CCO)c1cccc([N+](=O)[O-])c1 ZINC000036184959 ED Annotated Bother CN[C@H](CN[C@H](CN)Cc1ccc(O)cc1)Cc1ccc(O)cc1 ZINC000036216354 ED Annotated Anodyne CN1CC[C@]23c4c5cc6sc(N)nc6c4O[C@@H]2[C@@H](O)CC[C@@H]3[C@H]1C5 ZINC000036221112 ED Annotated Anodyne COc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)c(OC)c1 ZINC000036338667 ED Annotated Bother Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2cc3c(cc21)OCO3 ZINC000036338809 ED Annotated Clean CC(/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)C2=CO1)=C\[C@@H](C)CCO ZINC000036374707 ED Annotated Mild CC(/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)C2=CO1)=C\[C@H](C)CCO ZINC000036374710 ED Annotated Mild C=CC[C@]1(C(=O)N(C)C)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375757 ED Annotated Mild COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1 ZINC000036377722 ED Annotated Anodyne N=C1N=C(O)/C(=C2\CCNC(=O)c3[nH]c4ccc([N+](=O)[O-])cc4c32)N1 ZINC000036377742 ED Annotated Bother CC[C@@H](C)C[C@@H](C)/C=C\[C@H]1OC2=C(C(=O)O[C@]2(C)O)[C@@H](O)[C@H]1O ZINC000036378754 ED Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C\[C@H]1OC2=C(C(=O)O[C@]2(C)O)[C@@H](O)[C@H]1O ZINC000036378755 ED Annotated Anodyne CC[C@@H](C)C[C@H](C)/C=C\[C@H]1OC2=C(C(=O)O[C@]2(C)O)[C@@H](O)[C@H]1O ZINC000036378756 ED Annotated Anodyne CC[C@H](C)C[C@H](C)/C=C\[C@H]1OC2=C(C(=O)O[C@]2(C)O)[C@@H](O)[C@H]1O ZINC000036378757 ED Annotated Anodyne CCN1C(NCCOC)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000036379131 ED Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3cnc(N)nc3)c12 ZINC000036380197 ED Annotated Anodyne CCN(CC)/[N+]([O-])=N/OCOC(=O)c1ccccc1OC(C)=O ZINC000036380527 ED Annotated Clean C[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O ZINC000036382376 ED Annotated Anodyne C[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O ZINC000036382377 ED Annotated Anodyne CC(C)[C@H]1COCCS(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000036383052 ED Annotated Bother CC1(C)OC(=O)C=C(C[C@@H]2NS(=O)(=O)O[C@H]3CCCC[C@H]23)O1 ZINC000036383255 ED Annotated Anodyne COc1ccc(C(=O)c2c3ccccc3[n+]([O-])n2CCCN)cc1 ZINC000036383484 ED Annotated Anodyne COc1ccc(C(=O)c2c3ccccc3[n+]([O-])n2CCC(N)=O)cc1 ZINC000036383491 ED Annotated Anodyne CCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000036383541 ED Annotated Anodyne Cc1nnc(NC(=O)N[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000036384084 ED Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036384258 ED Annotated Anodyne COc1cccc(CN2CCN(Cc3ccon3)C[C@H]2CCO)c1 ZINC000036385572 ED Annotated Anodyne Cc1ccc(CN2CCN(Cc3cn(C)nc3C)C[C@H]2CCO)o1 ZINC000036385707 ED Annotated Anodyne Cc1ccc(C(=O)CN(CCCC(N)=O)C(=O)c2ccncc2)cc1 ZINC000036387402 ED Annotated Anodyne O=C(Nc1ccon1)c1[nH]cnc1C(=O)N1CCc2ccccc2C1 ZINC000036387779 ED Annotated Anodyne CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)Nc1ccon1 ZINC000036387784 ED Annotated Anodyne C[C@H](OC(=O)NCCCN1CCOCC1)[C@@H]1O[C@@]2(C)CCC[C@@H]1O2 ZINC000036388060 ED Annotated Anodyne O=C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]2OCCN12 ZINC000036389447 ED Annotated Bother O=C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]2OCCN12 ZINC000036389448 ED Annotated Bother O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@H]32 ZINC000036422877 ED Annotated Anodyne COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(O)ccc(O)c1C2=O ZINC000036433453 ED Annotated Clean CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)NCc1ccco1 ZINC000036440284 ED Annotated Anodyne CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)NCc1ccco1 ZINC000036440285 ED Annotated Anodyne C=C(C)[C@H]1[C@@H]2C[C@H](C)[C@H]3CC[C@H](C)[C@@]4(O)C(=O)[C@]1(O)[C@@](C)(O)C(=O)[C@]234 ZINC000036440314 ED Annotated Mild C=CC[C@@H]1Oc2cc3c(=O)c(C(=O)O)c[nH]c3nc2N2CCC[C@@H]12 ZINC000036471711 ED Annotated Mild C=CC[C@H]1Oc2cc3c(=O)c(C(=O)O)c[nH]c3nc2N2CCC[C@@H]12 ZINC000036471714 ED Annotated Mild C=CC[C@@]12CCCN1c1nc3[nH]cc(C(=O)O)c(=O)c3cc1OC2 ZINC000036471827 ED Annotated Mild C=CC[C@]12CCCN1c1nc3[nH]cc(C(=O)O)c(=O)c3cc1OC2 ZINC000036471828 ED Annotated Mild O=C(O)c1cn(C2CC2)c2nc3c(cc2c1=O)OC[C@@H]1CCCN31 ZINC000036472063 ED Annotated Anodyne Cc1cccc(/C(=N\O)[C@H](O)CN2CCN(c3ccccn3)CC2)c1 ZINC000036475918 ED Annotated Mild Cc1cccc(/C(=N\O)[C@@H](O)CN2CCN(c3ccccn3)CC2)c1 ZINC000036475919 ED Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000036532671 ED Annotated Mild COC(=O)C1(C(=O)OC)C/C=C/Cc2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000037867816 ED Annotated Bother COC1=C2CC3=c4cc(OC)c(OC)cc4=CN(C)C3=C2C=CC1=O ZINC000377364986 ED Annotated Mild C/C(=N\C(=O)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)N(C)C ZINC000377438945 ED Annotated Mild CCOC(=O)CN1C=C(CO)/C(=C/N=Nc2ncccn2)C(O)=C1C ZINC000377449372 ED Annotated Clean CCOC(=O)CN1C=C(CO)/C(=C\N=Nc2ncccn2)C(O)=C1C ZINC000377449385 ED Annotated Clean CC/N=C(/N=NC=c1ccc(=CC=C2N(C)C=CN2C)cc1)NCC ZINC000377466651 ED Annotated Mild O=[N+]([O-])c1ccc(ON[N+](=O)N2CCN(c3ccccc3)CC2)nc1 ZINC000377797408 ED Annotated Bother O=[n+]1[nH]c2c(Cl)cnn2c2cc(I)ccc21 ZINC000377797786 ED Annotated Anodyne COc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377797788 ED Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(O)ccc21 ZINC000377797802 ED Annotated Anodyne Cc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377797803 ED Annotated Anodyne Cc1ccc2c(c1)n(O)c(NCCN1[C@@H](C)CCC[C@@H]1C)n[n+]2=O ZINC000377799864 ED Annotated Anodyne Cc1ccc2c(c1)n(O)c(NCCN1[C@@H](C)CCC[C@H]1C)n[n+]2=O ZINC000377799865 ED Annotated Anodyne Cc1ccc2c(c1)n(O)c(NCCN1[C@H](C)CCC[C@H]1C)n[n+]2=O ZINC000377799866 ED Annotated Anodyne CC(C)c1ccc2c(c1)n(O)c(NCCN1CCCCC1)n[n+]2=O ZINC000377799874 ED Annotated Anodyne CC(C)(C)c1ccc2c(c1)n(O)c(NCCN1CCCCC1)n[n+]2=O ZINC000377799875 ED Annotated Anodyne Cn1ccc(C(=O)c2cnn3c2[nH][n+](=O)c2ccc(Cl)cc23)c1 ZINC000377803806 ED Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)c3ccco3)c1[nH][n+]2=O ZINC000377806650 ED Annotated Anodyne CCN(CC)CCNc1c(C#N)n(O)c2cc(OC)ccc2[n+]1=O ZINC000377807261 ED Annotated Mild CN1C=CN(C)C1=CC=c1ccc(=CN=NC(=N)N2CCCC2)cc1 ZINC000377810352 ED Annotated Clean C[C@@H]1Cc2cc3nc(CCCN4CCOCC4)[nH][n+](=O)c3cc2C1 ZINC000377811476 ED Annotated Anodyne C[C@H]1Cc2cc3nc(CCCN4CCOCC4)[nH][n+](=O)c3cc2C1 ZINC000377811484 ED Annotated Anodyne NC(O)=C1C=CN(Cc2cccc(C[n+]3cccc(C=[N+]=O)c3)c2)C=C1 ZINC000377815866 ED Annotated Anodyne NC(O)=C1C=CN(Cc2ccccc2C[n+]2cccc(C=[N+]=O)c2)C=C1 ZINC000377815966 ED Annotated Anodyne NC(O)=C1C=CN(Cc2ccc(C[n+]3cccc(C=[N+]=O)c3)cc2)C=C1 ZINC000377815977 ED Annotated Anodyne NC(O)=C1C=CN(c2ccc(-[n+]3cccc(C=[N+]=O)c3)s2)C=C1 ZINC000377816508 ED Annotated Anodyne COc1cc2c(cc1OC)=C(C)N(C)/C(=C1\C=CC(=O)C(O)=C1)C=2 ZINC000377817252 ED Annotated Mild COc1cc2c(cc1OC)=C(C)N(C)/C(=C1/C=CC(=O)C(O)=C1)C=2 ZINC000377817253 ED Annotated Mild O=C(O)c1ccc(-c2c(C(=O)O)[n+](=O)c3ccccc3n2O)cc1 ZINC000377818578 ED Annotated Anodyne CCc1n[n+](=O)c2cc3c(cc2n1O)C[C@@H](CCN1CCOCC1)C3 ZINC000377819853 ED Annotated Anodyne CCc1n[n+](=O)c2cc3c(cc2n1O)C[C@H](CCN1CCOCC1)C3 ZINC000377819854 ED Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)c3cccnc3)c1[nH][n+]2=O ZINC000377825212 ED Annotated Anodyne CCOC(=O)c1cnn2c1[nH][n+](=O)c1cc(C(F)(F)F)ccc12 ZINC000377825230 ED Annotated Anodyne CCOC(=O)c1cnn2c1[nH][n+](=O)c1ccc(C(F)(F)F)cc12 ZINC000377826562 ED Annotated Anodyne C[C@@H]1CCCCN1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377829937 ED Annotated Bother C[C@H]1CCCCN1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377829938 ED Annotated Bother O=C1C2=N[C@@H]3C[C@@]45C[C@@H]([C@H](O)C=C4S3)N3CCc4c[nH]c1c4C3=C25 ZINC000377836319 ED Annotated Clean CCOC(=O)c1cnn2c1[nH][n+](=O)c1ccc(OC(F)F)cc12 ZINC000377839382 ED Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)c3cccn3C)c1[nH][n+]2=O ZINC000377841251 ED Annotated Anodyne CCO/C(O)=C(/[N+]#N)C(=O)CN1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2[C@H]1O ZINC000377844281 ED Annotated Mild CCO/C(O)=C(/[N+]#N)C(=O)CN1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2[C@@H]1O ZINC000377844293 ED Annotated Mild O=[n+]1[nH]c2c(I)cnn2c2cc(Cl)ccc21 ZINC000377845075 ED Annotated Anodyne NC(=O)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 ZINC000377845412 ED Annotated Anodyne NC(=O)c1cnn2c1[nH][n+](=O)c1ccc(OCc3cccs3)cc12 ZINC000377845530 ED Annotated Anodyne CCN(CC)[N+](=O)NOCOC(=O)c1ccccc1OC(C)=O ZINC000377845537 ED Annotated Anodyne COC(=O)c1ccc2c(c1)n(O)c(C(C)=O)c(C(F)(F)F)[n+]2=O ZINC000377845650 ED Annotated Anodyne COC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000377845666 ED Annotated Anodyne CCOC(=O)c1c(C(F)(F)F)[n+](=O)c2ccc(OC)cc2n1O ZINC000377845669 ED Annotated Anodyne COC1=CC2=C3C(C)=c4ccc5c(c4=CN3CCC2=CC1=O)OCO5 ZINC000377848876 ED Annotated Mild C1=CN2C=CC1=NCCOCCN=C1C=CN(C=C1)CCOCC2 ZINC000377853798 ED Annotated Anodyne O=C(NCCCCCN=c1[nH]c2ccccc2[n+](=O)[nH]1)C(F)(F)F ZINC000377871776 ED Annotated Anodyne O=C(OC[C@@H]1CCOC1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377871778 ED Annotated Anodyne O=C(OC[C@H]1CCOC1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377871779 ED Annotated Anodyne C=CCN1C(=O)CS/C1=N\N=C\c1ccc2c(c1)[n+](=O)ccn2O ZINC000378063492 ED Annotated Mild Cn1cccc1C(=O)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000378655026 ED Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccc(O)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000038153698 ED Annotated Mild C[C@H]1CC/C(=N\Nc2ccc(O)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000038153699 ED Annotated Mild C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000038202417 ED Annotated Mild CC1=NC=C(CO)/C(=C/NNC(=O)c2cc3c(s2)CCCC3)C1=O ZINC000038209060 ED Annotated Reactive Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H]1OC[C@](C)(O)[C@@H]1O3 ZINC000038230312 ED Annotated Bother in-man C=C1C[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000038248477 ED Annotated Mild CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)s2)CC1 ZINC000038266778 ED Annotated Anodyne O=C1O[C@@H](C(=O)O)[C@H](c2ccc(O)c(O)c2)/C1=C\c1ccc(O)cc1 ZINC000038287629 ED Annotated Clean CC(C)(C)c1ccc(C(=O)C[C@@H]2CC[C@@H](O)[C@@H]3[C@H](O)[C@H](O)CN23)cc1 ZINC000038317951 ED Annotated Anodyne C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000038321744 ED Annotated Anodyne in-vitro biogenic C[C@]1(O)CC(=O)c2c(ccc3c2C(=O)c2c(O)ccc(O)c2C3=O)C1 ZINC000038342857 ED Annotated Clean CCOC(=O)Cn1nc(-n2nc(-c3ccccc3)cc2C)ccc1=O ZINC000038342861 ED Annotated Anodyne C[C@H]1C/C=C/C(=O)O[C@@H](C)CC(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O1 ZINC000038356142 ED Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)CC[C@H]3[C@H](CS(=O)(=O)O)C(=O)O[C@@H]3[C@@H]12 ZINC000038356326 ED Annotated Mild in-vitro biogenic CCNCCCCNC/C=C(/CS)CNCCCCNCC ZINC000038387896 ED Annotated Mild COC1=C(N)C(=O)c2nc(-c3cccc(C(=O)O)n3)ccc2C1=O ZINC000038421215 ED Annotated Mild NC(=O)CNC(=O)C[S@](=O)C1c2ccccc2-c2ccccc21 ZINC000038441671 ED Annotated Anodyne NC(=O)CNC(=O)C[S@@](=O)C1c2ccccc2-c2ccccc21 ZINC000038441672 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4CO[C@H]2CN(C)[C@@]3(O)C1)OCO5 ZINC000038483650 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)O[C@H]2CN(C)[C@H]3C1)OCO5 ZINC000038483652 ED Annotated Anodyne C[C@H]1C/C=C/C(=O)O[C@H](C)CC(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O1 ZINC000038541362 ED Annotated Anodyne CCC[C@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)c1c(O)cccc1C2=O ZINC000038541486 ED Annotated Mild in-man C[C@@H]1OC(=O)C2=C1O[C@H]1[C@@H](C)[C@@](C)(C2=O)[C@@H]2CCCC[C@@]2(O)[C@@H]1O ZINC000038608131 ED Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@H]2O ZINC000038618703 ED Annotated Mild in-vitro biogenic C/C=C/C=C/C(=O)O[C@@H]1CC/C=C/[C@@H](O)[C@@H](O)[C@H](CCC)OC1=O ZINC000038694201 ED Annotated Anodyne C=C(C=O)[C@H]1C[C@H](OC(=O)/C=C\c2ccc(O)cc2)C(CO)=C1C=O ZINC000038792181 ED Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1[C@H](OC(C)=O)C=C[C@@H]2O[C@@]21COC(=O)c1ccccc1 ZINC000038822740 ED Annotated Anodyne Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1CC(=O)c1ccccc1 ZINC000038846328 ED Annotated Bother COc1c2c(cc3c1[C@@H](O)N1CC[C@]34C=C[C@H](OC)C[C@@H]14)OCO2 ZINC000038847359 ED Annotated Anodyne COC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 ZINC000038883839 ED Annotated Anodyne C[C@@H]1CC(=O)[C@]2(O)C3=C(C=C[C@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000038928886 ED Annotated Mild in-vitro C[C@H]1CC(=O)[C@]2(O)C3=C(C=C[C@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000038928887 ED Annotated Mild in-vitro C[C@@H]1CC(=O)[C@@]2(O)C3=C(C=C[C@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000038928888 ED Annotated Mild in-vitro C[C@H]1CC(=O)[C@@]2(O)C3=C(C=C[C@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000038928889 ED Annotated Mild in-vitro CO[C@@H]1/C=C(/C)C[C@H](OC(C)=O)[C@]23O[C@@H](O)[C@@H]([C@H]1O)[C@H]2CC3(C)C ZINC000038928916 ED Annotated Anodyne O=C1CCC[C@@H](CNC(=O)c2cc(O)ccc2OCC(F)(F)F)N1 ZINC000038929224 ED Annotated Anodyne in-man O=C1CCC[C@H](CNC(=O)c2cc(O)ccc2OCC(F)(F)F)N1 ZINC000038929225 ED Annotated Anodyne in-man C/C=C\C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@]21CO1 ZINC000038929397 ED Annotated Mild in-vitro biogenic CO[C@H]1OC2=CC(=O)CC[C@]2(O)[C@@H]2Oc3cc4c(cc3[C@H]12)OCO4 ZINC000038961554 ED Annotated Mild COC(=O)C1=C(C)N2CCO[C@@]2(C)[C@@H](C(=O)OC)[C@@H]1c1ccco1 ZINC000038961757 ED Annotated Anodyne C/C1=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@@](C)(O)[C@@H](C)C1)[C@H]23 ZINC000038961910 ED Annotated Anodyne CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccnc(Cl)n2)CC1 ZINC000039049438 ED Annotated Clean C#C/C=C\CCC[C@@H](O)/C=C\C#CC#CCCCC#CC#C[C@H](O)CO ZINC000039093883 ED Annotated Mild C#C/C=C\CCC[C@H](O)/C=C\C#CC#CCCCC#CC#C[C@@H](O)CO ZINC000039093885 ED Annotated Mild C#C/C=C\CCC[C@@H](O)/C=C\C#CC#CCCCC#CC#C[C@@H](O)CO ZINC000039093887 ED Annotated Mild C#C/C=C\CCCC/C=C\C#CC#C[C@@H](O)CCC#CC#C[C@H](O)CO ZINC000039137911 ED Annotated Mild C#C/C=C\CCCC/C=C\C#CC#C[C@H](O)CCC#CC#C[C@@H](O)CO ZINC000039137912 ED Annotated Mild C#C/C=C\CCCC/C=C\C#CC#C[C@@H](O)CCC#CC#C[C@@H](O)CO ZINC000039137913 ED Annotated Mild C[C@@H]1C[C@H](O)C2=C(CO)C[C@H](O)C[C@@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000039177882 ED Annotated Anodyne NC1=N[C@H](COc2ccc3c(c2)CNCC3)COc2ccsc21 ZINC000039187990 ED Annotated Anodyne in-vivo C/C=C1\C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000039204317 ED Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000039205612 ED Annotated Mild in-vitro biogenic COc1ccc2c(c1OC)[C@]13CCC(=O)[C@]4(O)O[C@H]2C[C@@]41N(C)CC3 ZINC000039205776 ED Annotated Anodyne in-vitro biogenic COC1=C[C@]23CCN(C)[C@H](Cc4cc(O)c(OC)cc42)C3=CC1=O ZINC000039205842 ED Annotated Mild Cc1c(C(=O)O)[nH]c2c(C)c3[nH]c(C(=O)O)c(C)c(=O)c3cc2c1=O ZINC000039221296 ED Annotated Bother CCOC(=O)C(=O)Nc1cccc(NC(=O)C(=O)OCC)c1Cl ZINC000039333561 ED Annotated Anodyne Cc1ccn2cc(CCNC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)nc2c1 ZINC000039371318 ED Annotated Anodyne Cc1ccn2cc(CCNC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)nc2c1 ZINC000039371319 ED Annotated Anodyne CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CSC)C2)CC1 ZINC000039394351 ED Annotated Anodyne CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CSC)C2)CC1 ZINC000039394353 ED Annotated Anodyne C=C1C/C(=C/C)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000039436225 ED Annotated Mild NCc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)ncn1 ZINC000039460835 ED Annotated Anodyne CCn1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cn1 ZINC000039508895 ED Annotated Anodyne C[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000004005113 ED Annotated Anodyne COc1ccc(Nc2nc(N3CCNCC3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004007430 ED Annotated Bother C[C@H]1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C[C@H](C)O1 ZINC000004033628 ED Annotated Anodyne C[C@@H]1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C[C@@H](C)O1 ZINC000004033629 ED Annotated Anodyne O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1 ZINC000004033704 ED Annotated Anodyne CN1CC(O)=N/C1=N\C(=O)Nc1ccc2c(c1)N(C)C(=O)CS2 ZINC000004034937 ED Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004041324 ED Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004041330 ED Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCO)cc1 ZINC000004041337 ED Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCO)cc1 ZINC000004041341 ED Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043614 ED Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043615 ED Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000004043617 ED Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004049463 ED Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004049464 ED Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004049465 ED Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004049466 ED Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCO ZINC000004049507 ED Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCO ZINC000004049508 ED Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCO ZINC000004049509 ED Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCO ZINC000004049510 ED Annotated Anodyne Cc1cc(C)c2cc3c(ccn3[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc2n1 ZINC000004056788 ED Annotated Anodyne Cc1cc(C)c2cc3c(ccn3[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc2n1 ZINC000004056789 ED Annotated Anodyne CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1 ZINC000004057164 ED Annotated Anodyne CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C ZINC000004057585 ED Annotated Anodyne c1cnc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)nc1 ZINC000004057662 ED Annotated Anodyne CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1 ZINC000004061418 ED Annotated Anodyne CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 ZINC000004061441 ED Annotated Anodyne CCc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004061646 ED Annotated Anodyne CCOCCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12 ZINC000004076219 ED Annotated Anodyne Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2 ZINC000004076553 ED Annotated Anodyne CC(C)(C)NC(=O)CN(Cc1cccnc1)C(=O)c1csnn1 ZINC000004092533 ED Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000004097026 ED Annotated Mild in-vitro COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@H]3O ZINC000004097638 ED Annotated Anodyne O[C@H]1CN2Cc3cc4c(cc3[C@@H]3[C@H]5NCCC[C@H]5C=C1[C@H]32)OCO4 ZINC000004097643 ED Annotated Anodyne in-vitro biogenic O[C@@H]1CN2Cc3cc4c(cc3[C@@H]3[C@H]5NCCC[C@H]5C=C1[C@H]32)OCO4 ZINC000004097644 ED Annotated Anodyne in-vitro CC(C)c1oc(=O)cc2c1C[C@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13 ZINC000004097898 ED Annotated Anodyne in-vitro biogenic CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13 ZINC000004097940 ED Annotated Anodyne in-vitro biogenic C/C1=C/[C@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)C(C)C ZINC000004098065 ED Annotated Mild in-vitro biogenic C=C(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000004098174 ED Annotated Mild in-vitro biogenic C[C@H]1[C@H](/N=C/c2ccc(CO)n2[C@@H]2C(=O)O[C@H](C)[C@H]2C)C(=O)O[C@@H]1C ZINC000004098581 ED Annotated Mild in-vitro COc1ccc2c(OC)c3c([n+](C)c2c1OC)O[C@H](C(C)(C)O)C3 ZINC000004098856 ED Annotated Anodyne in-vitro biogenic Cc1nn([C@@H](C)C(=O)NC[C@@H]2CCCO2)c(=O)c2cc3occc3n12 ZINC000004101151 ED Annotated Anodyne Cc1nn([C@H](C)C(=O)NC[C@@H]2CCCO2)c(=O)c2cc3occc3n12 ZINC000004101153 ED Annotated Anodyne Cc1nn([C@@H](C)C(=O)NC[C@H]2CCCO2)c(=O)c2cc3occc3n12 ZINC000004101156 ED Annotated Anodyne Cc1nn([C@H](C)C(=O)NC[C@H]2CCCO2)c(=O)c2cc3occc3n12 ZINC000004101157 ED Annotated Anodyne CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CC[C@H](C)C3)CC1 ZINC000004101314 ED Annotated Anodyne CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CC[C@@H](C)C3)CC1 ZINC000004101315 ED Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2C1=CC(=O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102238 ED Annotated Mild in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@@H]4O[C@@H]4[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000004102239 ED Annotated Mild in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000004102251 ED Annotated Mild in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2C1=CC(=O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102252 ED Annotated Mild in-vitro CC(=O)O[C@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000004102372 ED Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5 ZINC000004102373 ED Annotated Anodyne CCn1c(=O)cc(OCC(=O)NC[C@@H]2CCCO2)c2ccccc21 ZINC000004103791 ED Annotated Anodyne CCn1c(=O)cc(OCC(=O)NC[C@H]2CCCO2)c2ccccc21 ZINC000004103794 ED Annotated Anodyne CCCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000004104246 ED Annotated Anodyne CCCc1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000004104248 ED Annotated Anodyne C[C@@H]1Cc2nc(SCC(N)=O)n(Cc3ccccc3)c(=O)c2S1 ZINC000004108108 ED Annotated Anodyne C[C@H]1Cc2nc(SCC(N)=O)n(Cc3ccccc3)c(=O)c2S1 ZINC000004108110 ED Annotated Anodyne Nc1cc(N)nc(SCc2nnnn2-c2ccc(Cl)cc2)n1 ZINC000004126240 ED Annotated Anodyne CCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000004128983 ED Annotated Anodyne O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000004128996 ED Annotated Anodyne O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000004128997 ED Annotated Anodyne Cn1c(=O)c2c(SC3CCCC3)nc(C3CC3)nc2n(C)c1=O ZINC000004139053 ED Annotated Anodyne CN1CCC[C@H](OC(=O)CCCCC(=O)O[C@@H]2CCCN(C)C2)C1 ZINC000004144137 ED Annotated Anodyne CN1CCC[C@@H](OC(=O)CCCCC(=O)O[C@@H]2CCCN(C)C2)C1 ZINC000004144139 ED Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCO ZINC000004152597 ED Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCO ZINC000004152599 ED Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCO ZINC000004152601 ED Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCO ZINC000004152604 ED Annotated Anodyne CN1CCC[C@H](OC(=O)CCCC(=O)O[C@@H]2CCCN(C)C2)C1 ZINC000004162991 ED Annotated Anodyne CN1CCC[C@@H](OC(=O)CCCC(=O)O[C@@H]2CCCN(C)C2)C1 ZINC000004162997 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 ZINC000004163882 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc(C(=O)O)cc1 ZINC000004163883 ED Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1 ZINC000004165174 ED Annotated Anodyne Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000004169238 ED Annotated Reactive COc1ccc(NS(=O)(=O)c2coc(C(N)=O)c2)cc1Cl ZINC000004176297 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)OCCCc1ccccc1 ZINC000004185087 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OCCCc1ccccc1 ZINC000004185088 ED Annotated Anodyne Cc1cc(C)n(-c2nncn2NC(=O)c2ccc(Cl)cc2O)n1 ZINC000004195416 ED Annotated Anodyne COCCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N ZINC000004198738 ED Annotated Anodyne CC(=O)N[C@H](CSC(=O)c1ccccc1OC(C)=O)C(=O)O ZINC000004214291 ED Annotated Anodyne in-man O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc2nccnc2c1 ZINC000004223110 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc2nccnc2c1 ZINC000004223111 ED Annotated Anodyne COc1ncc2nc(-c3cccc(C#N)c3)c(=O)n(CCC#N)c2n1 ZINC000004238250 ED Annotated Mild COCCn1c(=O)c(C)nc2cnc(OCc3ccccc3)nc21 ZINC000004238314 ED Annotated Anodyne CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCC#N)c2n1 ZINC000004238384 ED Annotated Mild CN1CCN(c2ncc3ncc(=O)n(Cc4cccs4)c3n2)CC1 ZINC000004238394 ED Annotated Anodyne CCNc1ncc2nc(C)c(=O)n(Cc3cccc(OC)c3)c2n1 ZINC000004238399 ED Annotated Anodyne O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1C1CC1 ZINC000004238417 ED Annotated Anodyne COc1ncc2nc(CCc3ccccc3)c(=O)n(CCC#N)c2n1 ZINC000004238437 ED Annotated Mild COCCn1c(=O)c(CCc2ccccc2)nc2cnc(OC)nc21 ZINC000004238484 ED Annotated Anodyne COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(OC)nc21 ZINC000004238499 ED Annotated Anodyne CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(CCC#N)c2n1 ZINC000004238620 ED Annotated Mild COc1cccc(Cn2c(=O)c(C)nc3cnc(N(C)C)nc32)c1 ZINC000004238621 ED Annotated Anodyne Cc1nc2cnc(N3CCNCC3)nc2n(Cc2cccs2)c1=O ZINC000004238687 ED Annotated Anodyne COCCn1c(=O)c(-c2cccs2)nc2cnc(N(C)C)nc21 ZINC000004238770 ED Annotated Anodyne COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(OC)nc21 ZINC000004238782 ED Annotated Mild COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(N(C)C)nc21 ZINC000004238897 ED Annotated Anodyne O=c1cnc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 ZINC000004238914 ED Annotated Anodyne CN(C)c1ncc2nc(-c3cccc(C#N)c3)c(=O)n(CCC#N)c2n1 ZINC000004239021 ED Annotated Mild CN(C)c1ncc2nc(-c3cccs3)c(=O)n(CCC#N)c2n1 ZINC000004239061 ED Annotated Mild Cn1c(=O)c(-c2cccs2)nc2cnc(N3CCOCC3)nc21 ZINC000004239153 ED Annotated Anodyne O=c1cnc2cnc(N3CCOCC3)nc2n1Cc1cccs1 ZINC000004239172 ED Annotated Anodyne COCCn1c(=O)c(-c2ccccc2)nc2cnc(N(C)C)nc21 ZINC000004239182 ED Annotated Anodyne CN1CCN(c2ncncc2-c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000004239292 ED Annotated Anodyne COc1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])c(OC)c1 ZINC000004248349 ED Annotated Bother COc1cc(OC)cc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000004248352 ED Annotated Bother CC[C@H](Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(=O)O ZINC000004248917 ED Annotated Anodyne CC[C@@H](Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(=O)O ZINC000004248918 ED Annotated Anodyne O=C1N[C@@H]2CCN(C(=O)C3CCC3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000004278006 ED Annotated Anodyne Cc1ccc(N2C[C@H](NS(=O)(=O)c3cccnc3)CC2=O)cc1 ZINC000004303422 ED Annotated Anodyne Cc1ccc(N2C[C@@H](NS(=O)(=O)c3cccnc3)CC2=O)cc1 ZINC000004303426 ED Annotated Anodyne COc1ccc(N2C[C@H](NS(=O)(=O)c3cccnc3)CC2=O)cc1 ZINC000004303432 ED Annotated Anodyne COc1ccc(N2C[C@@H](NS(=O)(=O)c3cccnc3)CC2=O)cc1 ZINC000004303434 ED Annotated Anodyne Cc1ccccc1C(=O)O[C@H]1OC(=O)C(Cl)=C1N1CCOCC1 ZINC000004320604 ED Annotated Anodyne Cc1ccccc1C(=O)O[C@@H]1OC(=O)C(Cl)=C1N1CCOCC1 ZINC000004320605 ED Annotated Anodyne COC(=O)c1ccccc1Oc1c(F)c(F)nc(NCCO)c1F ZINC000004320663 ED Annotated Anodyne CCc1cccc2c(C(=O)COC(=O)C3=NNC(=O)CC3)c[nH]c12 ZINC000004334275 ED Annotated Anodyne O=C(NCCc1nnc2ccc(N3CCCC3)nn12)c1ccccc1 ZINC000004358604 ED Annotated Anodyne O=C(CN1[C@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2)NC1CC1 ZINC000004373946 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#N)cn3)c(F)c2)C(=O)O1 ZINC000004394016 ED Annotated Mild COCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004435676 ED Annotated Anodyne COCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004435677 ED Annotated Anodyne O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCCCC1 ZINC000004479654 ED Annotated Anodyne O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCCCC1 ZINC000004479655 ED Annotated Anodyne Cc1cccc2cc(C#N)c(NCCNC(=O)CCC(=O)O)nc12 ZINC000040010104 ED Annotated Mild Cn1ccc(=O)c2cc(N)c(N3CCN(c4nccs4)CC3)cc21 ZINC000040379051 ED Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)s2)s1 ZINC000040379376 ED Annotated Bother C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@@]1(C)O2)[C@H]34 ZINC000040379448 ED Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCCOCC2)cc1 ZINC000040380430 ED Annotated Anodyne O=C(Cn1cnc2ccccc21)N[C@H](O)c1ccc([N+](=O)[O-])s1 ZINC000040380594 ED Annotated Bother O=C(Cn1cnc2ccccc21)N[C@@H](O)c1ccc([N+](=O)[O-])s1 ZINC000040380595 ED Annotated Bother CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(CO)nn1 ZINC000040380664 ED Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(CO)nn1 ZINC000040380665 ED Annotated Mild CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCC(=O)OC ZINC000040380778 ED Annotated Mild CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCC(=O)OC ZINC000040380779 ED Annotated Mild CCOC(=O)c1c2c(n3cccc(O)c13)C(=O)c1cccnc1C2=O ZINC000040391118 ED Annotated Clean Cc1c(C(=O)NCc2ccccc2O)nnn1Cc1ccccc1O ZINC000040392622 ED Annotated Clean COC1=C2c3ccc(OC)c(=O)cc3[C@H]3C[C@]4(C)N3[C@]24C=C(O)C1=O ZINC000040393770 ED Annotated Mild COC(=O)[C@H](CO)NC(=O)c1cnc2ccc(F)cc2c1Cl ZINC000040394079 ED Annotated Anodyne O=C(NCCCCCNc1nc2ccccc2[n+]([O-])n1)C(F)(F)F ZINC000040394212 ED Annotated Anodyne CCC[C@H](O)Cn1ncc(C(=O)OCC)c1NC(=O)NC(C)C ZINC000040401377 ED Annotated Anodyne CCC[C@@H](O)Cn1ncc(C(=O)OCC)c1NC(=O)NC(C)C ZINC000040401380 ED Annotated Anodyne CNC(=S)N/N=C1\C(=O)N(C)c2ccc(OC(F)(F)F)cc21 ZINC000040402455 ED Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(N1CCOCC1)C2=O ZINC000040403436 ED Annotated Mild COC(=O)c1ccc(-c2c(C#N)[n+]([O-])c3cc(C)ccc3[n+]2[O-])cc1 ZINC000040403768 ED Annotated Mild COc1ccc(C2=C(O)/C(=C(/C)C(=O)N3CCOCC3)OC2=O)cc1 ZINC000040405163 ED Annotated Anodyne COC(=O)[C@@]1(C)CC(C)(C)[C@@H]2[C@@H](OC(C)=O)C[C@@H](C)[C@H](C=O)[C@@]21O ZINC000040405315 ED Annotated Mild O=S(=O)(c1ccccn1)n1ccc2cc3c(cc21)CCNCC3 ZINC000040405362 ED Annotated Anodyne CO[C@@H]1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1 ZINC000040405374 ED Annotated Clean C=C1C(=O)[C@@]23[C@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@@]5(C(=O)O4)[C@@H]2CC[C@@H]1[C@H]3O ZINC000040405659 ED Annotated Mild O=C(Nc1ccccc1)[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O ZINC000040407086 ED Annotated Anodyne Cc1nc(CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])n1CCO ZINC000040407783 ED Annotated Bother COC(=O)[C@H]1[C@H](C)C[C@H](OC(C)=O)[C@H]2C(C)(C)C[C@](C)(CO)[C@@]12O ZINC000040410511 ED Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C[C@H]4O[C@H]4[C@@]2(C)[C@@H]13 ZINC000040410703 ED Annotated Anodyne CCc1nc2c3c(cc(F)c2n1C)c(=O)c(C(=O)NC)cn3CC ZINC000040411945 ED Annotated Anodyne C=CCN1C[C@@H]2[C@H](O)CC[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040411973 ED Annotated Mild C[C@@H]1Cc2cc3nc(CCCN4CCOCC4)n[n+]([O-])c3cc2C1 ZINC000040413072 ED Annotated Anodyne C[C@H]1Cc2cc3nc(CCCN4CCOCC4)n[n+]([O-])c3cc2C1 ZINC000040413075 ED Annotated Anodyne COC(=O)c1ccc(-c2c(C#N)[n+]([O-])c3cc(F)ccc3[n+]2[O-])cc1 ZINC000040422373 ED Annotated Mild C/C(=C/[S@](C)=O)n1c(C(=O)c2ccc(Cl)cc2)noc1=O ZINC000040422481 ED Annotated Anodyne C/C(=C/[S@@](C)=O)n1c(C(=O)c2ccc(Cl)cc2)noc1=O ZINC000040422483 ED Annotated Anodyne O/N=C/c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1 ZINC000040422903 ED Annotated Mild C=CCNC(=S)N/N=C1\C(=O)Nc2ccc(OC(F)(F)F)cc21 ZINC000040423287 ED Annotated Mild C/C(=C/S(C)(=O)=O)n1c(C(=O)c2ccc(Cl)cc2)noc1=O ZINC000040423310 ED Annotated Anodyne Cc1nsc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 ZINC000040423445 ED Annotated Anodyne Cc1ccc([C@H]2CNN=C2S(=O)(=O)Cc2n[nH]c(=S)o2)cc1 ZINC000040428759 ED Annotated Anodyne CC(C)(C)OC(=O)N1CCC(n2cc(-c3noc(O)n3)nn2)CC1 ZINC000040428849 ED Annotated Anodyne C[C@H](Br)C(=O)Nc1ccc(F)c(C(=O)NC(N)=O)c1 ZINC000040428906 ED Annotated Reactive C[C@@H](Br)C(=O)Nc1ccc(F)c(C(=O)NC(N)=O)c1 ZINC000040428908 ED Annotated Reactive C=CS(=O)(=O)[C@H]1C[C@]2(C(=O)OC)CCC(=O)N2[C@H]1c1ccccc1 ZINC000040429050 ED Annotated Anodyne CCCC(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000040429052 ED Annotated Anodyne CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@H]3O ZINC000040429400 ED Annotated Anodyne CO[C@H]1[C@H](OC(=O)C(C)C)[C@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12 ZINC000040430087 ED Annotated Anodyne O=c1c2cccc(/C=N\NC3=NCCN3)c2oc2cc(O)cc(O)c12 ZINC000040430757 ED Annotated Mild O=c1c2cc(/C=N/NC3=NCCN3)ccc2oc2cc(O)cc(O)c12 ZINC000040431259 ED Annotated Mild COC(=O)C[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCC1 ZINC000040465334 ED Annotated Anodyne COC(=O)C[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCC1 ZINC000040465336 ED Annotated Anodyne C[C@@H]1CC/C(=N/Nc2ccccc2)c2ncc(C(=O)NO)c(=O)n21 ZINC000040465675 ED Annotated Mild C[C@H]1CC/C(=N\Nc2ccccc2)c2ncc(C(=O)NO)c(=O)n21 ZINC000040465678 ED Annotated Mild Cc1nc2n(c(=O)c1C(N)=O)[C@@H](C)CC/C2=N\Nc1ccccc1 ZINC000040465813 ED Annotated Mild Cc1nc2n(c(=O)c1C(N)=O)[C@H](C)CC/C2=N\Nc1ccccc1 ZINC000040465816 ED Annotated Mild C/N=C(\NC#N)NCCSCn1nc(-c2ccccc2)ccc1=O ZINC000040466723 ED Annotated Mild Cc1[nH]cnc1CSCCNc1ncccc1S(=O)(=O)O ZINC000040466834 ED Annotated Clean CC1(C)C=C(C(=O)NCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(C)(C)N1 ZINC000040466925 ED Annotated Anodyne CC1(C)C=C(C(=O)NCCCNC(=O)Cc2ccccc2)C(C)(C)N1 ZINC000040466932 ED Annotated Anodyne CSc1ccc(N2C[C@@H](CNC(C)=O)OC2=O)cc1[N+](=O)[O-] ZINC000040466941 ED Annotated Bother CSc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1[N+](=O)[O-] ZINC000040466942 ED Annotated Bother C[n+]1c(/C=C/c2ccc(/C=N/NC(=N)NO)cc2)cn2ccccc21 ZINC000040472337 ED Annotated Mild C[C@H](NC(=O)NCCCc1n[nH]c(N)c1C#N)c1ccc(F)cc1 ZINC000040501000 ED Annotated Mild C[C@@H](NC(=O)NCCCc1n[nH]c(N)c1C#N)c1ccc(F)cc1 ZINC000040501002 ED Annotated Mild CCO[P@](=O)(O)/N=C(\NC)NCCSCc1nc[nH]c1C ZINC000040503611 ED Annotated Mild COc1c(C)c(O)c2c(c1O)c(COC(N)=O)c1n2C[C@@H]2[C@H]1N2C ZINC000040505932 ED Annotated Anodyne [N-]=[N+]=NC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000040514656 ED Annotated Clean CN(C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccccn1 ZINC000040520916 ED Annotated Anodyne NC(=O)c1cc[n+](CCCCCC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000040556646 ED Annotated Mild CC1=C(C)C(=O)C(C)(CN2c3ccccc3[C@]3(O)CCO[C@H]23)C1=O ZINC000040563783 ED Annotated Mild C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@]1(CO1)[C@H]2/C=C/C1=CCOC1=O ZINC000040565236 ED Annotated Anodyne COC(=O)C1=C(N2CCC2)[C@H]2c3ccccc3S[C@]12C(=O)OC ZINC000040565714 ED Annotated Anodyne COC(=O)C1=C(N2CCC2)[C@@H]2c3ccccc3S[C@]12C(=O)OC ZINC000040565716 ED Annotated Anodyne COC(=O)C1=C(N2CCC2)[C@@H]2c3ccccc3S[C@@]12C(=O)OC ZINC000040565718 ED Annotated Anodyne O=[N+]([O-])c1ccc(O/N=[N+](/[O-])N2CCN(c3ccccc3)CC2)nc1 ZINC000040567392 ED Annotated Clean C/C=C/C=C/C(=O)O[C@H]1CC/C=C/[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000040584167 ED Annotated Anodyne CNC(=O)[C@@H](c1csnn1)[S@@](=O)Cc1ccc(Cl)cc1 ZINC000040584429 ED Annotated Anodyne CNC(=O)[C@H](c1csnn1)[S@@](=O)Cc1ccc(Cl)cc1 ZINC000040584431 ED Annotated Anodyne CNC(=O)[C@@H](c1csnn1)[S@](=O)Cc1ccc(Cl)cc1 ZINC000040584433 ED Annotated Anodyne CNC(=O)[C@H](c1csnn1)[S@](=O)Cc1ccc(Cl)cc1 ZINC000040584435 ED Annotated Anodyne CNC(=O)[C@@H](Sc1nc2nc(C)cc(C)n2n1)c1csnn1 ZINC000040584436 ED Annotated Anodyne CNC(=O)[C@H](Sc1nc2nc(C)cc(C)n2n1)c1csnn1 ZINC000040584438 ED Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@H](N2C=C[C@H](N)NC2=O)ON1C)OCC ZINC000040602165 ED Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@@H](N2C=C[C@H](N)NC2=O)ON1C)OCC ZINC000040602171 ED Annotated Anodyne CCOC(=O)C(=O)Nc1ccc2c(c1)-n1cc(C(=O)OC)nc1CO2 ZINC000040632068 ED Annotated Anodyne CC1(C)C=C(C(=O)NCCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C(C)(C)N1 ZINC000040632455 ED Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccccc2)c2ncc(C(=O)NN)c(=O)n21 ZINC000040639534 ED Annotated Reactive C[C@H]1CC/C(=N\Nc2ccccc2)c2ncc(C(=O)NN)c(=O)n21 ZINC000040639536 ED Annotated Reactive CC[C@@H]1C(=O)N2C=CSC2=[N+](Cc2ccc3c(c2)OCO3)C1=O ZINC000040640188 ED Annotated Anodyne CC[C@H]1C(=O)N2C=CSC2=[N+](Cc2ccc3c(c2)OCO3)C1=O ZINC000040640191 ED Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccccc2O)c2ncc(C(=O)O)c(=O)n21 ZINC000040640336 ED Annotated Mild C[C@H]1CC/C(=N\Nc2ccccc2O)c2ncc(C(=O)O)c(=O)n21 ZINC000040640339 ED Annotated Mild COc1cc2c(C)[nH]c(=O)c(CCC(=O)ON(C)C)c2cc1OC ZINC000040645996 ED Annotated Mild CCN(CC)CCNC(=O)c1ccc(I)nc1 ZINC000040651324 ED Annotated Anodyne CCO[P@](=O)(O)COC[C@@H]1CC[C@H](N2CCC(=N)NC2=O)O1 ZINC000040688964 ED Annotated Anodyne CN1C(C(=O)Nc2ccncc2)=C(O)c2sccc2S1(=O)=O ZINC000040720444 ED Annotated Anodyne CN1C(C(=O)Nc2cnccn2)=C(O)c2sccc2S1(=O)=O ZINC000040720461 ED Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3O[C@H]4C=C[C@@H]3CC4)cc2)C(=O)O1 ZINC000040743197 ED Annotated Anodyne CNC(=O)[C@H](c1csnn1)S(=O)(=O)c1cc(C)ccc1C ZINC000040753625 ED Annotated Anodyne CNC(=O)[C@@H](c1csnn1)S(=O)(=O)c1cc(C)ccc1C ZINC000040753628 ED Annotated Anodyne O[C@H]1C=C[C@@H](NCc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@H]1O ZINC000040753840 ED Annotated Anodyne O[C@H]1C=C[C@H](NCc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@H]1O ZINC000040753842 ED Annotated Anodyne O[C@H]1[C@H](O)C=C[C@@H](NCc2ccc(Oc3ccccc3)cc2)[C@H]1O ZINC000040753845 ED Annotated Anodyne O[C@H]1[C@H](O)C=C[C@H](NCc2ccc(Oc3ccccc3)cc2)[C@H]1O ZINC000040753848 ED Annotated Anodyne CNC(=O)[C@@H](c1csnn1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000040762309 ED Annotated Anodyne CNC(=O)[C@H](c1csnn1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000040762311 ED Annotated Anodyne CC(C)C1=C[C@]23O[C@H]2C[C@H]2C4=C(CC[C@]2(C)[C@@]32O[C@H]2[C@@H]1O)C(=O)OC4 ZINC000040763485 ED Annotated Anodyne COCc1cc(-c2c(COC)cc(O)c(O)c2O)c(O)c(O)c1O ZINC000040767018 ED Annotated Clean O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNC3CC3)[C@H]2F)C1=O ZINC000040776269 ED Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNC3CC3)[C@H]2F)C1=O ZINC000040776272 ED Annotated Mild O=C1C[C@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)c1ccccc1 ZINC000040786082 ED Annotated Mild CCCCS(=O)(=O)ON1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000040786724 ED Annotated Mild C[N+](C)(C)CC(=O)N/N=C\c1cccc2c(=O)c3cccnc3[nH]c12 ZINC000040810524 ED Annotated Reactive O=S(=O)(Cc1nnc(S)s1)C1=NNC[C@@H]1c1ccccc1 ZINC000040828168 ED Annotated Anodyne CC1(C)C=C(C(=O)NC[C@H](O)CNCc2cccs2)C(C)(C)N1 ZINC000040828603 ED Annotated Anodyne CC1(C)C=C(C(=O)NC[C@@H](O)CNCc2cccs2)C(C)(C)N1 ZINC000040828605 ED Annotated Anodyne C=CCN1C[C@H]2[C@@H](O)CC[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040829040 ED Annotated Mild c1ccc(Cc2noc(-c3cn(CCN4CCOCC4)cn3)n2)cc1 ZINC000040834597 ED Annotated Anodyne CCOC(=O)c1nn(-c2ccc(O)cc2)c(=O)c2c(N)scc12 ZINC000040845347 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCO[C@H](C3=CCCN(C)C3)C2)cc1 ZINC000040846354 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCO[C@@H](C3=CCCN(C)C3)C2)cc1 ZINC000040846356 ED Annotated Anodyne COC(=O)[C@H](CO)NC(=O)c1cnc2c(Cl)cccc2c1Cl ZINC000040846813 ED Annotated Anodyne O=C1O[C@@H](CO)CN1c1cc(F)c(N2CCCOCC2)c(F)c1 ZINC000040847154 ED Annotated Anodyne CCOC(=O)c1c2c(n3cccc(O)c13)C(=O)c1ncccc1C2=O ZINC000040847952 ED Annotated Clean CNC(=O)[C@H]1CN(c2ccc(N3CCCOCC3)c(F)c2)C(=O)O1 ZINC000040848004 ED Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(N3CCS(=O)CC3)s2)s1 ZINC000040848068 ED Annotated Bother NC(=O)[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1 ZINC000040848188 ED Annotated Anodyne COC(=O)[C@]1(CO)c2[nH]c3ccccc3c2[C@@H](C)[C@]2(O)CNCC[C@H]12 ZINC000040848715 ED Annotated Anodyne C=CCN1C[C@@H]2[C@@H](O)CC[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040861399 ED Annotated Mild CN1CC[C@@H]2c3ccccc3N3[C@@H](O)C[C@H](C4=CCOC4=O)C[C@H]1[C@H]23 ZINC000040861750 ED Annotated Anodyne CN1CC[C@H]2c3ccccc3N3[C@@H](O)C[C@H](C4=CCOC4=O)C[C@H]1[C@H]23 ZINC000040861752 ED Annotated Anodyne COC(=O)[C@H](CO)NC(=O)c1cnc2c(F)cc(F)cc2c1Cl ZINC000040861821 ED Annotated Anodyne CCOC(=O)c1c2c(n3cccc(N)c13)C(=O)c1ncccc1C2=O ZINC000040862020 ED Annotated Clean CCOC(=O)c1c2c(n3cccc(N)c13)C(=O)c1cccnc1C2=O ZINC000040862297 ED Annotated Clean C=CCN1C[C@H]2[C@H](O)CC[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040862350 ED Annotated Mild O=C(c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)N(CCO)CCO ZINC000040862396 ED Annotated Anodyne N=C(N/N=C/c1ccc(O)cc1)SCc1ccc2no[n+]([O-])c2c1 ZINC000040862750 ED Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)[C@@H](O)[C@@H]2C(C)(C)[C@H]4CC(=O)[C@@]32CO4)[C@@H]1O ZINC000040866140 ED Annotated Mild O=C(NCCCCNc1nc2ccccc2[n+]([O-])n1)C(F)(F)F ZINC000040866567 ED Annotated Anodyne CC(=O)O[C@@H]1[C@H]2[C@](C)(O)CC[C@@H](O)[C@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@H]21 ZINC000040866642 ED Annotated Anodyne CCCCCC[C@H]1CO[C@@H]([C@H](O)/C(C)=C/C(=O)OCC)[C@H](O)[C@@H]1O ZINC000040866862 ED Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)cc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000040867096 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000040873533 ED Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 ZINC000040877956 ED Annotated Anodyne in-vitro biogenic NC(N)=NC(=O)c1ncc(-c2cccc(-c3ccsc3)c2)nc1N ZINC000040879394 ED Annotated Mild CC(=O)c1ccc(N2C[C@H](Cn3cc(CCO)nn3)OC2=O)cc1 ZINC000040892381 ED Annotated Anodyne CC(=O)c1ccc(N2C[C@@H](Cn3cc(CCO)nn3)OC2=O)cc1 ZINC000040892383 ED Annotated Anodyne CC(=O)O[C@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000040892814 ED Annotated Anodyne COCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OC ZINC000040897352 ED Annotated Reactive Nn1c(CS(=O)(=O)Cc2ccccc2)nnc1-c1ccccc1 ZINC000040900060 ED Annotated Anodyne COc1ccc(C2=C(O)/C(=C(/C)C(=O)NCCCN)OC2=O)cc1 ZINC000040900248 ED Annotated Anodyne CO[C@H]1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1 ZINC000040916102 ED Annotated Clean C[C@H]1C[C@H](n2cnc(C(N)=O)n2)O[C@@H]1COC(=O)c1ccccc1 ZINC000040916280 ED Annotated Anodyne C=C[C@]12C(=O)N(C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)Nc4ccccc41)[C@@H]32 ZINC000040916331 ED Annotated Mild Cc1nc(N2CCN(C)CC2)c([N+](=O)[O-])n1CC(=O)c1ccccc1 ZINC000040916717 ED Annotated Bother CCOC(=O)Cc1ccc(C#C[C@H]2CN3CC[C@H]2C[C@@H]3CO)cc1 ZINC000040917015 ED Annotated Mild CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@@H]3O ZINC000040917639 ED Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@H](C(=O)O)[C@@]2(O)[C@@H]1C(C)(C)C[C@]2(C)C=O ZINC000040918084 ED Annotated Mild CC(=O)O[C@H]1C[C@@H](C)[C@H](C(=O)O)[C@@]2(O)[C@@H]1C(C)(C)C[C@]2(C)C(=O)O ZINC000040918090 ED Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@H](C(=O)O)[C@@]2(O)[C@@H]1C(C)(C)C[C@]2(C)CO ZINC000040918095 ED Annotated Anodyne CCOC(=O)Cc1ccc(C#C[C@H]2CN3CC[C@@H]2C[C@@H]3CO)cc1 ZINC000040918320 ED Annotated Mild Cc1ncc([N+](=O)[O-])n1CCn1cc(CO[C@@H]2CCCCO2)nn1 ZINC000040918495 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1CCn1cc(CO[C@H]2CCCCO2)nn1 ZINC000040918496 ED Annotated Bother NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCNCC2)c1 ZINC000040919074 ED Annotated Anodyne O=C(/C=C/C(=O)c1c(O)cc(O)cc1O)c1c(O)cc(O)cc1O ZINC000040933509 ED Annotated Mild CN1C(=O)[C@H]2[C@@H](N=C(/C=C/c3cccc(Cl)c3)N2C)N(C)C1=O ZINC000040937229 ED Annotated Anodyne in-vivo CN1C(=O)[C@@H]2[C@@H](N=C(/C=C/c3cccc(Cl)c3)N2C)N(C)C1=O ZINC000040937231 ED Annotated Anodyne in-vivo CN1C(=O)[C@H]2[C@H](N=C(/C=C/c3cccc(Cl)c3)N2C)N(C)C1=O ZINC000040937233 ED Annotated Anodyne in-vivo CN1C(=O)[C@@H]2[C@H](N=C(/C=C/c3cccc(Cl)c3)N2C)N(C)C1=O ZINC000040937235 ED Annotated Anodyne in-vivo CC(C)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H](O)C[C@]4(C)C(=O)O[C@@H]([C@@H]43)[C@H]3O[C@]213 ZINC000040937759 ED Annotated Anodyne Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(=O)(=O)O)cc3c12 ZINC000040938351 ED Annotated Bother Cn1ccc(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)cc21 ZINC000040949838 ED Annotated Anodyne O/N=C/c1ccc[n+](Cc2ccc(C[n+]3cccc(/C=N/O)c3)cc2)c1 ZINC000040949851 ED Annotated Mild O/N=C/c1cccc[n+]1Cc1ccc(C[n+]2ccccc2/C=N/O)cc1 ZINC000040949853 ED Annotated Mild O/N=C/c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)cc1 ZINC000040949855 ED Annotated Mild Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2ncns2)c1 ZINC000040950932 ED Annotated Anodyne O/N=C/c1ccc[n+](Cc2cccc(C[n+]3cccc(/C=N/O)c3)c2)c1 ZINC000040952438 ED Annotated Mild O=C(Nc1cccc(Cl)c1)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12 ZINC000040952872 ED Annotated Anodyne N/C(CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1)=N\O ZINC000040953018 ED Annotated Mild O=C(Nc1ccccc1Cl)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12 ZINC000040953556 ED Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000040953797 ED Annotated Anodyne O=c1c2ccc(/C=N/NC3=NCCN3)cc2oc2cc(O)cc(O)c12 ZINC000040954013 ED Annotated Mild COc1cccc(OC)c1-c1cc(N2CCN(C)CC2)nc(N)n1 ZINC000040955499 ED Annotated Anodyne C[C@H](Br)C(=O)Nc1cc(C(=O)NC(N)=O)ccc1Cl ZINC000040973322 ED Annotated Reactive C[C@@H](Br)C(=O)Nc1cc(C(=O)NC(N)=O)ccc1Cl ZINC000040973324 ED Annotated Reactive Cc1c(N2CCCCC2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000040974301 ED Annotated Anodyne NC(=O)NC(=O)c1ccc(Cl)c(NC(=O)CBr)c1 ZINC000040975252 ED Annotated Reactive CCCCCN1C(=O)/C(=N\NC(=O)C(C)(C)O)c2ccc(OC)cc21 ZINC000040975564 ED Annotated Reactive CCCOC(=O)C[C@H]1C[C@H](O)C[C@@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000040976578 ED Annotated Mild Cn1c([N+](=O)[O-])cnc1[C@H](O)[C@H](O)c1ccc(Br)cc1 ZINC000040976747 ED Annotated Bother Cn1c([N+](=O)[O-])cnc1[C@@H](O)[C@H](O)c1ccc(Br)cc1 ZINC000040976749 ED Annotated Bother Cn1c([N+](=O)[O-])cnc1[C@H](O)[C@@H](O)c1ccc(Br)cc1 ZINC000040976751 ED Annotated Bother Cn1c([N+](=O)[O-])cnc1[C@@H](O)[C@@H](O)c1ccc(Br)cc1 ZINC000040976753 ED Annotated Bother Cc1cc(C)n2nc(/C(O)=N/S(=O)(=O)c3ccccc3C)nc2n1 ZINC000042242755 ED Annotated Mild CC[C@H]1[C@@H]2C[C@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O ZINC000042888707 ED Annotated Anodyne N[C@@H](CNC(=O)c1cc2c(Br)cccc2[nH]1)C(=O)O ZINC000042920635 ED Annotated Anodyne N[C@H](CNC(=O)c1cc2c(Br)cccc2[nH]1)C(=O)O ZINC000042920636 ED Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cc(N)nc(SCCN)n2)cc1 ZINC000042922067 ED Annotated Anodyne O=C(O)C1=C/C(=C\C=N/CCc2cccc(O)c2)C[C@@H](C(=O)O)N1 ZINC000042922138 ED Annotated Mild N[C@@H](CNC(=O)c1ccc2c(Br)cccc2c1)C(=O)O ZINC000042922184 ED Annotated Anodyne N[C@H](CNC(=O)c1ccc2c(Br)cccc2c1)C(=O)O ZINC000042922186 ED Annotated Anodyne Nn1c(S)nnc1-c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000042922904 ED Annotated Anodyne O=c1[nH]c2cc(CNCCCN3CCOCC3)ccc2n2cccc12 ZINC000042923664 ED Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCN(CCO)CC1 ZINC000042989727 ED Annotated Clean CO/C(=N\OC[C@H](O)CN1CCCCC1)c1nc2ccccc2o1 ZINC000043016833 ED Annotated Mild CO/C(=N\OC[C@@H](O)CN1CCCCC1)c1nc2ccccc2o1 ZINC000043016836 ED Annotated Mild COc1cc2oc(C)c(CCC(=O)O)c2cc1OS(=O)(=O)O ZINC000043019626 ED Annotated Anodyne COc1cc(CCCO)ccc1O[C@H](CO)[C@H](O)c1ccc(O)cc1 ZINC000043019720 ED Annotated Anodyne COc1cc(CCCO)ccc1O[C@H](CO)[C@@H](O)c1ccc(O)cc1 ZINC000043019724 ED Annotated Anodyne CC(C)(C)c1ccc2ncn(CC(=O)C[C@H]3NCC[C@@H]3O)c(=O)c2c1 ZINC000043020800 ED Annotated Anodyne CC1(C)CC(C(=O)ONP(=O)(N2CC2)N2CC2)CC(C)(C)N1O ZINC000043023693 ED Annotated Reactive Cc1nc(CC(C)(C)N(Cl)Cl)n(CCS(=O)(=O)O)n1 ZINC000043023838 ED Annotated Anodyne CCn1c(=O)n([C@@H](c2ccccc2)[C@H](O)CNC)c2ccccc21 ZINC000043023916 ED Annotated Anodyne CC(C)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1 ZINC000043024055 ED Annotated Mild Cc1nnc2sc(Cc3[nH]nc4nc(S)[nH]c(=S)c34)nn12 ZINC000043061934 ED Annotated Anodyne Cn1c(C(=O)NC[C@H](N)C(=O)O)cc2c(Br)cccc21 ZINC000043064572 ED Annotated Anodyne Cn1c(C(=O)NC[C@@H](N)C(=O)O)cc2c(Br)cccc21 ZINC000043064577 ED Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cc(N)nc(SCCO)n2)cc1 ZINC000043067658 ED Annotated Anodyne O=C(O)c1cnc2ccn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 ZINC000043069269 ED Annotated Bother NC(=O)c1cnc2ccn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 ZINC000043075275 ED Annotated Bother in-vivo O=C(O)C(=O)N(c1ccc2c(c1)OCCO2)c1ccccc1C(=O)O ZINC000043080240 ED Annotated Anodyne Nc1nc(CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000043080463 ED Annotated Anodyne CC(C)(C)c1cccc2ncn(CC(=O)C[C@H]3NCC[C@@H]3O)c(=O)c12 ZINC000043118432 ED Annotated Anodyne CN1CCCN(C(=O)c2cc3nc(O)c4ccccc4n3n2)CC1 ZINC000043119895 ED Annotated Anodyne O=C1C=C[C@@]23C[C@@H](NC4=C2C2=NCCc5c[nH]c(c52)C4=O)S[C@@H]3C1 ZINC000043120391 ED Annotated Mild CS(=O)(=O)c1cccc(S(=O)(=O)n2ccc3ncccc32)c1 ZINC000043121577 ED Annotated Anodyne O=C1CN(Cc2ccc3oc4cccc5c(=O)[nH]nc(c3c2)c45)CCN1 ZINC000043131446 ED Annotated Bother Cc1cc(C)n(-c2cc(-n3[nH]cc(-c4cccnc4)c3=O)ncn2)n1 ZINC000043195336 ED Annotated Anodyne N#Cc1cncc(-c2c[nH]n(-c3cc(N4CCCCC4)ncn3)c2=O)c1 ZINC000043195340 ED Annotated Mild CC(C)N1CCN(C(=O)[C@@H]2CC23CCN(C2CCOCC2)CC3)CC1 ZINC000043204122 ED Annotated Anodyne CC(C)N1CCN(C(=O)[C@H]2CC23CCN(C2CCOCC2)CC3)CC1 ZINC000043204123 ED Annotated Anodyne C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@@]1(O)[C@@H](O)c3c(O)cccc3C(=O)[C@H]21 ZINC000043211282 ED Annotated Anodyne CN1[C@@H]([C@@H]2CS/C(=C3/C=CC=CC3=O)N2)SC[C@]1(C)C(=O)O ZINC000043211947 ED Annotated Mild in-vitro CN1[C@@H]([C@@H]2CS/C(=C3/C=CC=CC3=O)N2)SC[C@@]1(C)C(=O)O ZINC000043211949 ED Annotated Mild in-vitro CC1(C)C[C@H](NC(=O)NP(=O)(N2CC2)N2CC2)C(C)(C)N1O ZINC000043260008 ED Annotated Reactive CC1(C)C[C@@H](NC(=O)NP(=O)(N2CC2)N2CC2)C(C)(C)N1O ZINC000043260012 ED Annotated Reactive C[C@@H]1CC[C@H]2CC(=O)N(CCN(C)C)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000043397075 ED Annotated Reactive C[C@@H]1CC[C@H]2CC(=O)N(CCN(C)C)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000043397076 ED Annotated Reactive C[C@@H]1CC[C@H]2CC(=O)N(CC(=O)O)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000043397101 ED Annotated Reactive C[C@@H]1CC[C@H]2CC(=O)N(CC(=O)O)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000043397102 ED Annotated Reactive CC1(C)CC(OC(=O)NP(=O)(N2CC2)N2CC2)CC(C)(C)N1O ZINC000043427307 ED Annotated Reactive C/C=C/C(=O)O[C@@H]1/C=C\[C@H](O)[C@H](OC(C)=O)CCC(=O)O[C@@H]1C ZINC000043509876 ED Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043543982 ED Annotated Reactive CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000043546665 ED Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000043553164 ED Annotated Anodyne COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000043553166 ED Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000043726930 ED Annotated Anodyne CC1(C)CC(NC(=O)NP(=O)(N2CC2)N2CC2)CC(C)(C)N1O ZINC000043800032 ED Annotated Reactive C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@H]1C[C@@H](O)[C@@]2(C)O ZINC000044182162 ED Annotated Reactive C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@H]1C[C@@H](O)[C@]2(C)O ZINC000044182165 ED Annotated Reactive COC1=CC(=O)C(C=O)=C(c2c(C)cc(OC)c(OC)c2OC)C1=O ZINC000044406068 ED Annotated Reactive COC1=C(OC)C(=O)C([C@@H]2COc3cc(OC)ccc3C2)=CC1=O ZINC000044431695 ED Annotated Mild COC1=CC(=O)C([C@@H]2COc3cc(OC)ccc3C2)=C(OC)C1=O ZINC000044431698 ED Annotated Mild C/C=C1/CN2[C@H]3Cc4c([nH]c5ccc(O)cc45)[C@]2(O)C[C@@H]1[C@@H]3CO ZINC000044606610 ED Annotated Anodyne CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(C#N)n(C)c1C)n2C ZINC000044973966 ED Annotated Mild Cc1ccc2nc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc(=O)n2c1 ZINC000004503715 ED Annotated Anodyne Cc1ccc2nc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nc(=O)n2c1 ZINC000004503716 ED Annotated Anodyne Cn1c(Cc2ccccc2)nn([C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S ZINC000004525153 ED Annotated Anodyne Cn1c(Cc2ccccc2)nn([C@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S ZINC000004525155 ED Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1C[C@H](O)O[C@@H]1O2 ZINC000004534074 ED Annotated Anodyne in-man endogenous COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1C[C@@H](O)O[C@@H]1O2 ZINC000004534075 ED Annotated Anodyne in-man endogenous CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2ccco2)C1 ZINC000004545976 ED Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2ccco2)C1 ZINC000004545977 ED Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2ccco2)C1 ZINC000004545978 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000004546347 ED Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)c1cnccn1 ZINC000004546848 ED Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)c1cnccn1 ZINC000004546852 ED Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)c1cnccn1 ZINC000004546855 ED Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)c1cnccn1 ZINC000004546856 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)NCc1cccs1 ZINC000004556102 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)NCc1cccs1 ZINC000004556104 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc(F)c(F)c1 ZINC000004564565 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cccc(F)c1 ZINC000004564612 ED Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cccc(F)c1 ZINC000004564613 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)Nc1cccc(F)c1 ZINC000004564644 ED Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)Nc1cccc(F)c1 ZINC000004564645 ED Annotated Anodyne CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O ZINC000004575416 ED Annotated Clean CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O ZINC000004575417 ED Annotated Clean CCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000004576219 ED Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 ZINC000004576221 ED Annotated Anodyne Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)NC3CC3)[C@@H]4C2=O)cc1 ZINC000004576222 ED Annotated Anodyne C[N+]1(C)C[C@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@@]([N+](=O)[O-])(C2)C1 ZINC000004580929 ED Annotated Bother C[N+]1(C)C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Oc2ccccc2)C1 ZINC000004580931 ED Annotated Bother CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccco2)o1 ZINC000004585633 ED Annotated Anodyne COc1ccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1Cl ZINC000004598008 ED Annotated Mild COc1ccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1Cl ZINC000004598009 ED Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000004612116 ED Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2ccco2)C1 ZINC000004612122 ED Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2ccco2)C1 ZINC000004612123 ED Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2ccco2)C1 ZINC000004612124 ED Annotated Anodyne COC(=O)C1=CN=C[C@@H](C(=O)OC)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000004667329 ED Annotated Anodyne COC(=O)C1=CN=C[C@H](C(=O)OC)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000004667330 ED Annotated Anodyne CCN(CC)CCNC(=O)CCN1N=C(c2ccccc2)CCC1=O ZINC000004668234 ED Annotated Anodyne CCCCN(C)CCNC(=O)CN1N=C(c2ccccc2)CCC1=O ZINC000004688110 ED Annotated Anodyne CCC/C(=N/CC(=O)O)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000004727837 ED Annotated Mild CCC/C(=N/CC(=O)O)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O ZINC000004727839 ED Annotated Mild O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)NC(=O)NCc1ccco1 ZINC000004870021 ED Annotated Anodyne CCC[C@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1 ZINC000004874107 ED Annotated Anodyne C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000004896360 ED Annotated Anodyne in-vitro C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000004896361 ED Annotated Anodyne in-vitro COCCNC(=O)[C@H](OC(=O)c1ccco1)c1ccccc1OC ZINC000004900363 ED Annotated Anodyne COCCNC(=O)[C@@H](OC(=O)c1ccco1)c1ccccc1OC ZINC000004900365 ED Annotated Anodyne COCCNC(=O)[C@H](C)OC(=O)c1nsc(Cl)c1Cl ZINC000004902004 ED Annotated Anodyne COCCNC(=O)[C@@H](C)OC(=O)c1nsc(Cl)c1Cl ZINC000004902009 ED Annotated Anodyne N#CCn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ccccc21 ZINC000004906427 ED Annotated Anodyne COC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)Cl ZINC000004923313 ED Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N[C@]1(O)C(F)(F)Cl ZINC000004923326 ED Annotated Anodyne Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)nc2n1 ZINC000004923726 ED Annotated Anodyne CCOCCCNC(=O)CN1CCN(Cc2ccccc2C)C1=O ZINC000004930578 ED Annotated Anodyne COCCCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O ZINC000004931013 ED Annotated Anodyne Cn1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n(C)c3ccccc3c21 ZINC000004938648 ED Annotated Anodyne aggregator Cn1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n(C)c3ccccc3c21 ZINC000004938651 ED Annotated Anodyne aggregator O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)[C@@H]2O)N1CCOCC1 ZINC000004961038 ED Annotated Anodyne O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)[C@H]2O)N1CCOCC1 ZINC000004961039 ED Annotated Anodyne O=C(c1cc2ccccn2n1)N1CCN(c2ccc(Cl)nn2)CC1 ZINC000004961119 ED Annotated Anodyne CCN(CCN(C)C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000004968917 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NC)c1 ZINC000045163985 ED Annotated Anodyne CCOc1ccc(OCCCON2C(=N)NC(=N)NC2(C)C)cc1 ZINC000045167756 ED Annotated Anodyne Cc1cc(Br)cnc1CCCCNC1=NC(=O)CN1C ZINC000045168569 ED Annotated Anodyne COc1ccc(OCCCCON2C(=N)NC(=N)NC2(C)C)cc1 ZINC000045168624 ED Annotated Anodyne O=C(Cn1nc(Br)nc1[N+](=O)[O-])NCC1CCCCC1 ZINC000045187254 ED Annotated Bother Cn1c(N)cc(-c2ccc(Br)cc2)c2c(=O)nc(N)nc1-2 ZINC000045190765 ED Annotated Anodyne CN(C)C(=O)n1cnc(S(=O)(=O)N(C)c2ccc(Cl)cc2)n1 ZINC000045210081 ED Annotated Anodyne CC(C)N(C)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000045230175 ED Annotated Anodyne CC(C)N(C)C(=O)n1cnc(S(=O)(=O)[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000045230177 ED Annotated Anodyne C=CCCC(=O)O[C@H](C)[C@H]1C(=O)N(C(=O)CCC=C)[C@@H]1OC(C)=O ZINC000045242058 ED Annotated Mild NC(=O)c1cc(F)ccc1Cn1ccc2cc(C(=O)NO)ncc21 ZINC000045245086 ED Annotated Anodyne Cc1c[nH]c2c(NC3CCOCC3)ncc(C(=O)N3CCOCC3)c12 ZINC000045245488 ED Annotated Anodyne Cc1cc(=O)n(CCCOc2cccc(F)c2)c(N2CCNCC2)n1 ZINC000045253581 ED Annotated Anodyne COC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(OC)c(OC)c3c21 ZINC000045253874 ED Annotated Anodyne O=C(O)[C@]1(O)C=C(OCc2cc3ccccc3s2)[C@@H](O)[C@H](O)C1 ZINC000045254079 ED Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccccc3)n1)C2 ZINC000045254908 ED Annotated Bother CCCCOC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC000045257103 ED Annotated Clean O=c1ccc(N2CCNCC2)nn1CCOc1ccccc1Cl ZINC000045257599 ED Annotated Anodyne C[C@H](Cn1nc(N2CCNCC2)ccc1=O)Oc1ccccc1Cl ZINC000045260444 ED Annotated Anodyne Cc1cc(=O)n(CCOc2ccccc2Cl)nc1N1CCNCC1 ZINC000045260474 ED Annotated Anodyne C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 ZINC000045260939 ED Annotated Anodyne C[C@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 ZINC000045260941 ED Annotated Anodyne C[C@@H](Cn1nc(N2CCNCC2)ccc1=O)Oc1ccccc1Cl ZINC000045284262 ED Annotated Anodyne O=c1ccc(N2CCNCC2)nn1CCOc1cccc(Cl)c1 ZINC000045285440 ED Annotated Anodyne C[C@@H](CC(=O)NC(=O)c1coc(Cc2ccccc2)cc1=O)C(=O)O ZINC000045286209 ED Annotated Anodyne in-vitro Cn1c(COc2cccc(Cl)c2)nc(N2CCNCC2)cc1=O ZINC000045286283 ED Annotated Anodyne C[C@@H](COc1ccccc1Cl)n1nc(N2CCNCC2)ccc1=O ZINC000045288125 ED Annotated Anodyne CCOC(=O)c1c(C)csc1NC(=O)C[C@H]1SC(=N)NC1=O ZINC000045288721 ED Annotated Anodyne CCOC(=O)c1c(C)csc1NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000045288724 ED Annotated Anodyne Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(N)cc1 ZINC000045289586 ED Annotated Clean Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(N)cc1 ZINC000045289589 ED Annotated Clean Cn1c(N2CCNCC2)nc(CCc2cccc(Cl)c2)cc1=O ZINC000045290149 ED Annotated Anodyne CCn1c(COc2cccc(C#N)c2)nc(N2CCNCC2)cc1=O ZINC000045290438 ED Annotated Mild C[C@H]1CN(c2ccc(=O)n(CCOc3ccccc3Cl)n2)CCN1 ZINC000045290494 ED Annotated Anodyne Cc1cc(N2CCNCC2)nn(CCOc2ccccc2Cl)c1=O ZINC000045290525 ED Annotated Anodyne Cc1cc(=O)n(CCCOc2ccccc2F)c(N2CCNCC2)n1 ZINC000045291006 ED Annotated Anodyne Cc1ccc(Cl)cc1OCc1nc(N2CCNCC2)cc(=O)n1C ZINC000045291085 ED Annotated Anodyne Cn1c(COc2ccccc2Cl)nc(N2CCNCC2)cc1=O ZINC000045291458 ED Annotated Anodyne Cc1ccccc1CCc1nc(N2CCNC[C@H]2C)cc(=O)n1C ZINC000045298413 ED Annotated Anodyne NC(=O)c1cc(Cn2ccc3cc(C(=O)NO)ncc32)ccc1F ZINC000045299785 ED Annotated Anodyne Cn1c(CCc2cccc(Cl)c2)nc(N2CCNCC2)cc1=O ZINC000045300145 ED Annotated Anodyne Cc1ccc(F)cc1OCc1nc(N2CCNCC2)cc(=O)n1C ZINC000045300147 ED Annotated Anodyne O=c1ccc(N2CCNCC2)nn1CCOc1ccc(Cl)cc1 ZINC000045300592 ED Annotated Anodyne C[C@H](COc1ccccc1Cl)n1nc(N2CCNCC2)ccc1=O ZINC000045300612 ED Annotated Anodyne N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 ZINC000045300808 ED Annotated Reactive N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@H]1c1ccc2c(c1)OCO2 ZINC000045300810 ED Annotated Reactive O=c1cc2c(nn1Cc1ccccc1OC(F)(F)F)CCNCC2 ZINC000045300944 ED Annotated Anodyne CC(C)(C)c1ccc(-c2cc(C(=O)N[C@@H](CO)C(=O)O)on2)cc1 ZINC000045301579 ED Annotated Anodyne CC1(C)NC(N)=NC(=N)N1OCc1cc(Cl)cc2c1OCOC2 ZINC000045303290 ED Annotated Anodyne CCOC(=O)C(=C1NCCN1)c1c(F)c(F)c(C#N)c(F)c1C#N ZINC000045314747 ED Annotated Mild Cc1cc(=O)n(CCCOc2ccccc2)c(N2CCNC[C@H]2C)n1 ZINC000045315602 ED Annotated Anodyne COc1cncc(-c2cncc(N3CCN(CCN(C)C)CC3)n2)c1 ZINC000045319728 ED Annotated Anodyne COc1cc(OC[C@H](O)CO)cc2c1c(=O)c1ccccc1n2C ZINC000045321322 ED Annotated Bother COc1cc(OC[C@@H](O)CO)cc2c1c(=O)c1ccccc1n2C ZINC000045321326 ED Annotated Bother N#CN1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000045324791 ED Annotated Anodyne N#CN1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000045324793 ED Annotated Anodyne Cc1nn(C)c2ncc3c(c12)C(=O)N(c1ccc(C(=O)O)cc1)C3=O ZINC000045336191 ED Annotated Anodyne O/N=C/c1ccc[n+](-c2ccc(-[n+]3cccc(/C=N/O)c3)s2)c1 ZINC000045338969 ED Annotated Mild CC(C)(C)C(=O)N1Cc2c(NC(=O)C3CCNCC3)n[nH]c2C1(C)C ZINC000045338997 ED Annotated Anodyne NC(=O)c1cc[n+](-c2ccc(-[n+]3ccc(/C=N/O)cc3)s2)cc1 ZINC000045339165 ED Annotated Mild CN(C)CCCNc1nc(N)c2c(n1)C(=O)C(c1ccccc1)=[N+]2[O-] ZINC000045339825 ED Annotated Anodyne O/N=C/c1cc[n+](C/C=C/C[n+]2ccc(/C=N/O)c(F)c2)cc1F ZINC000045348873 ED Annotated Mild COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C)C[C@H]3OC[C@@H]2N13 ZINC000045349059 ED Annotated Anodyne CCOC(=O)c1nnn(CS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000045349114 ED Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCO[N+](=O)[O-])O2 ZINC000045354646 ED Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCO[N+](=O)[O-])O2 ZINC000045354649 ED Annotated Anodyne CC(C)(C)C#Cc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000045355288 ED Annotated Mild CC(C)(C)C#Cc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000045355292 ED Annotated Mild N#CCCCC#Cc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000045355859 ED Annotated Mild N#CCCCC#Cc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000045355862 ED Annotated Mild O=C(O)c1ccc[n+](CCNC(=O)c2cc(Br)c[nH]2)c1 ZINC000045356608 ED Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3cccc(-c4ccccc4)c3C2=O)C(=O)N1 ZINC000045357101 ED Annotated Anodyne O=C1CC[C@H](N2C(=O)c3cccc(-c4ccccc4)c3C2=O)C(=O)N1 ZINC000045357104 ED Annotated Anodyne Cn1nccc1[C@H](OCC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000045358344 ED Annotated Anodyne Cn1nccc1[C@@H](OCC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000045358345 ED Annotated Anodyne CC(C)(C)C#Cc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000045358524 ED Annotated Mild CC(C)(C)C#Cc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000045358526 ED Annotated Mild O=C1CC[C@@H](N2C(=O)c3ccc(-c4ccccc4)cc3C2=O)C(=O)N1 ZINC000045358678 ED Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccc(-c4ccccc4)cc3C2=O)C(=O)N1 ZINC000045358680 ED Annotated Anodyne CCC1(CC)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)N1CC(=O)OC ZINC000045364094 ED Annotated Clean N#CCCCC#Cc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000045364886 ED Annotated Mild N#CCCCC#Cc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000045364889 ED Annotated Mild CN(C)CCNC(=O)c1cc(-c2scc3c2OCCO3)cnc1N ZINC000045365283 ED Annotated Anodyne NC(=O)c1cc[n+](-c2ccc(-[n+]3cccc(/C=N/O)c3)s2)cc1 ZINC000045371240 ED Annotated Mild CC(=O)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000045371385 ED Annotated Anodyne O/N=C/c1cc[n+](-c2ccc(-[n+]3ccc(/C=N/O)cc3)s2)cc1 ZINC000045372972 ED Annotated Mild C=CCN1C(=O)/C(=C\c2cc3ccccc3n2C)C(=O)NC1=S ZINC000045384847 ED Annotated Mild O/N=C/c1cccc[n+]1-c1ccc(-[n+]2ccccc2/C=N/O)s1 ZINC000045385874 ED Annotated Mild C[S@@](=O)c1ccc(C2=C(c3ccc(O)cc3)C(=O)NC2=O)cc1 ZINC000045387554 ED Annotated Anodyne C[S@](=O)c1ccc(C2=C(c3ccc(O)cc3)C(=O)NC2=O)cc1 ZINC000045387558 ED Annotated Anodyne CCCCNC(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)NCCCC)CO[C@H]12 ZINC000045389434 ED Annotated Anodyne CCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1 ZINC000045389757 ED Annotated Anodyne C=C1OC(=O)[C@@]2([C@H](/C=C/[C@H](C)C[C@H](C)CC)C=C[C@@H](O)[C@@H]2O)[C@H]1O ZINC000045495057 ED Annotated Mild C=C(C)[C@H](O)CC1=C(OC)C(=O)c2cc(OC)c(O)c(O)c2C1=O ZINC000045496262 ED Annotated Mild C=C(C)[C@@H](O)CC1=C(OC)C(=O)c2cc(OC)c(O)c(O)c2C1=O ZINC000045496264 ED Annotated Mild CCC[C@@H](O)C[C@H]1OC(=O)c2c(cc(OC)c(OC)c2O)[C@H]1O ZINC000045497872 ED Annotated Anodyne O/N=C\c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N\O)cc2)cc1 ZINC000045498862 ED Annotated Mild O/N=C/c1ccc[n+](Cc2ccccc2C[n+]2cccc(/C=N/O)c2)c1 ZINC000045506441 ED Annotated Mild O/N=C/c1cccc[n+]1Cc1ccccc1C[n+]1ccccc1/C=N/O ZINC000045506445 ED Annotated Mild OCCCCCCCCCCCC[S@@+]1C[C@@H](O)[C@@H]([C@H](O)CO)C1 ZINC000473081820 ED Annotated Mild OCCCCCCCCCCCC[S@+]1C[C@@H](O)[C@@H]([C@H](O)CO)C1 ZINC000473081821 ED Annotated Mild O=C(O)Cn1c(=O)c(Oc2cc(O)cc(O)c2)nc2ccc(F)cc21 ZINC000473082307 ED Annotated Anodyne C[C@]1(C(=O)O)CSC(c2ccc(OCCOCCO)cc2O)=N1 ZINC000473083177 ED Annotated Anodyne CCOC(=O)c1csc(NC(=O)C[n+]2cccc(/C=N/O)c2)n1 ZINC000473084116 ED Annotated Mild O=C(O)c1cn2c3c(c(N4CCC4)c(F)cc3c1=O)OC[C@@H]2CF ZINC000473084123 ED Annotated Anodyne CCN1C(=O)[C@]2(Cn3nncc3CO2)c2cc(Br)ccc21 ZINC000473084180 ED Annotated Anodyne CCN1C(=O)[C@@]2(Cn3nncc3CO2)c2cc(Br)ccc21 ZINC000473084182 ED Annotated Anodyne N=c1nc2c(c[nH]1)C[C@H](NC(=O)c1cc(Br)c[nH]1)CC2 ZINC000473086282 ED Annotated Anodyne N=c1nc2c(c[nH]1)C[C@@H](NC(=O)c1cc(Br)c[nH]1)CC2 ZINC000473086289 ED Annotated Anodyne CN1C(=O)[C@@]2(Cn3nncc3CO2)c2cc(Br)ccc21 ZINC000473086402 ED Annotated Anodyne CN1C(=O)[C@]2(Cn3nncc3CO2)c2cc(Br)ccc21 ZINC000473086404 ED Annotated Anodyne Cc1nc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)nn1C(=O)N(C)C(C)C ZINC000473087240 ED Annotated Anodyne O=C(N1CCCCC1)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473088479 ED Annotated Anodyne N=c1nc2c(c[nH]1)C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000473089760 ED Annotated Anodyne N=c1nc2c(c[nH]1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000473089761 ED Annotated Anodyne CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473089897 ED Annotated Anodyne CCN1C(=O)NC2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000473090896 ED Annotated Clean CCN1C(=S)N2CCC[C@@H]2c2c(O)nc(CN3CCOCC3)nc21 ZINC000473094026 ED Annotated Anodyne CCN1C(=S)N2CCC[C@H]2c2c(O)nc(CN3CCOCC3)nc21 ZINC000473094027 ED Annotated Anodyne CO[C@@H]1[C@H]2[C@H](O)O[C@@]3([C@@H](OC(C)=O)C/C(C)=C/[C@H]1O)[C@@H]2CC3(C)C ZINC000473096986 ED Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(CCCO)CC2)C1=O ZINC000473097170 ED Annotated Anodyne O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nccc(-c2ccccc2)n1 ZINC000473111207 ED Annotated Bother O=C(O)CCc1nc(SCC(=O)Nc2nc3ccccc3[nH]2)n[nH]1 ZINC000473111640 ED Annotated Anodyne CCOC(=O)[C@@H]1C2=C(CCCC2=O)n2c(=O)c3ccccc3c(=O)n21 ZINC000473112952 ED Annotated Mild CCOC(=O)[C@H]1C2=C(CCCC2=O)n2c(=O)c3ccccc3c(=O)n21 ZINC000473112955 ED Annotated Mild CCN1C(C(=O)NC2CC2)=C(Cl)c2ccccc2S1(=O)=O ZINC000473113074 ED Annotated Anodyne O=C1C[C@@H](CBr)N1OS(=O)(=O)c1cccs1 ZINC000473114341 ED Annotated Reactive O=C1C[C@H](CBr)N1OS(=O)(=O)c1cccs1 ZINC000473114345 ED Annotated Reactive COc1nc(N2CC(OC)C2)nc(OC)c1NC(=O)CC(C)(C)C ZINC000473114683 ED Annotated Anodyne Cc1ccc(S(=O)(=O)ON2C(=O)C[C@@H]2CBr)cc1 ZINC000473114930 ED Annotated Reactive Cc1ccc(S(=O)(=O)ON2C(=O)C[C@H]2CBr)cc1 ZINC000473114935 ED Annotated Reactive COCCN(C)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1 ZINC000473115331 ED Annotated Anodyne CCOC(=O)[C@@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21 ZINC000473115522 ED Annotated Clean CCOC(=O)[C@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21 ZINC000473115523 ED Annotated Clean COc1ccc2c(OC)ccc(C(=O)O[C@H](C(N)=O)[C@@]3(C)CO3)c2c1 ZINC000473117381 ED Annotated Anodyne COc1ccc2c(OC)ccc(C(=O)O[C@@H](C(N)=O)[C@@]3(C)CO3)c2c1 ZINC000473117382 ED Annotated Anodyne COc1ccc2c(OC)ccc(C(=O)O[C@H](C(N)=O)[C@]3(C)CO3)c2c1 ZINC000473117383 ED Annotated Anodyne COc1ccc2c(OC)ccc(C(=O)O[C@@H](C(N)=O)[C@]3(C)CO3)c2c1 ZINC000473117384 ED Annotated Anodyne CNS(=O)(=O)c1cccc(N=c2[nH]c(Cl)nc3[nH]cnc23)c1 ZINC000473118928 ED Annotated Anodyne N[C@@H](Cc1cn(Cc2cn(CCF)nn2)c2ccccc12)C(=O)O ZINC000473120424 ED Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(C)c3ccccc3C[C@@H](CN(C)C)N2C1=O ZINC000473120468 ED Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C)c3ccccc3C[C@@H](CN(C)C)N2C1=O ZINC000473120469 ED Annotated Anodyne C[C@@]1(O)c2ccc3c(c2C(=O)c2occ([C@@H](O)CCO)c21)CCC3=O ZINC000473122335 ED Annotated Anodyne C[C@]1(O)c2ccc3c(c2C(=O)c2occ([C@@H](O)CCO)c21)CCC3=O ZINC000473122339 ED Annotated Anodyne Oc1cccc(N=c2[nH]c(=NCCc3cnc[nH]3)[nH]c3[nH]cnc23)c1 ZINC000473122435 ED Annotated Anodyne COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O ZINC000473122512 ED Annotated Anodyne C[C@@]12CC=C3OC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)[C@@H]3O ZINC000473123477 ED Annotated Anodyne C[C@@]12CC[C@H]3OC(=O)C=C3[C@H]1CC[C@@]13C[C@H](CC[C@]12O)[C@@](O)(CO)C3 ZINC000473123533 ED Annotated Anodyne C[C@@]12CC[C@@]3(O)OC(=O)C=C3[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000473125647 ED Annotated Anodyne C[C@]12C(=O)O[C@@H]3C[C@H]4[C@H]5OC(=O)C=C5CC[C@H]4[C@]4(CC[C@@]1(O)OC4)[C@@H]32 ZINC000473129472 ED Annotated Anodyne CC[C@@H](C(=O)N1CCN(c2cccc(F)c2)CC1)N1C(=O)CCC1=O ZINC000473130041 ED Annotated Anodyne CC[C@H](C(=O)N1CCN(c2cccc(F)c2)CC1)N1C(=O)CCC1=O ZINC000473130046 ED Annotated Anodyne CC[C@@H](C(=O)N1CCN(c2cccc(C)c2)CC1)N1C(=O)CCC1=O ZINC000473130083 ED Annotated Anodyne CC[C@H](C(=O)N1CCN(c2cccc(C)c2)CC1)N1C(=O)CCC1=O ZINC000473130084 ED Annotated Anodyne COc1ccc(Cc2nnc(O)n2/N=C/c2ccc(O)c(O)c2)cc1 ZINC000473130113 ED Annotated Mild C[C@]12C(=O)O[C@@H]3C[C@H]4C5=C(CC[C@H]4[C@@]4(CC[C@@]1(O)OC4)[C@@H]32)C(=O)CO5 ZINC000473130183 ED Annotated Mild CCCCc1nc(Cl)c(C(=O)N[C@H](C(=O)OC)[C@H](C)O)n1C ZINC000473130919 ED Annotated Anodyne CSCC[C@H](NC(=O)Cc1cccs1)C(=O)SCC(=O)O ZINC000473131286 ED Annotated Anodyne NS(=O)(=O)c1cc(-c2cnc(C(=O)N3CCCC3)o2)cs1 ZINC000473133101 ED Annotated Anodyne Cc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O ZINC000473133131 ED Annotated Anodyne NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)s1 ZINC000473133413 ED Annotated Anodyne C[C@@H](Oc1nc(-c2cnn(C)c2)cc2ncsc12)[C@H]1CNC(=O)C1 ZINC000473134010 ED Annotated Anodyne CS(=O)(=O)OCCCCCCCCCn1cc(CCCO)nn1 ZINC000473134960 ED Annotated Mild CCC(=O)N1CCC(n2cc(-c3cc(C(=O)O)ccn3)nn2)CC1 ZINC000473135974 ED Annotated Anodyne CCCC(=O)N1CC[C@@H](n2cc(-c3cc(C(=O)O)ccn3)nn2)C1 ZINC000473136034 ED Annotated Anodyne CCCC(=O)N1CC[C@H](n2cc(-c3cc(C(=O)O)ccn3)nn2)C1 ZINC000473136035 ED Annotated Anodyne C[C@@H](Oc1nc(-c2cnn(C)c2)cc2nscc12)[C@H]1CNC(=O)C1 ZINC000473136895 ED Annotated Anodyne O=C(/C=C/c1ccc(F)c(F)c1)OCCc1cnnn1CCCO ZINC000473137226 ED Annotated Anodyne COC(=O)[C@@H]1N2C(=O)[C@H](Br)[C@H]2S[C@@]1(C)CCl ZINC000473144903 ED Annotated Reactive O=C(O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000473152839 ED Annotated Clean C=C1C2=C(C(=O)N1OC)[C@H](OC(C)=O)[C@@](C)(O)[C@H](CCCCC)O2 ZINC000473152893 ED Annotated Anodyne CN1CCN(c2nc(/C=C/c3c[nH]c4ccccc34)nc(=N)[nH]2)CC1 ZINC000473153370 ED Annotated Anodyne CN1CCN(c2nc(/C=C/c3ccc(Cl)cc3)nc(=N)[nH]2)CC1 ZINC000473153922 ED Annotated Anodyne CN1CCN(c2nc(/C=C/c3cccc(Cl)c3)nc(=N)[nH]2)CC1 ZINC000473155091 ED Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)OCC)C12C(=O)Nc1ccc(Cl)cc12 ZINC000473155121 ED Annotated Anodyne CN1CCN(c2nc(/C=C/c3cccc([N+](=O)[O-])c3)nc(=N)[nH]2)CC1 ZINC000473155139 ED Annotated Bother Nc1ncc(Cl)nc1-c1nc(=Nc2ccc3nc(O)oc3c2)[nH]o1 ZINC000473155153 ED Annotated Anodyne CONc1cc(-c2ccc(C)cc2)oc(=O)c1C(=O)NCCCO ZINC000473157264 ED Annotated Anodyne CCc1cnc(N)c(-c2nc(=Nc3ccc4nc(O)oc4c3)[nH]o2)n1 ZINC000473159672 ED Annotated Anodyne CN1CCN(c2nc(/C=C/c3ccccc3Cl)nc(=N)[nH]2)CC1 ZINC000473160491 ED Annotated Anodyne NC1CCN(c2nc(N=c3cc(C4CC4)[nH][nH]3)c3occc3n2)CC1 ZINC000473166168 ED Annotated Anodyne Cc1cc(=Nc2nc(N3CCC(N)CC3)nc3ccsc23)[nH][nH]1 ZINC000473170123 ED Annotated Anodyne O=C(NCCCN=c1[nH]c2ccccc2[nH]1)C1CCC(CO)CC1 ZINC000473171717 ED Annotated Anodyne O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1ccc2c(c1)OCO2 ZINC000473171794 ED Annotated Anodyne CN=c1ccc(CNc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c[nH]1 ZINC000473172495 ED Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O)[C@H](C)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197565 ED Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O)[C@H](C)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197571 ED Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O)[C@@H](C)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197574 ED Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O)[C@@H](C)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197576 ED Annotated Anodyne COCc1cc(=O)n2[nH]c(=NCc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473247406 ED Annotated Mild O=S(=O)(N[C@@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CC1 ZINC000473247553 ED Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CC1 ZINC000473247554 ED Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CC1 ZINC000473247556 ED Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CC1 ZINC000473247557 ED Annotated Anodyne CCCc1cc(=O)n2[nH]c(=NCc3ccc(Cl)nc3)c(C#N)c2[nH]1 ZINC000473249946 ED Annotated Mild CC[C@@H](CO)Oc1ccc(-c2n[nH]cc2CN(C)CCNC)cc1 ZINC000474606088 ED Annotated Anodyne CC[C@H](CO)Oc1ccc(-c2n[nH]cc2CN(C)CCNC)cc1 ZINC000474606093 ED Annotated Anodyne CN1C(=O)/C(=C\c2ccc(=O)n(Cc3ccccc3)c2)NC1=S ZINC000474609270 ED Annotated Anodyne CN(C)CCOc1cc(N2C[C@H]3CNC[C@@H](C3)C2)cc(F)c1F ZINC000474609860 ED Annotated Anodyne CCCN1CCC(N2CCC(Cn3cc(C[C@@H](C)O)nn3)CC2)CC1 ZINC000048063605 ED Annotated Anodyne CCCN1CCC(N2CCC(Cn3cc(C[C@H](C)O)nn3)CC2)CC1 ZINC000048063607 ED Annotated Anodyne C[C@@H](CCn1cccn1)N1CCC(n2cc(C(C)(C)N)nn2)CC1 ZINC000048130211 ED Annotated Anodyne C[C@H](CCn1cccn1)N1CCC(n2cc(C(C)(C)N)nn2)CC1 ZINC000048130213 ED Annotated Anodyne CC(=O)c1ccc(-c2cnn(CC(=O)Nc3cc(C)nn3C)c2)nc1 ZINC000048224007 ED Annotated Anodyne C[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C=C(F)C1=O ZINC000048998434 ED Annotated Mild CCCN(CCC)CCNc1n[n+](=O)c2c3c(ccc2n1O)CCC3 ZINC000049014046 ED Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC[C@@](CO)(CN1CCCC1)C3=O ZINC000049033343 ED Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC[C@](CO)(CN1CCCC1)C3=O ZINC000049033345 ED Annotated Anodyne COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(C#N)cc2)cc1OC ZINC000049051312 ED Annotated Mild COC(=O)c1cccc(CN2C(=O)/C(=C/C(N)=O)c3ccccc32)c1 ZINC000049052771 ED Annotated Anodyne NC(=O)CC[C@@H](C(=O)O)N1C(=O)c2cccc3cccc(c23)C1=O ZINC000049054053 ED Annotated Anodyne NC(=O)CC[C@H](C(=O)O)N1C(=O)c2cccc3cccc(c23)C1=O ZINC000049054056 ED Annotated Anodyne C#CCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(N=C=S)cc1 ZINC000049055533 ED Annotated Reactive COC(=O)[C@@](O)(Cc1nc2sccn2c1[N+](=O)[O-])C(F)(F)F ZINC000049067159 ED Annotated Bother COC(=O)[C@](O)(Cc1nc2sccn2c1[N+](=O)[O-])C(F)(F)F ZINC000049067161 ED Annotated Bother CN1CCC(=O)[C@]2(CCN(C)[C@]23C(=O)Nc2ccc(Cl)cc23)C1 ZINC000049067838 ED Annotated Anodyne CN1CCC(=O)[C@@]2(CCN(C)[C@]23C(=O)Nc2ccc(Cl)cc23)C1 ZINC000049067840 ED Annotated Anodyne CN1CC[C@]2(CN(N=O)CCC2=O)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000049067842 ED Annotated Anodyne CN1CC[C@@]2(CN(N=O)CCC2=O)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000049067844 ED Annotated Anodyne CCCCCC(=O)Nc1nc(N(C)C)nc2nc(-c3ccco3)nn12 ZINC000049067910 ED Annotated Anodyne Nc1nc(N2CCC(N)(C(=O)O)CC2)c2c(n1)C1(CCCC1)CCC2 ZINC000049070855 ED Annotated Anodyne CN1C(=O)[C@@](O)(Cc2nc3sccn3c2[N+](=O)[O-])c2ccccc21 ZINC000049071336 ED Annotated Bother CN1C(=O)[C@](O)(Cc2nc3sccn3c2[N+](=O)[O-])c2ccccc21 ZINC000049071338 ED Annotated Bother O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(F)c1O ZINC000049072076 ED Annotated Reactive Cc1ccc2c(c1)[C@]1(C(=O)N2)N(C)CC[C@@]12CN(N=O)CCC2=O ZINC000049073126 ED Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(=O)N2)N(C)CC[C@@]12CN(N=O)CCC2=O ZINC000049073127 ED Annotated Anodyne Cc1ccc2c(c1)[C@]1(C(=O)N2)N(C)CC[C@]12CN(N=O)CCC2=O ZINC000049073129 ED Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(=O)N2)N(C)CC[C@]12CN(N=O)CCC2=O ZINC000049073131 ED Annotated Anodyne COc1ccncc1C1=NN=C(O)/C1=N\Nc1ccc(C(=O)O)cc1 ZINC000049089145 ED Annotated Mild NS(=O)(=O)c1cnc(Sc2ccc(F)c(F)c2)c(CO)c1 ZINC000049089445 ED Annotated Anodyne CN1CCC=C([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 ZINC000049089504 ED Annotated Bother CN1CCC=C([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 ZINC000049089505 ED Annotated Bother CN1CCC=C([C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 ZINC000049089562 ED Annotated Bother CN1CCC=C([C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 ZINC000049089563 ED Annotated Bother C[C@@H]1CC(=O)[C@H]2C[C@]1(O)[C@]2(C)COC(=O)c1cc(O)c(O)c(O)c1 ZINC000049089629 ED Annotated Clean COC1(OC)C(=O)N(C[C@H](O)CN=[N+]=[N-])c2ccc(Cl)cc21 ZINC000049109996 ED Annotated Clean COC1(OC)C(=O)N(C[C@@H](O)CN=[N+]=[N-])c2ccc(Cl)cc21 ZINC000049109998 ED Annotated Clean C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C[C@@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@H]2O ZINC000049111033 ED Annotated Mild CCCN(CCC)CCNc1n[n+](=O)c2cc3c(cc2n1O)CCC3 ZINC000049111242 ED Annotated Anodyne CCn1nc(C(=O)O)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O ZINC000049111417 ED Annotated Bother C=C(C)[C@@H]1CC(=O)C[C@@H]2O[C@](C)(CC2=O)C[C@@H]2C=C(C(=O)O2)[C@@H](O)C1 ZINC000049111498 ED Annotated Mild COC1=CC[C@]23CCN(C)[C@@]24C[C@H](O[C@@]14O)c1ccc(OC)c(O)c13 ZINC000049112017 ED Annotated Anodyne biogenic in-vivo CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccccc1 ZINC000049112260 ED Annotated Anodyne CN1CCC=C([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 ZINC000049112644 ED Annotated Bother CN1CCC=C([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 ZINC000049112645 ED Annotated Bother Nc1n[nH]c2nc3scc(-c4ccc([N+](=O)[O-])cc4)n3c(=O)c12 ZINC000049112720 ED Annotated Bother N#Cc1cnn(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)c1N ZINC000049112925 ED Annotated Mild C=C(C)[C@H]1CC[C@]23O[C@H]2[C@@H](C[C@@]2(C)CC(=O)[C@@H](CC(=O)C1)O2)OC3=O ZINC000049113146 ED Annotated Mild N=C1c2c(C(N)=O)nc(-c3ccccc3O)n2CN1c1ccc(O)cc1 ZINC000049113337 ED Annotated Anodyne NC(=O)c1ccc(-c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)cc1 ZINC000049115513 ED Annotated Clean Nc1ccc2sc(NC(=S)NC(=O)N3CCOCC3)nc2c1 ZINC000049115721 ED Annotated Anodyne C#CCOC[C@H](NC(C)=O)C(=O)NCc1ccc(N=C=S)cc1 ZINC000049116242 ED Annotated Reactive O=C(NC[C@H]1N=Cc2cncnc21)[C@H](c1ccccc1)N1CCC1=O ZINC000049771999 ED Annotated Anodyne O=C(NC[C@H]1N=Cc2cncnc21)[C@@H](c1ccccc1)N1CCC1=O ZINC000049772000 ED Annotated Anodyne O=C(NC[C@@H]1N=Cc2cncnc21)[C@H](c1ccccc1)N1CCC1=O ZINC000049772001 ED Annotated Anodyne O=C(NC[C@@H]1N=Cc2cncnc21)[C@@H](c1ccccc1)N1CCC1=O ZINC000049772002 ED Annotated Anodyne O=C1Nc2ccccc2[C@]1(O)Cc1nc2sccn2c1[N+](=O)[O-] ZINC000049784794 ED Annotated Bother O=C1Nc2ccccc2[C@@]1(O)Cc1nc2sccn2c1[N+](=O)[O-] ZINC000049784795 ED Annotated Bother C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C/C(C)=C/C(=O)[C@@H](O)CC(=O)C1)[C@H]2O ZINC000049785832 ED Annotated Mild ClC[C@H]1[C@@H]2O[C@H]3[C@@H](OC[C@@H]13)[C@H]2n1cnc2c(Cl)ncnc21 ZINC000049802672 ED Annotated Reactive O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(F)cc1 ZINC000049802674 ED Annotated Anodyne C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+](=O)c(C)c(C)n2O ZINC000049803193 ED Annotated Mild O=c1c2cn(-c3ccc(O)cc3)nc2c2cc(O)c(O)cc2n1O ZINC000049803249 ED Annotated Clean O=c1c2cn(-c3ccc(O)cc3)nc2c2c(O)ccc(O)c2n1O ZINC000049803250 ED Annotated Anodyne CN(C/C=C/c1ccccc1)Cc1ccc2c(c1)=[N+]([O-])C(C)(C)[N+]=2[O-] ZINC000049807442 ED Annotated Anodyne Cc1ccc2c(c1)[C@]1(SC[C@H]3C(=O)N4CCC[C@H]4C(=O)N31)C(=O)N2 ZINC000049807858 ED Annotated Anodyne O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccccc1F ZINC000049808021 ED Annotated Anodyne Cc1ccc2c(c1)[C@@]1(SC[C@H]3C(=O)N4CCC[C@H]4C(=O)N31)C(=O)N2 ZINC000049808240 ED Annotated Anodyne Cc1cccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)c1 ZINC000049808283 ED Annotated Anodyne C[C@@H]1CN([C@H](C(=O)NC[C@H]2N=Cc3cncnc32)c2ccccc2)C1=O ZINC000049817620 ED Annotated Anodyne C[C@@H]1CN([C@@H](C(=O)NC[C@H]2N=Cc3cncnc32)c2ccccc2)C1=O ZINC000049817625 ED Annotated Anodyne C1CC2(CCO1)OOC1(CCOCC1)OOC1(CCOCC1)OO2 ZINC000049867764 ED Annotated Reactive CN1C(C(=O)Nc2cccc[n+]2C)=C(O)c2ccccc2S1(=O)=O ZINC000049908136 ED Annotated Anodyne CC(C)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000000541827 ED Annotated Anodyne COc1ccc(/C=c2/sc3n(c2=O)NC2(CCCCC2)NN=3)cc1 ZINC000000573224 ED Annotated Anodyne CCCc1cn(S(=O)(=O)c2ccc(OC)cc2OC)nc1N ZINC000000612596 ED Annotated Anodyne aggregator CC(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)C1 ZINC000000768762 ED Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)C1 ZINC000000768763 ED Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)C1 ZINC000000768764 ED Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)C1 ZINC000000768765 ED Annotated Anodyne C[C@@]1(C(=O)N[C@H]2CCCCNC2=O)CON=C1c1ccc(Cl)cc1 ZINC000000769233 ED Annotated Anodyne C[C@]1(C(=O)N[C@H]2CCCCNC2=O)CON=C1c1ccc(Cl)cc1 ZINC000000769234 ED Annotated Anodyne C[C@@]1(C(=O)N[C@@H]2CCCCNC2=O)CON=C1c1ccc(Cl)cc1 ZINC000000769235 ED Annotated Anodyne C[C@]1(C(=O)N[C@@H]2CCCCNC2=O)CON=C1c1ccc(Cl)cc1 ZINC000000769236 ED Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1 ZINC000000769424 ED Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1 ZINC000000769425 ED Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1 ZINC000000769426 ED Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1 ZINC000000769427 ED Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000000769527 ED Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCC(C)(C)CO)cc1 ZINC000000769874 ED Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCC(C)(C)CO)cc1 ZINC000000769875 ED Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@@H](C)CN(C)C ZINC000000770451 ED Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@@H](C)CN(C)C ZINC000000770452 ED Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@H](C)CN(C)C ZINC000000770453 ED Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@H](C)CN(C)C ZINC000000770454 ED Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCC(C)(C)CO ZINC000000771054 ED Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCC(C)(C)CO ZINC000000771055 ED Annotated Anodyne C[C@@]1(C(=O)N[C@H]2CCCCNC2=O)CON=C1c1cccc(Cl)c1 ZINC000000772704 ED Annotated Anodyne C[C@]1(C(=O)N[C@H]2CCCCNC2=O)CON=C1c1cccc(Cl)c1 ZINC000000772705 ED Annotated Anodyne C[C@@]1(C(=O)N[C@@H]2CCCCNC2=O)CON=C1c1cccc(Cl)c1 ZINC000000772706 ED Annotated Anodyne C[C@]1(C(=O)N[C@@H]2CCCCNC2=O)CON=C1c1cccc(Cl)c1 ZINC000000772707 ED Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773862 ED Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773863 ED Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775450 ED Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775451 ED Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC[C@H](O)CO ZINC000000776332 ED Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC[C@@H](O)CO ZINC000000776333 ED Annotated Anodyne CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000000803174 ED Annotated Anodyne C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000000896055 ED Annotated Anodyne C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000000896056 ED Annotated Anodyne CO[C@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)O[C@H]2CN(C)[C@H]3C1)OCO5 ZINC000000897600 ED Annotated Anodyne c1cc2n(c1)[C@H](N1CCOCC1)c1cccn1[C@@H]2N1CCOCC1 ZINC000005004969 ED Annotated Anodyne c1cc2n(c1)[C@H](N1CCOCC1)c1cccn1[C@H]2N1CCOCC1 ZINC000005004970 ED Annotated Anodyne c1cc2n(c1)[C@@H](N1CCOCC1)c1cccn1[C@H]2N1CCOCC1 ZINC000005004972 ED Annotated Anodyne Cc1cccc(OCC(=O)NNS(=O)(=O)c2ccccc2F)c1 ZINC000005023252 ED Annotated Reactive COc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1 ZINC000005027563 ED Annotated Anodyne CCOC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O ZINC000005032946 ED Annotated Anodyne CCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N ZINC000005034652 ED Annotated Anodyne CCOC(=O)C1CCN(c2c(N(C)Cc3ccco3)c(=O)c2=O)CC1 ZINC000005034869 ED Annotated Anodyne Cc1cc(C)n(CCc2nc3c4ccccc4n(CC#N)c(=O)n3n2)n1 ZINC000005035637 ED Annotated Mild COCCCNC(=O)[C@@H]1CC(=O)O[C@@H]1c1ccc(OC)c(OC)c1 ZINC000005035883 ED Annotated Anodyne COCCCNC(=O)[C@H]1CC(=O)O[C@@H]1c1ccc(OC)c(OC)c1 ZINC000005035884 ED Annotated Anodyne COCCCNC(=O)[C@@H]1CC(=O)O[C@H]1c1ccc(OC)c(OC)c1 ZINC000005035885 ED Annotated Anodyne COCCCNC(=O)[C@H]1CC(=O)O[C@H]1c1ccc(OC)c(OC)c1 ZINC000005035886 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(CO)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000005037434 ED Annotated Mild CN(CC(=O)N1CCCCC1)S(=O)(=O)c1cccc2cccnc12 ZINC000005067852 ED Annotated Anodyne CCCN(CCC)c1c(N2CCN(C(=O)OCC)CC2)c(=O)c1=O ZINC000005068728 ED Annotated Anodyne Cc1cc(=O)[nH]/c(=N\N=C\c2ccc(OC(=O)c3cccnc3)cc2)[nH]1 ZINC000005071661 ED Annotated Mild CCCc1c(O)nc(SCC(=O)N2CCCCCC2)[nH]c1=O ZINC000005095312 ED Annotated Anodyne CCOC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 ZINC000005100665 ED Annotated Anodyne CCOC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 ZINC000005100668 ED Annotated Anodyne CCOC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 ZINC000005100670 ED Annotated Anodyne CC[C@@H](C)c1c(O)nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c1=O ZINC000005129473 ED Annotated Anodyne CC[C@H](C)c1c(O)nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c1=O ZINC000005129476 ED Annotated Anodyne CC[C@@H](C)c1c(O)nc(SCC(=O)NC[C@H]2CCCO2)[nH]c1=O ZINC000005129479 ED Annotated Anodyne CC[C@H](C)c1c(O)nc(SCC(=O)NC[C@H]2CCCO2)[nH]c1=O ZINC000005129483 ED Annotated Anodyne CC[C@@H](C)c1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O ZINC000005129500 ED Annotated Anodyne CC[C@H](C)c1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O ZINC000005129504 ED Annotated Anodyne CC(C)Cc1c(O)nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c1=O ZINC000005129537 ED Annotated Anodyne CC(C)Cc1c(O)nc(SCC(=O)NC[C@H]2CCCO2)[nH]c1=O ZINC000005129541 ED Annotated Anodyne C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000005132688 ED Annotated Anodyne CC[N+]1([O-])C=C(C(=O)O)C(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000005140195 ED Annotated Mild in-man COc1ccc(NC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000005140243 ED Annotated Anodyne COc1ccc(NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000005140251 ED Annotated Anodyne NC(=O)C1CCN(C(=O)Cn2cccc2C(=O)c2ccccc2)CC1 ZINC000005142675 ED Annotated Anodyne O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCOCC1 ZINC000005144241 ED Annotated Anodyne aggregator CCOC(=O)C1CCN(C(=O)Cn2cc3c(n2)CC[C@H](C)C3)CC1 ZINC000005147808 ED Annotated Anodyne CCOC(=O)C1CCN(C(=O)Cn2cc3c(n2)CC[C@@H](C)C3)CC1 ZINC000005147815 ED Annotated Anodyne CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCCCC3)CC1 ZINC000005148635 ED Annotated Anodyne CC[C@@H](C)NC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1 ZINC000005148887 ED Annotated Anodyne CC[C@H](C)NC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1 ZINC000005148888 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cccnc2)nc1 ZINC000005166932 ED Annotated Mild O=C1/C(=C/NN2CCOCC2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000005224495 ED Annotated Clean C=C(C)C(=O)O[C@@H]1C/C(CO)=C\[C@H](O)C/C(C)=C/[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000005395938 ED Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N[C@@H](C)c1ccccc1 ZINC000005403407 ED Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1CC(=O)N[C@H](C)c1ccccc1 ZINC000005403410 ED Annotated Anodyne CCNc1nc(NCC)nc(N/N=C/c2ccc(C(=O)OC)cc2)n1 ZINC000005415313 ED Annotated Mild COc1nc(N)c([N+](=O)[O-])c(C(Br)Br)n1 ZINC000005486890 ED Annotated Reactive C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)/C=C\[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000005492453 ED Annotated Mild in-vitro biogenic CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H]2CCl ZINC000005497387 ED Annotated Reactive CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)C[C@H]2CCl ZINC000005497388 ED Annotated Reactive C=C1[C@@H]2CC[C@H]3C(C)=C[C@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)[C@H]3O ZINC000005497722 ED Annotated Mild O=C1C(Cl)=C(N2CCSCC2)C(=O)c2c(O)ccc(O)c21 ZINC000005498625 ED Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)C(=C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O ZINC000523041942 ED Annotated Reactive C=C[C@]1(C)[C@H](OC(=O)C(=C)C)[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)[C@H]1C(=C)C=O ZINC000523042076 ED Annotated Reactive biogenic CCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN3[C@@H](C)CO[C@H]1[C@@H]23 ZINC000052996711 ED Annotated Mild CCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN3[C@@H](C)CO[C@H]1[C@H]23 ZINC000052996712 ED Annotated Mild CCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN3[C@@H](C)CO[C@@H]1[C@@H]23 ZINC000052996713 ED Annotated Mild CCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN3[C@@H](C)CO[C@@H]1[C@H]23 ZINC000052996714 ED Annotated Mild C[C@H]1CO[C@H]2C(CN3CCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996720 ED Annotated Mild C[C@H]1CO[C@@H]2C(CN3CCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996721 ED Annotated Mild C[C@H]1CO[C@H]2C(CN3CCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000052996722 ED Annotated Mild C[C@H]1CO[C@@H]2C(CN3CCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000052996723 ED Annotated Mild C[C@@H]1CO[C@H]2C(Cn3ccnc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996781 ED Annotated Mild C[C@H]1CO[C@H]2C(Cn3ccnc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996782 ED Annotated Mild C[C@@H]1CO[C@@H]2C(Cn3ccnc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996783 ED Annotated Mild C[C@H]1CO[C@@H]2C(Cn3ccnc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996784 ED Annotated Mild C[C@@H]1CO[C@H]2C(CN3CCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053006592 ED Annotated Mild C[C@@H]1CO[C@@H]2C(CN3CCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053006593 ED Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(Cn3ccnc3)[C@H]2F)C1=O ZINC000053006979 ED Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(Cn3ccnc3)[C@H]2F)C1=O ZINC000053006980 ED Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(Cn3ccnc3)[C@@H]2F)C1=O ZINC000053006981 ED Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(Cn3ccnc3)[C@@H]2F)C1=O ZINC000053006982 ED Annotated Mild CC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000053021570 ED Annotated Anodyne biogenic in-vivo C/C(=N\C(=N\c1ccccc1)N1CCOCC1)N1CCN(C)CC1 ZINC000053093623 ED Annotated Mild C/C(=N\C(=O)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)N(C)C ZINC000053149753 ED Annotated Mild CCOC(=O)c1cnc2c(Br)cnn2c1NCC(=O)O ZINC000053151220 ED Annotated Anodyne CC(C)NCC1=C(F)C=C2C(=O)C(C(=O)O)=CN3[C@@H](C)CO[C@@H]1[C@@H]23 ZINC000053177224 ED Annotated Mild CC(C)NCC1=C(F)C=C2C(=O)C(C(=O)O)=CN3[C@@H](C)CO[C@H]1[C@@H]23 ZINC000053177225 ED Annotated Mild CC(C)NCC1=C(F)C=C2C(=O)C(C(=O)O)=CN3[C@@H](C)CO[C@@H]1[C@H]23 ZINC000053177226 ED Annotated Mild CC(C)NCC1=C(F)C=C2C(=O)C(C(=O)O)=CN3[C@@H](C)CO[C@H]1[C@H]23 ZINC000053177228 ED Annotated Mild CN1[C@@H]([C@@H]2SSC[C@@H]2O)CC[C@@H]1[C@@H]1SSC[C@@H]1O ZINC000053195654 ED Annotated Reactive in-vitro C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)/C=C\[C@@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000053229570 ED Annotated Mild in-vitro biogenic C=C1C(=O)O[C@@H]2/C=C(\C)C(=O)/C=C\[C@@](C)(O)C[C@@H](OC(=O)C(C)C)[C@H]12 ZINC000053229571 ED Annotated Mild in-vitro biogenic O=C(NO)N1CCN(C(=S)N/N=C/c2ccccc2Cl)CC1 ZINC000053229951 ED Annotated Mild N[C@]1(C(=O)O)C[C@H](C(=O)O)N(C(c2ccccc2)c2ccccc2)C1 ZINC000053243185 ED Annotated Anodyne Cc1ccc(S(=O)(=O)/C=C/S(=O)(=O)CC2=NCCO2)cc1 ZINC000053243516 ED Annotated Anodyne O=S(=O)(/C=C/S(=O)(=O)c1ccc(Cl)cc1)CC1=NCCO1 ZINC000053293790 ED Annotated Anodyne CCN(C)CC1(CN(C)CC)Oc2cc(OC)cc(OC)c2C1=O ZINC000053295643 ED Annotated Anodyne O=S(=O)(/C=C/S(=O)(=O)c1ccccc1)CC1=NCCS1 ZINC000053297307 ED Annotated Anodyne CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O ZINC000053299139 ED Annotated Anodyne O=C1c2ccccc2/C(=N/OCCN2CCOCC2)c2ccoc21 ZINC000053313856 ED Annotated Mild Cc1ccc(S(=O)(=O)/C=C/S(=O)(=O)CC2=NCCS2)cc1 ZINC000053314293 ED Annotated Anodyne C/C=C\OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O ZINC000535382723 ED Annotated Bother CC1=C2C(=O)C=C(COC(=O)C(=O)O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 ZINC000535384004 ED Annotated Mild CCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N ZINC000005501537 ED Annotated Mild CCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N ZINC000005501543 ED Annotated Mild CCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000005501546 ED Annotated Mild C=C1C(=O)O[C@H]2C/C(C=O)=C\[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C/C[C@H]12 ZINC000005537464 ED Annotated Reactive CC1(C)OC[C@H](COC(=O)NCn2cc(-c3ccccc3)nn2)O1 ZINC000005541537 ED Annotated Anodyne COC(=O)[C@]12CCC(=O)N1[C@H](C(=O)O)Cc1c2[nH]c2ccccc12 ZINC000005542021 ED Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000005543747 ED Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)c2c(O)n[nH]c2C[C@@]1(C)O ZINC000005543751 ED Annotated Anodyne CNC(=O)OCC1=C(COC(=O)NC)CN(c2ccc(OC)cc2)C1 ZINC000005549837 ED Annotated Clean CNC(=O)OCC1=C(COC(=O)NC)[C@@H](C)N(c2ccccc2)C1 ZINC000005550784 ED Annotated Anodyne CNC(=O)OCC1=C(COC(=O)NC)[C@H](C)N(c2ccccc2)C1 ZINC000005551449 ED Annotated Anodyne CCOC(=O)N1CCC(=NNC(=O)COc2ccc(C#N)cc2)CC1 ZINC000005560616 ED Annotated Reactive C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@H]32 ZINC000005566249 ED Annotated Mild O=C[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@H]3[C@H]1C(=O)C=CC2=O ZINC000005566785 ED Annotated Mild O=C[C@]12CC=C3O[C@H]4OC5(CCCCC5)O[C@@H]4[C@H]3[C@H]1C(=O)C=CC2=O ZINC000005566786 ED Annotated Mild O=C[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@H]4[C@H]3[C@H]1C(=O)C=CC2=O ZINC000005566789 ED Annotated Mild O=C[C@]12CC=C3O[C@H]4OC5(CCCCC5)O[C@H]4[C@H]3[C@H]1C(=O)C=CC2=O ZINC000005566790 ED Annotated Mild COC(=O)c1ccc(O)c2nc3c(C=O)c(O)c(C)c(O)c3nc12 ZINC000005567976 ED Annotated Bother O=C1C=C[C@@]23C[C@@H](NC4=C2C2=NCCc5c[nH]c(c52)C4=O)SC3=C1 ZINC000005572706 ED Annotated Mild O=C1C=C[C@]23C[C@H](NC4=C2C2=NCCc5c[nH]c(c52)C4=O)SC3=C1 ZINC000005572709 ED Annotated Mild Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccc(O)cc2)cc1 ZINC000005581037 ED Annotated Reactive Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccc(O)cc2)cc1 ZINC000005581050 ED Annotated Reactive CC1=NN(c2nc(N)nc(COc3ccc(N)cc3)n2)C(C)(C)C1 ZINC000005582348 ED Annotated Clean O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C[C@@]34C[C@@H](N2)SC4=CC1=O ZINC000005600522 ED Annotated Mild C=C1C[C@](Cn2ccc(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O ZINC000005600874 ED Annotated Mild C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C[C@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@@H]2O ZINC000005639638 ED Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1n[nH]c(CCc2ccccc2)n1 ZINC000005647053 ED Annotated Anodyne C/C1=C/[C@@H]2OC(=O)[C@]3(C)[C@@H]2[C@@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)C(C)C ZINC000005663253 ED Annotated Mild CC(=O)Nc1ccc(CO[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000005663642 ED Annotated Bother CC(=O)Nc1ccc(CO[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000005663645 ED Annotated Bother CC(=O)OC1=C[C@]2(OC(C)=O)CC(C)(C)[C@H]1[C@H]1C(=O)C=CC(=O)[C@@H]12 ZINC000005663874 ED Annotated Mild CC(=O)OC1=C[C@@]2(OC(C)=O)CC(C)(C)[C@@H]1[C@H]1C(=O)C=CC(=O)[C@@H]12 ZINC000005663877 ED Annotated Mild CC(=O)O[C@@H]1C=C[C@@H]2CCN3C(=O)c4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000005664445 ED Annotated Anodyne CC(=O)O[C@@H]1C=C[C@H]2CCN3C(=O)c4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000005664450 ED Annotated Anodyne CC(=O)O[C@@H]1[C@H](CCl)O[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005664576 ED Annotated Clean CO[C@@]12C[C@]3(CCC4=[N+](C)CCc5cc(O)c(c3c54)O1)CC[C@@H]2O ZINC000005698829 ED Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C=O)=C/[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C\C[C@@H]12 ZINC000005715362 ED Annotated Reactive COC(=O)[C@@H](C)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 ZINC000005729971 ED Annotated Anodyne CC(C)NC(=O)OCc1nnn2c1[C@@H](OC(=O)NC(C)C)CC2 ZINC000005732659 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O ZINC000005734582 ED Annotated Mild in-vitro biogenic C[C@H](O)[C@@H](O)[C@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1 ZINC000005734782 ED Annotated Mild COC[C@@H]1[C@H]2OC(C)(C)O[C@H]2C(=O)N1C(=O)c1ccc(OC)cc1 ZINC000005742032 ED Annotated Anodyne COC(=O)C1=C(C)N2CCO[C@]2(C)[C@H](C(=O)OC)[C@H]1c1ccc[nH]1 ZINC000005757483 ED Annotated Anodyne COC(=O)C1=C(C)N2CCO[C@]2(C)[C@@H](C(=O)OC)[C@@H]1c1ccc[nH]1 ZINC000005757512 ED Annotated Anodyne COC(=O)C1=C(C)N2CCO[C@]2(C)[C@H](C(=O)OC)[C@@H]1c1ccc[nH]1 ZINC000005757514 ED Annotated Anodyne C=C1C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)C(=C)[C@@H]2CC[C@@H]1[C@@H]3O ZINC000005765517 ED Annotated Mild N#CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000005767701 ED Annotated Mild CCC[C@H](C(=O)OC)[C@H]1N=C(NC#N)N(Cc2ccccc2)C1=O ZINC000005785409 ED Annotated Anodyne CCC[C@H](C(=O)OC)[C@@H]1N=C(NC#N)N(Cc2ccccc2)C1=O ZINC000005785414 ED Annotated Anodyne CCC[C@@H](C(=O)OC)[C@H]1N=C(NC#N)N(Cc2ccccc2)C1=O ZINC000005785625 ED Annotated Anodyne CCC[C@@H](C(=O)OC)[C@@H]1N=C(NC#N)N(Cc2ccccc2)C1=O ZINC000005785631 ED Annotated Anodyne O=C(NNc1cn[nH]c(=O)n1)c1cccc2nc3ccccc3nc12 ZINC000005801230 ED Annotated Reactive COC[C@H]1C(=O)c2cc3c(cc2C12C=CC1(C=C2)OCCO1)OCO3 ZINC000005811341 ED Annotated Anodyne CCOC(=O)/C(C(=O)c1ccccc1)=C1\N[C@H](C(=O)OCC)CS1 ZINC000005811556 ED Annotated Mild Cc1ccc(N2CN=c3s/c(=C/c4cccnc4)c(=O)n3C2)cc1 ZINC000005812555 ED Annotated Anodyne Cc1ccc(N2CN=c3s/c(=C/c4ccccn4)c(=O)n3C2)cc1 ZINC000005812560 ED Annotated Anodyne CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000005817418 ED Annotated Anodyne CC(C)OC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000005817427 ED Annotated Anodyne O=C1C[C@H](c2ccco2)C2(C(=O)NC(=O)NC2=O)[C@@H](c2ccco2)C1 ZINC000005822419 ED Annotated Anodyne O=C1C[C@@H](c2ccco2)C2(C(=O)NC(=O)NC2=O)[C@H](c2ccco2)C1 ZINC000005822420 ED Annotated Anodyne CCOC(=O)/C=C\[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]1COC(C)(C)O1 ZINC000005822614 ED Annotated Anodyne COC(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[C@@]1(C)CC(Cl)=NO1 ZINC000005823106 ED Annotated Anodyne COC(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[C@]1(C)CC(Cl)=NO1 ZINC000005823107 ED Annotated Anodyne COC(=O)[C@@H]1C=CN(N(C)C)C2=C1C(=O)c1c(O)cccc1C2=O ZINC000005823110 ED Annotated Mild C[C@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000005823889 ED Annotated Clean C[C@]1(Cl)C(=O)N=C(O)N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000005823892 ED Annotated Clean C=CC[C@@H]1C=C[C@@H](C(=O)OC)n2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000005837403 ED Annotated Mild CCOC(=O)C1=CN=C2C(=O)N(c3ccccc3)N(C)[C@]2(C)C1=N ZINC000005837755 ED Annotated Anodyne COc1ccc(NC(=O)C2=C(SC)[C@H](C#N)C(=O)N=C2N)cc1 ZINC000005838012 ED Annotated Mild O=C1[C@@H](Cl)[C@@H](c2ccccc2O)N1n1cnc2ccccc2c1=O ZINC000005838536 ED Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2O)N1n1cnc2ccccc2c1=O ZINC000005838538 ED Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cccc(O)c2)N1n1cnc2ccccc2c1=O ZINC000005838540 ED Annotated Reactive O=C1[C@H](Cl)[C@H](c2cccc(O)c2)N1n1cnc2ccccc2c1=O ZINC000005838545 ED Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1n1cnc2ccccc2c1=O ZINC000005838553 ED Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1n1cnc2ccccc2c1=O ZINC000005838559 ED Annotated Reactive C[C@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1[C@H](CO)OCc1ccccc1 ZINC000005840829 ED Annotated Anodyne COc1ccc(/C=C2\NC(=S)N(CN3CCOCC3)C2=O)cc1 ZINC000005841030 ED Annotated Anodyne CCN1c2ncc(CCC(N)=O)cc2C(=O)N(C)c2cccnc21 ZINC000005842223 ED Annotated Anodyne COc1ccc(/C=N\N2CC(=O)N3[C@H]4C=C[C@H](CC4)N3C2=O)cc1 ZINC000005845483 ED Annotated Mild CO[C@@H]1C=C[C@@]23c4cc5c(cc4C(=O)O[C@H]2CN(C)[C@H]3C1)OCO5 ZINC000005845664 ED Annotated Anodyne in-vitro CC(C)(C)n1c(=O)[nH]n([C@@H]2NN=Cc3cccc4cccc2c34)c1=O ZINC000005846852 ED Annotated Anodyne COc1cc(COC(=O)N2CC[C@@H]2C(=O)O)c([N+](=O)[O-])cc1OC ZINC000005848194 ED Annotated Bother CN(C)c1nc2c(Cl)cc(Cl)cc2n1COC(CO)CO ZINC000005849694 ED Annotated Anodyne CN(C)c1nc2c(Cl)c(Cl)ccc2n1COC(CO)CO ZINC000005849707 ED Annotated Anodyne CN(C)c1nc2cc(Cl)c(Cl)cc2n1COC(CO)CO ZINC000005849746 ED Annotated Anodyne S=C(N/N=C\C=N/NC(=S)N1CCCCC1)N1CCCCC1 ZINC000005850225 ED Annotated Mild COCCOCn1c(Br)c(C#N)c2c(N)ncnc21 ZINC000005853031 ED Annotated Mild C=CCN(c1cc(OC)c(NC(C)=O)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000005856518 ED Annotated Mild CO[C@@]1(O)c2cccc(Cl)c2C(=O)N1C1(C(N)=O)CCCCC1 ZINC000005883027 ED Annotated Anodyne CCc1cc([C@H](O)CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C ZINC000005887512 ED Annotated Anodyne CCc1cc([C@@H](O)CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C ZINC000005887542 ED Annotated Anodyne CN(C)c1cc(CNCCCS)nc(CNCCCS)c1 ZINC000005887879 ED Annotated Mild Cc1[nH]c(=O)c(NCc2nc3ccccc3o2)cc1S(C)(=O)=O ZINC000005891351 ED Annotated Anodyne C/C(=N/NS(=O)(=O)c1c(C)cc(C)cc1C)c1cccc[n+]1[O-] ZINC000005892501 ED Annotated Mild Cc1cn2c(/C=N/N=C(N)N)c(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000005892915 ED Annotated Mild CCOC(=O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 ZINC000005905519 ED Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 ZINC000005905584 ED Annotated Anodyne COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 ZINC000005910154 ED Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 ZINC000005910179 ED Annotated Anodyne CCCCN1CC[C@@](O)(c2cc(C(=O)O)[nH]c2-c2cc(C)no2)C1=O ZINC000005922196 ED Annotated Anodyne CCOC(=O)c1c[nH]c(C(=O)C=[N+]=[N-])c1[C@@H]1CCN(CC)C1=S ZINC000005922201 ED Annotated Clean CC(=O)O[C@H]1C#C/C=C\C#CC[C@@H]2C(=O)N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000005924105 ED Annotated Mild O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1SCCO ZINC000005937467 ED Annotated Bother NC(=O)[C@H]1CCCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000005937917 ED Annotated Anodyne NC(=O)[C@@H]1CCCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000005937918 ED Annotated Anodyne CC(C)OP(=O)(COCCn1ncc(N)nc1=O)OC(C)C ZINC000005963076 ED Annotated Anodyne CC(C)c1c(Sc2ccccc2)n(OCCCO)c(=O)[nH]c1=O ZINC000005963315 ED Annotated Anodyne NC(N)=N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2n1CCS2 ZINC000005974054 ED Annotated Mild NC(N)=N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2sccn12 ZINC000005974056 ED Annotated Mild Nn1c(S)nnc1CCCCCCCCc1nnc(S)n1N ZINC000005975468 ED Annotated Anodyne Cc1cc(C)n2nc(S[C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)nc2n1 ZINC000005978877 ED Annotated Anodyne Cc1cc(C)n2nc(S[C@@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)nc2n1 ZINC000005978890 ED Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2S(=O)(=O)N1CCCCc1ccncc1 ZINC000005989932 ED Annotated Anodyne COC1=C[C@@]23CCCN2C[C@H](O)c2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 ZINC000005997746 ED Annotated Anodyne CO[C@H]1[C@H](O)C[C@]23c4cc5c(cc4CCCN2CC[C@]32O[C@H]12)OCO5 ZINC000005998315 ED Annotated Anodyne CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)C3=CCCC3)C2)CC1 ZINC000055053553 ED Annotated Anodyne CCOC(=O)N1CCN([C@H]2CCCN(C(=O)C3=CCCC3)C2)CC1 ZINC000055053555 ED Annotated Anodyne C=CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000055108421 ED Annotated Mild C=CCNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000055108423 ED Annotated Mild C[C@H](NCc1cn(CCC(N)=O)c2ccccc12)c1nncn1C ZINC000055271268 ED Annotated Anodyne C[C@@H](NCc1cn(CCC(N)=O)c2ccccc12)c1nncn1C ZINC000055271271 ED Annotated Anodyne CN1CCN(Cc2ccccc2C(F)(F)F)[C@H](C2=NCCN2)C1 ZINC000055906561 ED Annotated Anodyne Cc1nccn1-c1cc(CNS(=O)(=O)N2CCC[C@H](C)C2)ccn1 ZINC000056065800 ED Annotated Anodyne Cc1nccn1-c1cc(CNS(=O)(=O)N2CCC[C@@H](C)C2)ccn1 ZINC000056065801 ED Annotated Anodyne C/C=C/OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(C)=O ZINC000056870834 ED Annotated Bother in-vitro C=C1[C@H](O)[C@@]23CC[C@@H]1C=C2[C@@H](C(=O)O)[C@@H]1[C@]2(C)C(=O)O[C@@]13CC[C@@H]2O ZINC000056871292 ED Annotated Mild in-vitro O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2COC[C@H]1Cc1[nH]ncc12 ZINC000058482461 ED Annotated Anodyne CN1C(=O)/C(=C/c2ccc(=O)n(Cc3ccccc3)c2)NC1=S ZINC000584904645 ED Annotated Anodyne C=C(CCC(=O)O)/N=C/c1c(COP(=O)(O)O)cnc(C)c1O ZINC000584904782 ED Annotated Mild Cc1ncc(COP(=O)(O)O)c(CCC(=O)CCC(=O)O)c1O ZINC000584904854 ED Annotated Anodyne CCN(C(=O)c1cnc(C)nc1NCc1ccco1)[C@H]1CCCNC1 ZINC000584905006 ED Annotated Anodyne CC(C)[C@@H]1C(=O)n2ncc(C#N)c2N=C1c1cnn(CCN(C)C)c1 ZINC000584905043 ED Annotated Mild CC(C)[C@H]1C(=O)n2ncc(C#N)c2N=C1c1cnn(CCN(C)C)c1 ZINC000584905046 ED Annotated Mild CCOC(=O)CNC(=O)NCc1cccc(-c2ccncc2N)c1 ZINC000584905105 ED Annotated Anodyne COc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN1CC(O)C1 ZINC000584905339 ED Annotated Anodyne COc1ccccc1C/N=C(/N)c1nn(-c2cccc(C)c2)nc1N ZINC000584905451 ED Annotated Mild CCNC(=O)CN(C(=O)c1ccc(O)cc1O)c1ccc(OC)cc1 ZINC000584905476 ED Annotated Anodyne N=c1[nH]c2nc(=N)c(-c3cccc(Br)c3)nc-2c(N)[nH]1 ZINC000584905520 ED Annotated Anodyne CCC1=NC(=N)NC(=N)C1=c1ccc2c(c1)N(CCCOC)C=CC=2 ZINC000584905588 ED Annotated Anodyne COc1ccc(C)cc1NC(=O)Nc1ccc2c(c1)[B-](O)(O)OC2 ZINC000584905649 ED Annotated Reactive C[C@H]1CO[C@@H]2C(Cn3ccnc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000058509480 ED Annotated Mild [N-]=[N+]=NC[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@H]1O ZINC000058525355 ED Annotated Anodyne CN1CCC(=O)[C@@]2(CCN(C)[C@@]23C(=O)Nc2ccc(Cl)cc23)C1 ZINC000058534228 ED Annotated Anodyne CCCN(CCC)c1ccc(S(=O)(=O)N([N+](=O)[O-])[N+](=O)[O-])cc1 ZINC000058576607 ED Annotated Anodyne NC1=N[C@H](COc2ccc3c(c2)CCNC3)COc2ccsc21 ZINC000058582985 ED Annotated Anodyne O=C(O)CCN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1 ZINC000058583880 ED Annotated Anodyne CCCCCCCCS(=O)(=O)N[C@@H]1CCC[C@H](C(=O)O)[C@H]1O ZINC000058590521 ED Annotated Mild CCCCCCCCS(=O)(=O)N[C@H]1CCC[C@H](C(=O)O)[C@@H]1O ZINC000058590525 ED Annotated Mild CCCCCCCCS(=O)(=O)N[C@H]1CCC[C@H](C(=O)O)[C@H]1O ZINC000058590976 ED Annotated Mild N[C@@H](CC1=C/C(=N\[C@H]2C[C@@H]2c2ccccc2)C(O)=CC1=O)C(=O)O ZINC000058638365 ED Annotated Mild CCCCSC[C@@H]1CN(Cc2c[nH]c3c2N=CN[C@@H]3N)C[C@H]1O ZINC000058648836 ED Annotated Anodyne CC(C)(C)c1ccc(C(=O)C[C@H]2CC[C@@H](O)[C@@H]3[C@H](O)[C@H](O)CN23)cc1 ZINC000058660318 ED Annotated Anodyne COc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000058669086 ED Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]3C=C([C@@](O)(c4ccccc4)c4ccccn4)[C@@H](C3)[C@H]12 ZINC000058692465 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c12 ZINC000586878758 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c12 ZINC000586878766 ED Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586881609 ED Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586882071 ED Annotated Anodyne Cc1c(Br)cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2c1C ZINC000586885776 ED Annotated Anodyne Cc1c(Br)cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2c1C ZINC000586885789 ED Annotated Anodyne Cc1c(Br)cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2c1C ZINC000586885790 ED Annotated Anodyne Cc1c(Br)cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2c1C ZINC000586885792 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586886214 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586886218 ED Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586886546 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586886555 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586886597 ED Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586886598 ED Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586886784 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586886787 ED Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586887093 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586887094 ED Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@@H](O)CC(=O)O)[nH]c3c2)cc1N ZINC000586887313 ED Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@H](O)CC(=O)O)[nH]c3c2)cc1N ZINC000586887319 ED Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586887342 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586887359 ED Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586887525 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586887527 ED Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586887619 ED Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586887620 ED Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586887621 ED Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586887622 ED Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586887659 ED Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586887663 ED Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586887664 ED Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586887665 ED Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cccc(I)c2[nH]1 ZINC000586887812 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cccc(I)c2[nH]1 ZINC000586887814 ED Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586887837 ED Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586887842 ED Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586887843 ED Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586887844 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586888706 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586888708 ED Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H](O)[C@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586888913 ED Annotated Clean Nc1ccc(Oc2ccc3nc([C@H](O)[C@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586888927 ED Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586888928 ED Annotated Clean Nc1ccc(Oc2ccc3nc([C@H](O)[C@@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586888929 ED Annotated Clean OC[C@@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586889295 ED Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586889303 ED Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586889304 ED Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586889306 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586889373 ED Annotated Bother O=C(O)C[C@@H](O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586889375 ED Annotated Bother CC(C)Oc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586890063 ED Annotated Anodyne CC(C)Oc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586890070 ED Annotated Anodyne CC(C)Oc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586890071 ED Annotated Anodyne CC(C)Oc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586890072 ED Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586891319 ED Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586891320 ED Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586891321 ED Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586891322 ED Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586892319 ED Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586892331 ED Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586892332 ED Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586892333 ED Annotated Anodyne CCCOc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586892410 ED Annotated Anodyne CCCOc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586892422 ED Annotated Anodyne CCCOc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586892425 ED Annotated Anodyne CCCOc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586892427 ED Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(I)cc2[nH]1 ZINC000586892757 ED Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2ccc(I)cc2[nH]1 ZINC000586892758 ED Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586893007 ED Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586893009 ED Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586893011 ED Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586893013 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](O)c3cccc(O)c3)[nH]c12 ZINC000586893862 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](O)c3cccc(O)c3)[nH]c12 ZINC000586893863 ED Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2c1 ZINC000586894009 ED Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2c1 ZINC000586894010 ED Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2c1 ZINC000586894011 ED Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2c1 ZINC000586894012 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(CO)c3)[nH]c12 ZINC000586895448 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(C3(c4ccccc4O)CC3)[nH]c12 ZINC000586897131 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 ZINC000586899513 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 ZINC000586899817 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586899844 ED Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586900726 ED Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586902039 ED Annotated Anodyne CC1=C(c2ccc3nc([C@H](O)C(C)(C)CO)[nH]c3c2)NNC(=O)C1 ZINC000586902145 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586902677 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586902680 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586902682 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586902683 ED Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(O)nc(O)nc4[nH]3)oc12 ZINC000586902711 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586905096 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586905097 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586905098 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586905100 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c12 ZINC000586906043 ED Annotated Reactive O=C1OC(=O)c2cc(-c3nc4c(S)nc(S)nc4[nH]3)ccc21 ZINC000586906059 ED Annotated Reactive O=C1OC(=O)c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)ccc21 ZINC000586906599 ED Annotated Reactive O=C1COc2cc3[nH]c(-c4ccc5c(c4)C(=O)OC5=O)nc3cc2N1 ZINC000586906655 ED Annotated Reactive O=C(O)c1cc(Br)cc2nc(CC3OCCO3)[nH]c12 ZINC000586906808 ED Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CC3OCCO3)[nH]c2c1 ZINC000586907139 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1 ZINC000586907364 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1 ZINC000586907369 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586907617 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586907630 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC3OCCO3)[nH]c2c1 ZINC000586908112 ED Annotated Anodyne O=S(=O)(c1ccc2nc(CC3OCCO3)[nH]c2c1)C(F)(F)F ZINC000586908155 ED Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(C[C@@H]3COCCO3)nc-2[nH]1 ZINC000586908392 ED Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(C[C@H]3COCCO3)nc-2[nH]1 ZINC000586908393 ED Annotated Anodyne Ic1cnc2[nH]c(CC3OCCO3)nc2c1 ZINC000586908590 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 ZINC000586909158 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 ZINC000586909159 ED Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CC3OCCO3)nc-2[nH]1 ZINC000586909352 ED Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[C@@H]3COCCO3)[nH]c12 ZINC000586909693 ED Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[C@H]3COCCO3)[nH]c12 ZINC000586909695 ED Annotated Anodyne Ic1cnc2[nH]c(C[C@@H]3COCCO3)nc2c1 ZINC000586909853 ED Annotated Anodyne Ic1cnc2[nH]c(C[C@H]3COCCO3)nc2c1 ZINC000586909872 ED Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 ZINC000586911365 ED Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H]4COCCO4)[nH]c3c2)NNC(=O)C1 ZINC000586911460 ED Annotated Anodyne CC1=C(c2ccc3nc(C[C@H]4COCCO4)[nH]c3c2)NNC(=O)C1 ZINC000586911467 ED Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(C3(O)CCOCC3)nc-2[nH]1 ZINC000586912637 ED Annotated Anodyne Oc1ccc(C2(c3nc4c(O)nc(O)nc4[nH]3)CCOCC2)cc1 ZINC000586912917 ED Annotated Anodyne N#Cc1nc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2nc1C#N ZINC000586913137 ED Annotated Mild CC1=C(c2ccc3nc(C4(O)CCOCC4)[nH]c3c2)NNC(=O)C1 ZINC000586913285 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c12 ZINC000586913310 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c12 ZINC000586913311 ED Annotated Anodyne OC1(c2nc3cc(I)cnc3[nH]2)CCOCC1 ZINC000586913494 ED Annotated Anodyne O=S(=O)(c1ccc2nc(C3=COCC3)[nH]c2c1)N1CCOCC1 ZINC000586913893 ED Annotated Anodyne Nc1nc(O)c2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2n1 ZINC000586914292 ED Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000586915629 ED Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000586915631 ED Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000586915632 ED Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000586915634 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](O)C3CCOCC3)[nH]c12 ZINC000586916412 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](O)C3CCOCC3)[nH]c12 ZINC000586916414 ED Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000586916857 ED Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000586916860 ED Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000586916862 ED Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000586916865 ED Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc12 ZINC000586916991 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 ZINC000586917202 ED Annotated Anodyne CC1=C(c2ccc3nc([C@@H](O)C4CCOCC4)[nH]c3c2)NNC(=O)C1 ZINC000586917268 ED Annotated Anodyne CC1=C(c2ccc3nc([C@H](O)C4CCOCC4)[nH]c3c2)NNC(=O)C1 ZINC000586917272 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 ZINC000586918332 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 ZINC000586918333 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586919057 ED Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586919566 ED Annotated Bother N[C@@H](CP(=O)(O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586919842 ED Annotated Bother Nc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cn1 ZINC000586920012 ED Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cncc(OC)c3[nH]2)cc1 ZINC000586920020 ED Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(OC)ncc3[nH]2)cc1 ZINC000586920031 ED Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccnc(OC)c3[nH]2)cc1 ZINC000586920046 ED Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)cnc3[nH]2)cc1 ZINC000586920157 ED Annotated Bother COc1cncc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920182 ED Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccnc(O)c3[nH]2)cc1 ZINC000586920202 ED Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586920253 ED Annotated Anodyne Nc1ccnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000586920346 ED Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586920498 ED Annotated Bother COc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000586920505 ED Annotated Bother Nc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1N ZINC000586920553 ED Annotated Bother Nc1nccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920565 ED Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(OC)nc3[nH]2)cc1 ZINC000586920771 ED Annotated Anodyne COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cn1 ZINC000586920820 ED Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586920841 ED Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586920843 ED Annotated Bother COc1nccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920992 ED Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586921097 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccnc(Cl)c2[nH]1 ZINC000586921413 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586921440 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Cl)ccnc2[nH]1 ZINC000586921519 ED Annotated Anodyne Nc1ncnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 ZINC000586921587 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cncc(Cl)c2[nH]1 ZINC000586921685 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)cnc2[nH]1 ZINC000586921726 ED Annotated Anodyne O=S(=O)(CCc1nc2cnncc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921849 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)ncc2[nH]1 ZINC000586921898 ED Annotated Anodyne O=S(=O)(CCc1nc2ncc[nH]c-2n1)c1ccc2c(c1)CCC2 ZINC000586921953 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586922028 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586922034 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586922037 ED Annotated Anodyne N#Cc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1C(F)(F)F ZINC000586922092 ED Annotated Mild CCS(=O)(=O)c1cccc(Cc2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586922133 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586922269 ED Annotated Mild Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Cl)nc2[nH]1 ZINC000586922314 ED Annotated Anodyne O=S(=O)(CCc1nc2cncnc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922343 ED Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc12 ZINC000586922370 ED Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586922403 ED Annotated Anodyne O=S(=O)(CCc1nc2cnnc(O)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922466 ED Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586922472 ED Annotated Anodyne N=c1[nH]cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc-2[nH]1 ZINC000586922475 ED Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586922584 ED Annotated Mild Cn1nccc1CS(=O)(=O)Cc1nc2ccc3ncccc3c2[nH]1 ZINC000586922629 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586922654 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586922706 ED Annotated Anodyne Nc1nccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586922785 ED Annotated Anodyne O=S(=O)(CCc1nc2c(O)ncnc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922793 ED Annotated Anodyne COC(=O)c1cccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c12 ZINC000586922806 ED Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](N)CP(=O)(O)O)[nH]c12 ZINC000586922894 ED Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](N)CP(=O)(O)O)[nH]c3c2)cc1N ZINC000586922916 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586922927 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000586922931 ED Annotated Anodyne Cc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1Br ZINC000586922936 ED Annotated Anodyne Cc1cc2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2cc1[N+](=O)[O-] ZINC000586922946 ED Annotated Bother N[C@@H](CP(=O)(O)O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586922962 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000586922980 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586922991 ED Annotated Anodyne Nc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cn1 ZINC000586923130 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000586923264 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586923274 ED Annotated Mild Cn1nccc1CS(=O)(=O)Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586923283 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586923284 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586923300 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586923307 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586923318 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586923345 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586923349 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586923417 ED Annotated Anodyne CC(=O)c1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 ZINC000586923426 ED Annotated Anodyne Cc1nc2[nH]c([C@@H](N)CP(=O)(O)O)nc2cc1Br ZINC000586923450 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(C(=O)O)c2[nH]1 ZINC000586923524 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586923581 ED Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 ZINC000586923601 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586923611 ED Annotated Bother Cc1c(Br)cnc2[nH]c([C@@H](N)CP(=O)(O)O)nc12 ZINC000586923628 ED Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](N)CP(=O)(O)O)nc2c1 ZINC000586923633 ED Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](N)CP(=O)(O)O)nc2c1 ZINC000586923655 ED Annotated Mild N[C@@H](CP(=O)(O)O)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586923658 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586923671 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)CP(=O)(O)O)nc2c1 ZINC000586923673 ED Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](N)CP(=O)(O)O)[nH]c12 ZINC000586923684 ED Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586923700 ED Annotated Anodyne COc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1C ZINC000586923748 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586923757 ED Annotated Bother COc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1F ZINC000586923805 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000586923842 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cnc3ccccc3c2[nH]1 ZINC000586923850 ED Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586923863 ED Annotated Bother O=S(=O)(/C=C\c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 ZINC000586924021 ED Annotated Anodyne O=S(=O)(/C=C/c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 ZINC000586924022 ED Annotated Anodyne O=C1COc2cc3[nH]c(CS(=O)(=O)C4CCCC4)nc3cc2N1 ZINC000586924121 ED Annotated Anodyne N=c1[nH]c2nc(/C=C\S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000586924209 ED Annotated Anodyne N=c1[nH]c2nc(/C=C/S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000586924210 ED Annotated Anodyne O=S(=O)(Cc1nc2nc(Br)c[nH]c-2n1)C1CCCC1 ZINC000586924227 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 ZINC000586924304 ED Annotated Anodyne CC1=C(c2ccc3nc(/C=C/S(C)(=O)=O)[nH]c3c2)NNC(=O)C1 ZINC000586924579 ED Annotated Anodyne CC1=C(c2ccc3nc(/C=C\S(C)(=O)=O)[nH]c3c2)NNC(=O)C1 ZINC000586924580 ED Annotated Anodyne O=S(=O)(Cc1nc2c(S)nc(S)nc2[nH]1)C1CCCC1 ZINC000586924679 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 ZINC000586924750 ED Annotated Anodyne O=S(=O)(O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 ZINC000586925175 ED Annotated Anodyne N#Cc1nc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2nc1C#N ZINC000586925247 ED Annotated Mild N#Cc1nc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2nc1C#N ZINC000586925250 ED Annotated Mild CS(=O)(=O)/C=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586925352 ED Annotated Anodyne CS(=O)(=O)/C=C\c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586925353 ED Annotated Anodyne O=S(=O)(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C1CCCC1 ZINC000586925423 ED Annotated Anodyne NNC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925430 ED Annotated Reactive NNC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925432 ED Annotated Reactive CS(=O)(=O)/C=C\c1nc2cc(I)cnc2[nH]1 ZINC000586925800 ED Annotated Anodyne CS(=O)(=O)/C=C/c1nc2cc(I)cnc2[nH]1 ZINC000586925810 ED Annotated Anodyne CS(=O)(=O)/C=C\c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586925991 ED Annotated Anodyne CS(=O)(=O)/C=C/c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586925994 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc12 ZINC000586926954 ED Annotated Anodyne N=c1[nH]cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc-2[nH]1 ZINC000586927246 ED Annotated Unstable N=c1[nH]cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc-2[nH]1 ZINC000586927405 ED Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cncnc3[nH]2)cc1 ZINC000586927822 ED Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(N)ncnc3[nH]2)cc1 ZINC000586927913 ED Annotated Anodyne CCc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc1S(=O)(=O)Cl ZINC000586928113 ED Annotated Unstable Cc1cc(-c2nc3c(O)nc(N)nc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928156 ED Annotated Unstable Cc1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928261 ED Annotated Unstable CN(Cc1nc2cncc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928418 ED Annotated Anodyne COc1cccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 ZINC000586928436 ED Annotated Anodyne CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928442 ED Annotated Bother CN(Cc1nc2ccc(Cl)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928447 ED Annotated Anodyne CN(Cc1nc2cccc(C(=O)O)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928492 ED Annotated Anodyne CN(Cc1nc2ccnc(O)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928524 ED Annotated Mild CN(Cc1nc2cc(Cl)cnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928529 ED Annotated Anodyne CC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 ZINC000586928538 ED Annotated Anodyne CN(Cc1nc2cnc(Cl)[nH]c-2n1)S(=O)(=O)c1cccnc1 ZINC000586928559 ED Annotated Anodyne CN(Cc1nc2cnccc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928565 ED Annotated Mild Cc1nccc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc12 ZINC000586928582 ED Annotated Mild CN(Cc1nc2c(N)ccnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928677 ED Annotated Mild CN(Cc1nc2c(Cl)ccnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928715 ED Annotated Anodyne Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2n1 ZINC000586928725 ED Annotated Mild CN(Cc1nc2ccc(C(=O)O)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928733 ED Annotated Anodyne CN(Cc1nc2cc(N)ncc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928812 ED Annotated Mild CN(Cc1nc2cccc(O)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928819 ED Annotated Mild CN(Cc1nc2ccnc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928844 ED Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCO3)S(=O)(=O)c1cccnc1 ZINC000586928859 ED Annotated Anodyne CN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928867 ED Annotated Bother CN(Cc1nc2cccc(C#N)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928873 ED Annotated Mild CN(Cc1nc2c(Cl)ncnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928911 ED Annotated Anodyne Cc1ccnc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc12 ZINC000586928933 ED Annotated Mild CN(Cc1nc2cncnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928969 ED Annotated Anodyne CN(Cc1nc2ccc(CCO)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928985 ED Annotated Anodyne CN(Cc1nc2ccc(C#N)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929052 ED Annotated Mild CN(Cc1nc2cc3cn[nH]c3cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929062 ED Annotated Anodyne N#Cc1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 ZINC000586929085 ED Annotated Mild CN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929115 ED Annotated Bother NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c1 ZINC000586929132 ED Annotated Anodyne Cc1cc2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2c(C)n1 ZINC000586929203 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cccc3[nH]2)c1 ZINC000586929208 ED Annotated Anodyne COc1cncc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 ZINC000586929209 ED Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc12 ZINC000586929272 ED Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cncc3[nH]2)c1 ZINC000586929317 ED Annotated Anodyne CN(Cc1nc2ccnc(N)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929320 ED Annotated Mild NS(=O)(=O)Cc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000586929322 ED Annotated Bother Cc1cnc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586929334 ED Annotated Mild CN(Cc1nc2cc(F)cnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929372 ED Annotated Mild NS(=O)(=O)c1ccc(CCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586929386 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1 ZINC000586929395 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C#N)cc2[nH]1 ZINC000586929457 ED Annotated Mild CN(Cc1nc2ccc(CO)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929470 ED Annotated Anodyne COc1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2n1 ZINC000586929481 ED Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cn1 ZINC000586929535 ED Annotated Anodyne COc1nccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 ZINC000586929542 ED Annotated Anodyne CN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929565 ED Annotated Bother CN(Cc1nc2ncc[nH]c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929579 ED Annotated Anodyne CN(Cc1nc2nc(Cl)c[nH]c-2n1)S(=O)(=O)c1cccnc1 ZINC000586929593 ED Annotated Anodyne CN(Cc1nc2cccnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929622 ED Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1 ZINC000586929623 ED Annotated Bother CN(Cc1nc2cnncc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929637 ED Annotated Mild CN(Cc1nc2cc(Cl)ncc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929647 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c1 ZINC000586929684 ED Annotated Bother Cc1cncc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586929694 ED Annotated Mild CN(Cc1nc2cncnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929740 ED Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3nccc(Br)c3[nH]2)c1 ZINC000586929758 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c1 ZINC000586929762 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)ccc3[nH]2)c1 ZINC000586929769 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000586929785 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000586929797 ED Annotated Anodyne COc1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2n1 ZINC000586929826 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586929828 ED Annotated Bother Cc1nc2[nH]c(CCS(=O)(=O)N(C)C)nc2cc1Br ZINC000586929879 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(N)ncnc3[nH]2)c1 ZINC000586929895 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cncc(Br)c2[nH]1 ZINC000586929945 ED Annotated Anodyne COc1nccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c12 ZINC000586929965 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Br)cc3[nH]2)c1 ZINC000586930039 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3nc(Br)ccc3[nH]2)c1 ZINC000586930049 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1 ZINC000586930058 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c1 ZINC000586930061 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1 ZINC000586930077 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccnc(O)c2[nH]1 ZINC000586930120 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(CO)cc2[nH]1 ZINC000586930121 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(C)ccnc2[nH]1 ZINC000586930151 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(O)cc2[nH]1 ZINC000586930201 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)o1 ZINC000586930218 ED Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCS(=O)(=O)N(C)C)nc12 ZINC000586930253 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)o1 ZINC000586930270 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(N)ccnc2[nH]1 ZINC000586930319 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)nccc3[nH]2)c1 ZINC000586930382 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)o1 ZINC000586930386 ED Annotated Bother COc1cncc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c12 ZINC000586930499 ED Annotated Anodyne COc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cn1 ZINC000586930519 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCS(=O)(=O)N(C)C)nc2c1 ZINC000586930522 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccnc(Br)c2[nH]1 ZINC000586930549 ED Annotated Anodyne Cc1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2n1 ZINC000586930562 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(C#N)c2[nH]1 ZINC000586930575 ED Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)cnc2[nH]1 ZINC000586930581 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cncc(C)c2[nH]1 ZINC000586930589 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(N)c(N)cc2[nH]1 ZINC000586930614 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586930647 ED Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(C)nccc2[nH]1 ZINC000586930656 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000586930662 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000586930680 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(O)ncnc3[nH]2)c1 ZINC000586930698 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(Br)nc2[nH]1 ZINC000586930700 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1 ZINC000586930736 ED Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586930740 ED Annotated Bother COc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Cl ZINC000586930749 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c1 ZINC000586930753 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cnc(Br)cc3[nH]2)c1 ZINC000586930757 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)o1 ZINC000586930793 ED Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)c1 ZINC000586930802 ED Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(O)c2[nH]1 ZINC000586930866 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)o1 ZINC000586930888 ED Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586930994 ED Annotated Bother Cc1cnc2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1 ZINC000586931034 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)cnc2[nH]1 ZINC000586931057 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)ncc2[nH]1 ZINC000586931072 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586931075 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cccc(Br)c2[nH]1 ZINC000586931084 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)o1 ZINC000586931094 ED Annotated Mild CN(C)S(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)o1 ZINC000586931101 ED Annotated Bother CN(C)S(=O)(=O)CCc1nc2ccc(Br)cc2[nH]1 ZINC000586931115 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 ZINC000586931129 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2c(Br)ccnc2[nH]1 ZINC000586931213 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(CCO)ccc3[nH]2)o1 ZINC000586931261 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)o1 ZINC000586931302 ED Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3cnncc3[nH]2)cc1 ZINC000586931313 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccnc(N)c3[nH]2)cc1 ZINC000586931358 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)o1 ZINC000586931370 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)o1 ZINC000586931438 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cnccc3[nH]2)cc1 ZINC000586931467 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586931485 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3ncnc(Cl)c3[nH]2)o1 ZINC000586931515 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)o1 ZINC000586931516 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)o1 ZINC000586931517 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(N)ncc3[nH]2)cc1 ZINC000586931624 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ncc[nH]c-3n2)cc1 ZINC000586931634 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586931815 ED Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000586931899 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586931935 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cncnc3[nH]2)cc1 ZINC000586931962 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccnc(O)c3[nH]2)cc1 ZINC000586932029 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cccnc3[nH]2)cc1 ZINC000586932047 ED Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(O)nc(O)nc2[nH]1)C(C)C ZINC000586932115 ED Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(O)nc(O)nc2[nH]1)C(C)C ZINC000586932116 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586932231 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(N)ccnc3[nH]2)cc1 ZINC000586932265 ED Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586932268 ED Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(O)ncnc2[nH]1)C(C)C ZINC000586932578 ED Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(O)ncnc2[nH]1)C(C)C ZINC000586932580 ED Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(N)ccnc2[nH]1)C(C)C ZINC000586932616 ED Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(N)ccnc2[nH]1)C(C)C ZINC000586932619 ED Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(N)ncc2[nH]1)C(C)C ZINC000586932628 ED Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(N)ncc2[nH]1)C(C)C ZINC000586932629 ED Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccnc(N)c2[nH]1)C(C)C ZINC000586932914 ED Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccnc(N)c2[nH]1)C(C)C ZINC000586932915 ED Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(N)ncnc2[nH]1)C(C)C ZINC000586933688 ED Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(N)ncnc2[nH]1)C(C)C ZINC000586933689 ED Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c[nH]c(=N)[nH]c-2n1)C(C)C ZINC000586933812 ED Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)C(C)C ZINC000586933815 ED Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cnnc(O)c2[nH]1)C(C)C ZINC000586933951 ED Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cnnc(O)c2[nH]1)C(C)C ZINC000586933952 ED Annotated Anodyne COc1cncc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 ZINC000586935043 ED Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(CCO)ccc3[nH]2)c1 ZINC000586935241 ED Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(F)c3[nH]2)c1 ZINC000586935992 ED Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(N)c(N)cc3[nH]2)c1 ZINC000586936167 ED Annotated Anodyne Cc1cccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586936208 ED Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncnc(Cl)c3[nH]2)c1 ZINC000586936211 ED Annotated Anodyne COc1nccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 ZINC000586936495 ED Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586936521 ED Annotated Anodyne COc1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2n1 ZINC000586936539 ED Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000586936589 ED Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(CO)ccc3[nH]2)c1 ZINC000586936627 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586936769 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586936779 ED Annotated Anodyne CCc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586936928 ED Annotated Anodyne CCc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586936929 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586936954 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586936960 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(Cl)c2[nH]1 ZINC000586937019 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(Cl)c2[nH]1 ZINC000586937026 ED Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Cl)ncc3[nH]2)c1 ZINC000586937175 ED Annotated Anodyne COc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cn1 ZINC000586937289 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586937375 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586937378 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586937413 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586937414 ED Annotated Anodyne COc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1C ZINC000586937474 ED Annotated Anodyne COc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1C ZINC000586937477 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586937909 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586937910 ED Annotated Anodyne COc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586938545 ED Annotated Anodyne COc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586938547 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586938580 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586938581 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586938624 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586938626 ED Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586938629 ED Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586938636 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586938893 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586938894 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586939009 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586939014 ED Annotated Anodyne Cc1c(F)ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586939409 ED Annotated Anodyne Cc1c(F)ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586939410 ED Annotated Anodyne Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1C ZINC000586939430 ED Annotated Anodyne Cc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1C ZINC000586939431 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586939455 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586939456 ED Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 ZINC000586939461 ED Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 ZINC000586939462 ED Annotated Anodyne COc1cccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586939630 ED Annotated Anodyne COc1cccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586939631 ED Annotated Anodyne Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1F ZINC000586939645 ED Annotated Anodyne Cc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1F ZINC000586939647 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C#N)cc2[nH]1 ZINC000586939675 ED Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C#N)cc2[nH]1 ZINC000586939676 ED Annotated Mild Cc1cc2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c(C)n1 ZINC000586939698 ED Annotated Anodyne Cc1cc2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c(C)n1 ZINC000586939699 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000586939701 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000586939702 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586939882 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586939883 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586939888 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586939889 ED Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586939898 ED Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586939899 ED Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(N)ncc3[nH]2)cc1 ZINC000586940010 ED Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(N)ncc3[nH]2)cc1 ZINC000586940014 ED Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nncc3[nH]2)cc1 ZINC000586940185 ED Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nncc3[nH]2)cc1 ZINC000586940186 ED Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586940205 ED Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586940206 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586940231 ED Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586940232 ED Annotated Anodyne CC(=O)c1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586940255 ED Annotated Anodyne CC(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586940256 ED Annotated Anodyne Cc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1C ZINC000586940288 ED Annotated Anodyne Cc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1C ZINC000586940290 ED Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C#N)c2[nH]1 ZINC000586940316 ED Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C#N)c2[nH]1 ZINC000586940318 ED Annotated Mild Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586940720 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586940721 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ncc[nH]c-3n2)cc1 ZINC000586940781 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ncc[nH]c-3n2)cc1 ZINC000586940782 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(O)ncnc3[nH]2)cc1 ZINC000586940947 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(O)ncnc3[nH]2)cc1 ZINC000586940948 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(N)ccnc3[nH]2)cc1 ZINC000586941163 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(N)ccnc3[nH]2)cc1 ZINC000586941164 ED Annotated Anodyne O=S(=O)(NCc1nc2cnccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941238 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccnc(N)c3[nH]2)cc1 ZINC000586941325 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccnc(N)c3[nH]2)cc1 ZINC000586941327 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cnnc(O)c3[nH]2)cc1 ZINC000586941335 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cnnc(O)c3[nH]2)cc1 ZINC000586941336 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cncnc3[nH]2)cc1 ZINC000586941469 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cncnc3[nH]2)cc1 ZINC000586941472 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(N)ncc3[nH]2)cc1 ZINC000586941485 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(N)ncc3[nH]2)cc1 ZINC000586941487 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000586941529 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586941549 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586941580 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586941602 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586941646 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cnncc3[nH]2)cc1 ZINC000586941959 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cnncc3[nH]2)cc1 ZINC000586941960 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586942027 ED Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(N)ncnc3[nH]2)cc1 ZINC000586942036 ED Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(N)ncnc3[nH]2)cc1 ZINC000586942040 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586942138 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586942171 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586942256 ED Annotated Mild CCS(=O)(=O)NCCCc1nc2cc(Br)cnc2[nH]1 ZINC000586942333 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(Br)ccnc2[nH]1 ZINC000586942424 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586942425 ED Annotated Bother CCS(=O)(=O)NCCCc1nc2cncc(Br)c2[nH]1 ZINC000586942429 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586942453 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccnc(Br)c2[nH]1 ZINC000586942483 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586942501 ED Annotated Anodyne O=S(=O)(NCCc1nc2cnccc2[nH]1)c1ccc(Cl)nc1 ZINC000586942504 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(Br)nc2[nH]1 ZINC000586942506 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586942512 ED Annotated Clean CNS(=O)(=O)NCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586942523 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586942533 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000586942534 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000586942650 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000586942657 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586942802 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586942840 ED Annotated Mild O=S(=O)(NCCc1nc2cccnc2[nH]1)c1ccc(Cl)nc1 ZINC000586942860 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586942914 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586942919 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586942922 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586942962 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)ncc2[nH]1 ZINC000586943076 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586943168 ED Annotated Bother CNS(=O)(=O)NCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586943193 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586943201 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586943248 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586943298 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586943302 ED Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586943308 ED Annotated Mild CNS(=O)(=O)NCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586943318 ED Annotated Bother CNS(=O)(=O)NCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586943350 ED Annotated Bother CCS(=O)(=O)NCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586943572 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000586943576 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586943760 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586943791 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000586943976 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000586943989 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000586944030 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000586944063 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000586944081 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586944507 ED Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586944724 ED Annotated Bother COc1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2n1 ZINC000586945234 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(CO)cc2[nH]1 ZINC000586945289 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586945312 ED Annotated Anodyne COc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cn1 ZINC000586945450 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586945513 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586945634 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000586945654 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cncc(C)c3[nH]2)cc1 ZINC000586945704 ED Annotated Anodyne COc1cncc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c12 ZINC000586945749 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586945982 ED Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586946144 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(C)ccnc3[nH]2)cc1 ZINC000586946265 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(C)nccc3[nH]2)cc1 ZINC000586946270 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccnc(OC)c3[nH]2)cc1 ZINC000586946322 ED Annotated Anodyne COc1nccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c12 ZINC000586946497 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccnc(N)c3[nH]2)cc1 ZINC000586946556 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(F)c(F)ccc3[nH]2)n(C)c1 ZINC000586946559 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(N)ccnc3[nH]2)cc1 ZINC000586946583 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)cncc3[nH]2)n(C)c1 ZINC000586946651 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)n(C)c1 ZINC000586946671 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(F)c(OC)cc3[nH]2)n(C)c1 ZINC000586946686 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncc(Cl)cc3[nH]2)n(C)c1 ZINC000586946706 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)n(C)c1 ZINC000586946729 ED Annotated Mild CNS(=O)(=O)c1ccc(CCc2nc3cc(C)cnc3[nH]2)cc1 ZINC000586946783 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(O)c3[nH]2)cc1 ZINC000586946807 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(F)c(F)c(F)cc3[nH]2)n(C)c1 ZINC000586946983 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)n(C)c1 ZINC000586946984 ED Annotated Bother CNS(=O)(=O)c1cc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)n(C)c1 ZINC000586947005 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)n(C)c1 ZINC000586947006 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(F)cc(F)cc3[nH]2)n(C)c1 ZINC000586947020 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)ncc3[nH]2)cc1 ZINC000586947031 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cnc(Cl)cc3[nH]2)n(C)c1 ZINC000586947038 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc4[nH]ncc4cc3[nH]2)n(C)c1 ZINC000586947092 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(N)ncc3[nH]2)cc1 ZINC000586947096 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccnc(O)c3[nH]2)cc1 ZINC000586947157 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)n(C)c1 ZINC000586947243 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(OC)nc3[nH]2)cc1 ZINC000586947328 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cncc(OC)c3[nH]2)cc1 ZINC000586947338 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(F)cnc3[nH]2)cc1 ZINC000586947355 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586947375 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)ncc(F)c3[nH]2)n(C)c1 ZINC000586947400 ED Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(C)nc3[nH]2)cc1 ZINC000586947414 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(F)c(F)cc3[nH]2)n(C)c1 ZINC000586947427 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)n(C)c1 ZINC000586947515 ED Annotated Bother CNS(=O)(=O)c1cc(-c2nc3nc(Cl)ccc3[nH]2)n(C)c1 ZINC000586947525 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)n(C)c1 ZINC000586947568 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(CCO)ccc3[nH]2)n(C)c1 ZINC000586947626 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)nccc3[nH]2)n(C)c1 ZINC000586947649 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nccc(Cl)c3[nH]2)n(C)c1 ZINC000586947654 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)ncc(C)c3[nH]2)n(C)c1 ZINC000586947656 ED Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(C)c(OC)cc3[nH]2)n(C)c1 ZINC000586947659 ED Annotated Anodyne COc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cn1 ZINC000586947686 ED Annotated Clean COc1cncc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 ZINC000586947748 ED Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000586948068 ED Annotated Clean COc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cn1 ZINC000586948172 ED Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586948484 ED Annotated Clean COc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2n1 ZINC000586948677 ED Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000586948696 ED Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586948887 ED Annotated Bother COc1cncc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586948920 ED Annotated Anodyne COc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2n1 ZINC000586948945 ED Annotated Anodyne COc1nccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 ZINC000586948967 ED Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586949075 ED Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000586949315 ED Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000586949323 ED Annotated Clean COc1nccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586949350 ED Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(N)c(N)cc2[nH]1 ZINC000586949909 ED Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000586950049 ED Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000586950083 ED Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(N)ncc3[nH]2)cc1 ZINC000586950218 ED Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000586950267 ED Annotated Bother CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586950427 ED Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(O)nncc3[nH]2)cc1 ZINC000586950512 ED Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000586950817 ED Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586950821 ED Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)cc1 ZINC000586950867 ED Annotated Mild Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(F)cnc2[nH]1 ZINC000586950898 ED Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3ncnc(N)c3[nH]2)cc1 ZINC000586951008 ED Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586951014 ED Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586951065 ED Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000586951449 ED Annotated Anodyne COc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cn1 ZINC000586951659 ED Annotated Anodyne COc1cncc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c12 ZINC000586951678 ED Annotated Anodyne COc1nccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c12 ZINC000586951695 ED Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccnc(O)c2[nH]1 ZINC000586951697 ED Annotated Anodyne COc1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2n1 ZINC000586951699 ED Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000586951725 ED Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586951789 ED Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(N)c(N)cc3[nH]2)CC1 ZINC000586951985 ED Annotated Anodyne COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cn1 ZINC000586952051 ED Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cnc(Cl)[nH]c-3n2)CC1 ZINC000586952096 ED Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(O)ncnc3[nH]2)CC1 ZINC000586952109 ED Annotated Anodyne COc1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2n1 ZINC000586952111 ED Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(CO)cc3[nH]2)CC1 ZINC000586952352 ED Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cnc(Cl)[nH]c-3n2)CC1 ZINC000586952355 ED Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cnnc(O)c3[nH]2)CC1 ZINC000586952587 ED Annotated Anodyne COc1cncc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 ZINC000586952589 ED Annotated Anodyne COc1nccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 ZINC000586952636 ED Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OC)ncc3[nH]2)CC1 ZINC000586952658 ED Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccnc(OC)c3[nH]2)CC1 ZINC000586952660 ED Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cncc(OC)c3[nH]2)CC1 ZINC000586952741 ED Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3nc(Cl)c[nH]c-3n2)CC1 ZINC000586953223 ED Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(N)c(N)cc3[nH]2)CC1 ZINC000586953658 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(F)c(F)cc3[nH]2)CC1 ZINC000586954111 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Cl)cnc3[nH]2)CC1 ZINC000586954157 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(F)cc(F)c3[nH]2)CC1 ZINC000586954225 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C)c(F)cc3[nH]2)CC1 ZINC000586954237 ED Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cnccc4[nH]3)c2N)C1 ZINC000586954400 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000586954410 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000586954468 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cncc(Cl)c3[nH]2)CC1 ZINC000586954501 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C)cc(F)c3[nH]2)CC1 ZINC000586954506 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccnc(Cl)c3[nH]2)CC1 ZINC000586954822 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC000586954834 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc(Cl)c3[nH]2)CC1 ZINC000586954999 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(SC)cc3[nH]2)CC1 ZINC000586955002 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1 ZINC000586955006 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(Cl)ccnc3[nH]2)CC1 ZINC000586955033 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Cl)ncc3[nH]2)CC1 ZINC000586955069 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(F)c3[nH]2)CC1 ZINC000586955135 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(F)c(C)c3[nH]2)CC1 ZINC000586955390 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(F)c(F)c3[nH]2)CC1 ZINC000586955435 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000586955472 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(C)cnc(Cl)c3[nH]2)CC1 ZINC000586955488 ED Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(OC)nc3[nH]2)CC1 ZINC000586955515 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586955545 ED Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccnc4[nH]3)c2N)C1 ZINC000586955730 ED Annotated Anodyne C=CCc1cccc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c12 ZINC000586955747 ED Annotated Mild CNS(=O)(=O)N1CCC(c2nc3cc4cn[nH]c4cc3[nH]2)CC1 ZINC000586955836 ED Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000586955842 ED Annotated Bother CNS(=O)(=O)N1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1 ZINC000586956201 ED Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000586957536 ED Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000586957537 ED Annotated Anodyne COc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2n1 ZINC000586957545 ED Annotated Anodyne COc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2n1 ZINC000586957546 ED Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000586957559 ED Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000586957560 ED Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000586957837 ED Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000586957838 ED Annotated Anodyne CC1=C(c2ccc3nc(C[S@@](=O)CC4CC4)[nH]c3c2)NNC(=O)C1 ZINC000586957926 ED Annotated Anodyne CC1=C(c2ccc3nc(C[S@](=O)CC4CC4)[nH]c3c2)NNC(=O)C1 ZINC000586957927 ED Annotated Anodyne COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cn1 ZINC000586958288 ED Annotated Anodyne COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cn1 ZINC000586958290 ED Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586958341 ED Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586958346 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[S@@](=O)CC3CC3)[nH]c12 ZINC000586958447 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[S@](=O)CC3CC3)[nH]c12 ZINC000586958453 ED Annotated Anodyne Cc1cnc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586958558 ED Annotated Anodyne Cc1cnc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586958560 ED Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000586958568 ED Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000586958575 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 ZINC000586958942 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 ZINC000586958943 ED Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586958971 ED Annotated Anodyne Cc1cncc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586959030 ED Annotated Anodyne Cc1cncc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586959031 ED Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(O)c2[nH]1 ZINC000586959034 ED Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(O)c2[nH]1 ZINC000586959035 ED Annotated Anodyne Cc1nccc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586959111 ED Annotated Anodyne Cc1nccc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586959113 ED Annotated Anodyne COc1nccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586959135 ED Annotated Anodyne COc1nccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586959138 ED Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000586959144 ED Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000586959147 ED Annotated Mild CC(C)(SCc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)O ZINC000586959391 ED Annotated Anodyne COc1cncc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586959540 ED Annotated Anodyne COc1cncc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586959541 ED Annotated Anodyne CC(C)(SCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(=O)O ZINC000586959973 ED Annotated Anodyne Cc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2n1 ZINC000586960213 ED Annotated Anodyne Cc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2n1 ZINC000586960215 ED Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586960275 ED Annotated Bother C[C@H](Sc1nc(N)cc(O)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586960280 ED Annotated Bother CC(C)(SCC(=O)O)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586960512 ED Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000586960525 ED Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000586960526 ED Annotated Mild Cc1ccnc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586960552 ED Annotated Anodyne Cc1ccnc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586960555 ED Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586961236 ED Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586961240 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc12 ZINC000586961264 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc12 ZINC000586961266 ED Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586961414 ED Annotated Mild C[C@H](Sc1nc(N)cc(O)n1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586961418 ED Annotated Mild C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586961456 ED Annotated Reactive C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586961464 ED Annotated Reactive COC(=O)c1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cn1 ZINC000586961672 ED Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cn1 ZINC000586961673 ED Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586961804 ED Annotated Bother C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586961805 ED Annotated Bother C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586962130 ED Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586962133 ED Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586962176 ED Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586962180 ED Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2n1 ZINC000586962974 ED Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2n1 ZINC000586962976 ED Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586963251 ED Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586963253 ED Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586964078 ED Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586964079 ED Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586964237 ED Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586964238 ED Annotated Anodyne O=C1CCc2cc3nc(CSc4nc(O)cc(O)n4)[nH]c3cc2N1 ZINC000586966224 ED Annotated Anodyne CCc1cc(O)nc(SCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)n1 ZINC000586966269 ED Annotated Anodyne Oc1cc(O)nc(SCc2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000586966389 ED Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2n1 ZINC000586966461 ED Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 ZINC000586966463 ED Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966486 ED Annotated Anodyne N[C@H](N=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966528 ED Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966530 ED Annotated Anodyne COC(=O)c1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cn1 ZINC000586966581 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3nc(O)cc(O)n3)nc12 ZINC000586966697 ED Annotated Anodyne Nc1ncnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586966710 ED Annotated Anodyne CCc1cc(O)nc(SCc2nc3nc(C#N)c(C#N)nc3[nH]2)n1 ZINC000586966728 ED Annotated Mild Oc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000586966761 ED Annotated Anodyne O=C(O)c1cc(F)cc2nc(CSc3nc(O)cc(O)n3)[nH]c12 ZINC000586966794 ED Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)n1 ZINC000586966801 ED Annotated Anodyne O=C(O)c1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1F ZINC000586966847 ED Annotated Anodyne Oc1nc(O)c2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1 ZINC000586966939 ED Annotated Anodyne Nc1nc(O)c2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1 ZINC000586966979 ED Annotated Anodyne CCc1cc(O)nc(SCc2nc3c(O)nc(S)nc3[nH]2)n1 ZINC000586967060 ED Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(C(=O)NN)cc3[nH]2)n1 ZINC000586967065 ED Annotated Reactive N#Cc1nc(Cl)cc2nc(CSc3nc(O)cc(O)n3)[nH]c12 ZINC000586967135 ED Annotated Mild COC(=O)c1cccc2nc(CSc3nc(O)cc(O)n3)[nH]c12 ZINC000586967244 ED Annotated Anodyne N=c1[nH]cc2nc(CSc3nc(-c4cccnc4)no3)nc-2[nH]1 ZINC000586967250 ED Annotated Anodyne O=C1COc2cc3[nH]c(CSc4nc(O)cc(O)n4)nc3cc2N1 ZINC000586967251 ED Annotated Anodyne CN(C)C(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586967266 ED Annotated Anodyne Oc1nncc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967286 ED Annotated Anodyne Oc1cc(O)nc(SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 ZINC000586967287 ED Annotated Anodyne N=c1[nH]c2nc(CSc3ncccc3C(=O)O)nc-2c(Cl)[nH]1 ZINC000586967299 ED Annotated Anodyne N=c1[nH]c2nc(-c3cccnc3SCC(=O)O)nc-2c(Cl)[nH]1 ZINC000586967354 ED Annotated Anodyne Oc1ncnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586967468 ED Annotated Anodyne N#Cc1nc2nc(-c3cccnc3SCC(=O)O)[nH]c2nc1C#N ZINC000586967801 ED Annotated Mild O=C(O)c1cccnc1SCc1nc2c(O)nc(S)nc2[nH]1 ZINC000586968193 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586968273 ED Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586968304 ED Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2n1 ZINC000586968505 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSc3cccc[n+]3[O-])[nH]c12 ZINC000586968652 ED Annotated Anodyne N#Cc1nc2nc(CSc3ncccc3C(=O)O)[nH]c2nc1C#N ZINC000586969169 ED Annotated Mild NNC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586969374 ED Annotated Reactive [O-][n+]1ccccc1SCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586969689 ED Annotated Anodyne O=C1COc2cc3[nH]c(CSc4cccc[n+]4[O-])nc3cc2N1 ZINC000586969707 ED Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cn1 ZINC000586969711 ED Annotated Anodyne O=S(=O)(O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586969859 ED Annotated Anodyne [O-][n+]1ccccc1SCc1nc2nc(Br)c[nH]c-2n1 ZINC000586970092 ED Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586971788 ED Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586971791 ED Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586971907 ED Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586971908 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972371 ED Annotated Reactive NS(=O)(=O)c1cccc2nc(CCCCBr)[nH]c12 ZINC000586972553 ED Annotated Reactive Cc1nn(Cc2nc3c(O)nc(N)nc3[nH]2)c(C)c1Br ZINC000586978661 ED Annotated Anodyne Nc1nc(O)c2nc(-c3ccnc(Cl)c3Br)[nH]c2n1 ZINC000586978892 ED Annotated Anodyne Cc1nn(Cc2nc3c(O)nc(O)nc3[nH]2)c(C)c1Br ZINC000586979033 ED Annotated Anodyne Cc1ncc(-c2nc3c(O)nc(N)nc3[nH]2)c(C)c1Br ZINC000586979252 ED Annotated Anodyne CCOc1n[nH]c(-c2nc3c(O)ncnc3[nH]2)c1Br ZINC000586979483 ED Annotated Anodyne CCOc1n[nH]c(-c2nc3c(O)nc(O)nc3[nH]2)c1Br ZINC000586980202 ED Annotated Anodyne CCOc1n[nH]c(-c2nc3cnnc(O)c3[nH]2)c1Br ZINC000586980322 ED Annotated Anodyne CCOc1n[nH]c(-c2nc3c(O)nc(N)nc3[nH]2)c1Br ZINC000586980431 ED Annotated Anodyne Nc1nc(O)c2nc(-c3cc(Br)cc(C=O)c3)[nH]c2n1 ZINC000586982261 ED Annotated Anodyne Nc1nc(O)c2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2n1 ZINC000586983813 ED Annotated Anodyne Nc1nc(O)c2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2n1 ZINC000586983815 ED Annotated Anodyne N=c1[nH]cc2nc([C@H](N)Cc3cccc(Br)c3)nc-2[nH]1 ZINC000586985045 ED Annotated Anodyne N=c1[nH]cc2nc([C@@H](N)Cc3cccc(Br)c3)nc-2[nH]1 ZINC000586985046 ED Annotated Anodyne NC(=O)[C@@H](N)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988088 ED Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1C[C@H](N)C(N)=O)-c1ccccc1C3=O ZINC000586988098 ED Annotated Anodyne N=c1nn[nH]n1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988855 ED Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](O)[C@H](O)CO)nc3ccc(O)c1c23 ZINC000586991060 ED Annotated Anodyne Nc1nc(O)c2nc(CCNc3ccc(Br)cc3)[nH]c2n1 ZINC000586994757 ED Annotated Anodyne Oc1nc(O)c2nc([C@H](O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586996318 ED Annotated Anodyne N=c1[nH]cc2nc(C[C@@H](N)c3ccc(Br)cc3)nc-2[nH]1 ZINC000586996759 ED Annotated Anodyne Nc1nc(O)c2nc([C@H](O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586997164 ED Annotated Anodyne Nc1ncnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12 ZINC000586997813 ED Annotated Anodyne Nc1nc(O)c2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2n1 ZINC000586997819 ED Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(O)nc(N)nc3[nH]2)n1 ZINC000587000312 ED Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(O)nc(O)nc3[nH]2)n1 ZINC000587001531 ED Annotated Anodyne Nc1nc(O)c2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 ZINC000587003404 ED Annotated Anodyne Nc1nc(O)c2nc(-c3nc(Br)ccc3Cl)[nH]c2n1 ZINC000587005149 ED Annotated Anodyne Oc1nc(O)c2nc(-c3nc(Cl)cnc3Br)[nH]c2n1 ZINC000587005167 ED Annotated Anodyne Nc1ncnc2[nH]c(-c3nc(Cl)cnc3Br)nc12 ZINC000587005200 ED Annotated Anodyne Oc1ncnc2[nH]c(-c3nc(Cl)cnc3Br)nc12 ZINC000587005209 ED Annotated Anodyne Nc1nc(O)c2nc(-c3nc(Cl)cnc3Br)[nH]c2n1 ZINC000587005486 ED Annotated Anodyne Oc1nncc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005595 ED Annotated Anodyne N=c1[nH]cc2nc(-c3nc(Cl)cnc3Br)nc-2[nH]1 ZINC000587005755 ED Annotated Anodyne N=c1[nH]cc2nc(-c3cnn4cccc(Br)c34)nc-2[nH]1 ZINC000587006087 ED Annotated Anodyne Nc1nc(O)c2nc(-c3ccnc(Br)c3Cl)[nH]c2n1 ZINC000587006274 ED Annotated Anodyne Nc1nc(O)c2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 ZINC000587006347 ED Annotated Anodyne Oc1nc(O)c2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 ZINC000587006392 ED Annotated Anodyne Oc1nc(O)c2nc(-c3cccn4c(Br)cnc34)[nH]c2n1 ZINC000587006926 ED Annotated Anodyne Nc1nc(O)c2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 ZINC000587007035 ED Annotated Anodyne Oc1nncc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587007565 ED Annotated Anodyne Oc1nc(O)c2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 ZINC000587007673 ED Annotated Anodyne Nc1nc(O)c2nc(-c3cccn4c(Br)cnc34)[nH]c2n1 ZINC000587007804 ED Annotated Anodyne Nc1nccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008035 ED Annotated Anodyne Nc1ncnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587008110 ED Annotated Anodyne Nc1ncc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 ZINC000587008867 ED Annotated Anodyne Nc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cn1 ZINC000587008943 ED Annotated Anodyne N=c1[nH]cc2nc(-c3cnn4cc(Br)cnc34)nc-2[nH]1 ZINC000587009008 ED Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2nc(Br)c[nH]c-2n1 ZINC000587009115 ED Annotated Reactive Oc1ncnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587009198 ED Annotated Anodyne COC(=O)c1cc2[nH]c(C(C)(C)NC(=O)CCl)nc2cc1OC ZINC000587009508 ED Annotated Reactive COC(=O)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1OC ZINC000587009757 ED Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587009767 ED Annotated Reactive CC(C)(NC(=O)CCl)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587009936 ED Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)CCl)[nH]c2c1 ZINC000587010040 ED Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc([C@H](N)CCl)[nH]c2c1 ZINC000587010309 ED Annotated Reactive Cc1nc(Br)sc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587010541 ED Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587012302 ED Annotated Anodyne CCCc1sc(N)nc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587013361 ED Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c[nH]c(=N)[nH]c-3n2)cs1 ZINC000587014088 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(C#N)s3)[nH]c12 ZINC000587020783 ED Annotated Mild Cn1cc(-c2ncc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)s2)cn1 ZINC000587020877 ED Annotated Mild Nc1nc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cs1 ZINC000587021966 ED Annotated Anodyne Cn1cc(-c2ncc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)s2)cn1 ZINC000587022009 ED Annotated Anodyne N=c1nc(O)c2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2[nH]1 ZINC000587022120 ED Annotated Anodyne Cn1cc(-c2ncc(-c3nc4c(O)nc(S)nc4[nH]3)s2)cn1 ZINC000587022248 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)nc(N)nc3[nH]2)s1 ZINC000587023708 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cncnc3[nH]2)s1 ZINC000587023749 ED Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(N)ncc3[nH]2)s1 ZINC000587023826 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(N)ncnc3[nH]2)s1 ZINC000587024042 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(O)ncnc3[nH]2)s1 ZINC000587024118 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ncc[nH]c-3n2)s1 ZINC000587024211 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cnncc3[nH]2)s1 ZINC000587024239 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccnc(O)c3[nH]2)s1 ZINC000587024256 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(N)ccnc3[nH]2)s1 ZINC000587024291 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cnnc(O)c3[nH]2)s1 ZINC000587024330 ED Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccnc(N)c3[nH]2)s1 ZINC000587024395 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](N)c3ccsc3)[nH]c12 ZINC000587025238 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)c3ccsc3)[nH]c12 ZINC000587025241 ED Annotated Anodyne NNC(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025244 ED Annotated Reactive Sc1nnc(SCc2nc3ccc(-n4cnnn4)cc3[nH]2)s1 ZINC000587026044 ED Annotated Anodyne N=c1[nH]c2nc(CSc3nnc(S)s3)nc-2c(Cl)[nH]1 ZINC000587026072 ED Annotated Anodyne N#Cc1nc2nc(CSc3nnc(S)s3)[nH]c2nc1C#N ZINC000587026138 ED Annotated Mild Oc1nc(S)nc2[nH]c(CSc3nnc(S)s3)nc12 ZINC000587026476 ED Annotated Anodyne O=C(NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1cscn1 ZINC000587027364 ED Annotated Bother O=C(NCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1cscn1 ZINC000587027758 ED Annotated Anodyne O=C1CCc2cc3nc(CNC(=O)c4cscn4)[nH]c3cc2N1 ZINC000587027830 ED Annotated Anodyne O=C(NCc1nc2nc(Br)c[nH]c-2n1)c1cscn1 ZINC000587027899 ED Annotated Anodyne COC(=O)c1cc2[nH]c(CNC(=O)c3cscn3)nc2cc1OC ZINC000587028220 ED Annotated Anodyne N[C@H](Cc1cscn1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587028255 ED Annotated Anodyne COC(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1OC ZINC000587028267 ED Annotated Anodyne O=C1COc2cc3[nH]c(CNC(=O)c4cscn4)nc3cc2N1 ZINC000587028500 ED Annotated Anodyne CN(C)C(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 ZINC000587028641 ED Annotated Anodyne O=C(NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1cscn1 ZINC000587028764 ED Annotated Anodyne Cc1c(-c2nc3nc(N)ncc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029693 ED Annotated Anodyne O=C(NCc1nc2c(O)nc(S)nc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035076 ED Annotated Anodyne N=c1[nH]c2nc(CNC(=O)c3cc4c(s3)CCC4)nc-2c(Cl)[nH]1 ZINC000587035475 ED Annotated Anodyne N#Cc1nc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2nc1C#N ZINC000587035638 ED Annotated Mild O=C(NCc1nc2c(O)nc(O)nc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035771 ED Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)C1=O ZINC000587037968 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)C1=O ZINC000587037969 ED Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(C(=O)OC)ncc3[nH]2)C1=O ZINC000587038173 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(=O)OC)ncc3[nH]2)C1=O ZINC000587038176 ED Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(CCO)cc3[nH]2)C1=O ZINC000587038192 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(CCO)cc3[nH]2)C1=O ZINC000587038197 ED Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)C1=O ZINC000587038260 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)C1=O ZINC000587038261 ED Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C1=O ZINC000587038512 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C1=O ZINC000587038513 ED Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3c(C(=O)OC)ccnc3[nH]2)C1=O ZINC000587038706 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(C(=O)OC)ccnc3[nH]2)C1=O ZINC000587038708 ED Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncnc(N)c2[nH]1 ZINC000587038820 ED Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)C1=O ZINC000587038875 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)C1=O ZINC000587038879 ED Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)ncnc2[nH]1 ZINC000587039095 ED Annotated Anodyne Oc1nc(O)c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039133 ED Annotated Anodyne Oc1nc(O)c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039138 ED Annotated Anodyne Oc1nc(O)c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039139 ED Annotated Anodyne Oc1nc(O)c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039140 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039336 ED Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(=O)OC)nc3[nH]2)C1=O ZINC000587039545 ED Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(=O)OC)nc3[nH]2)C1=O ZINC000587039546 ED Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(N)ncc2[nH]1 ZINC000587039619 ED Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)nncc2[nH]1 ZINC000587039892 ED Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cccc(C(N)=O)c3[nH]2)C1=O ZINC000587040061 ED Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cccc(C(N)=O)c3[nH]2)C1=O ZINC000587040062 ED Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)C1=O ZINC000587040108 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)C1=O ZINC000587040109 ED Annotated Mild CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587040221 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587040386 ED Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587040857 ED Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587040862 ED Annotated Anodyne Nc1nc(O)c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587040931 ED Annotated Anodyne Nc1nc(O)c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587040932 ED Annotated Anodyne Nc1nc(O)c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587040933 ED Annotated Anodyne Nc1nc(O)c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587040934 ED Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587041117 ED Annotated Mild CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587041119 ED Annotated Mild CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587041567 ED Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587042156 ED Annotated Reactive CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587042163 ED Annotated Reactive Cc1c(Br)cnc2[nH]c([C@H]3CSCC(=O)N3)nc12 ZINC000587042178 ED Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3CSCC(=O)N3)nc12 ZINC000587042189 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3CSCC(=O)N3)nc2c1 ZINC000587042267 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CSCC(=O)N3)nc2c1 ZINC000587042268 ED Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)N1 ZINC000587042544 ED Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)N1 ZINC000587042545 ED Annotated Anodyne CC1=C(c2ccc3nc([C@H]4CSCC(=O)N4)[nH]c3c2)NNC(=O)C1 ZINC000587043642 ED Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4CSCC(=O)N4)[nH]c3c2)NNC(=O)C1 ZINC000587043643 ED Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587043706 ED Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587043707 ED Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3c(O)nc(S)nc3[nH]2)C1=O ZINC000587043841 ED Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(O)nc(S)nc3[nH]2)C1=O ZINC000587043845 ED Annotated Mild O=C1CSC[C@H](c2nc3c(F)cnc(Br)c3[nH]2)N1 ZINC000587044139 ED Annotated Anodyne O=C1CSC[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)N1 ZINC000587044140 ED Annotated Anodyne Cc1nc2[nH]c([C@H]3CSCC(=O)N3)nc2cc1Br ZINC000587044153 ED Annotated Anodyne Cc1nc2[nH]c([C@@H]3CSCC(=O)N3)nc2cc1Br ZINC000587044154 ED Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(Br)c(O)c3[nH]2)N1 ZINC000587044181 ED Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)N1 ZINC000587044182 ED Annotated Anodyne N#Cc1nc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2nc1C#N ZINC000587044361 ED Annotated Mild O=C1CSC[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)N1 ZINC000587044371 ED Annotated Anodyne O=C1CSC[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)N1 ZINC000587044372 ED Annotated Anodyne NNC(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587051269 ED Annotated Reactive N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587052001 ED Annotated Anodyne N#Cc1nc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2nc1C#N ZINC000587052393 ED Annotated Mild N=c1[nH]c2nc([C@H](N)Cc3ccc(O)c(Cl)c3)nc-2c(Cl)[nH]1 ZINC000587052488 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 ZINC000587058344 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 ZINC000587058357 ED Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3c[nH]c(=N)[nH]c-3n2)c[nH]1 ZINC000587061237 ED Annotated Anodyne COc1cnc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1Cl ZINC000587064354 ED Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl ZINC000587064958 ED Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1Cl ZINC000587065169 ED Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1Cl ZINC000587065809 ED Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587066786 ED Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(N)ncnc2[nH]1 ZINC000587066806 ED Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587067395 ED Annotated Anodyne Cc1c(-c2nc3c[nH]c(=N)[nH]c-3n2)nnn1Cc1ccc(Cl)cc1 ZINC000587074675 ED Annotated Anodyne Nc1nc(O)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 ZINC000587075318 ED Annotated Anodyne Oc1nc(O)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 ZINC000587075413 ED Annotated Anodyne Nc1nc(O)c2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 ZINC000587076074 ED Annotated Anodyne Nc1nc(O)c2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 ZINC000587076076 ED Annotated Anodyne N#Cc1nc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2nc1C#N ZINC000587076443 ED Annotated Mild Nc1nc(O)c2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 ZINC000587081258 ED Annotated Anodyne Nc1nc(O)c2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 ZINC000587081262 ED Annotated Anodyne Nc1nc(O)c2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2n1 ZINC000587081605 ED Annotated Anodyne C[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1cc(Cl)cn1 ZINC000587082327 ED Annotated Anodyne C[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1cc(Cl)cn1 ZINC000587082328 ED Annotated Anodyne C[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082763 ED Annotated Anodyne C[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082764 ED Annotated Anodyne COc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(Cl)n1 ZINC000587084334 ED Annotated Anodyne Oc1nc(O)c2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 ZINC000587084390 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(Cl)nc3)[nH]c12 ZINC000587084587 ED Annotated Anodyne Oc1nncc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084636 ED Annotated Anodyne Nc1nc(O)c2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 ZINC000587084686 ED Annotated Anodyne N=c1[nH]cc2nc(C3CCN(c4nccnc4Cl)CC3)nc-2[nH]1 ZINC000587085172 ED Annotated Anodyne Nc1ncnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587085304 ED Annotated Anodyne Oc1ncnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587085551 ED Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587086409 ED Annotated Anodyne Oc1nc(O)c2nc(C(F)(Br)Br)[nH]c2n1 ZINC000587086702 ED Annotated Anodyne Oc1ncnc2[nH]c(C(F)(Br)Br)nc12 ZINC000587086874 ED Annotated Anodyne Oc1nncc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087197 ED Annotated Anodyne Nc1nc(O)c2nc(C(F)(Br)Br)[nH]c2n1 ZINC000587087559 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587087609 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587087618 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587089211 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587089212 ED Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(O)ncnc3[nH]2)nn1CC(F)(F)F ZINC000587090875 ED Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccnc(O)c3[nH]2)nn1CC(F)(F)F ZINC000587091232 ED Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(O)nc(O)nc3[nH]2)nn1CC(F)(F)F ZINC000587091403 ED Annotated Bother N=c1[nH]cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc-2[nH]1 ZINC000587091751 ED Annotated Bother Oc1nc(O)c2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2n1 ZINC000587091951 ED Annotated Anodyne Nc1nccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091988 ED Annotated Bother Nc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cn1 ZINC000587092009 ED Annotated Bother Nc1nc(O)c2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2n1 ZINC000587092102 ED Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cnnc(O)c3[nH]2)nn1CC(F)(F)F ZINC000587092166 ED Annotated Bother Nc1ccnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 ZINC000587092243 ED Annotated Bother Nc1ncnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 ZINC000587092291 ED Annotated Bother Cc1csc([C@](O)(Cc2nc3cnnc(O)c3[nH]2)C(F)(F)F)n1 ZINC000587093397 ED Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cnnc(O)c3[nH]2)C(F)(F)F)n1 ZINC000587093401 ED Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(O)ncnc3[nH]2)C(F)(F)F)n1 ZINC000587093857 ED Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(O)ncnc3[nH]2)C(F)(F)F)n1 ZINC000587093859 ED Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2n1 ZINC000587093877 ED Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2n1 ZINC000587093878 ED Annotated Anodyne COC(=O)c1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cn1 ZINC000587094044 ED Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cn1 ZINC000587094045 ED Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587094186 ED Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587094187 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc12 ZINC000587094682 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc12 ZINC000587094683 ED Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(N)ncnc3[nH]2)C(F)(F)F)n1 ZINC000587094870 ED Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(N)ncnc3[nH]2)C(F)(F)F)n1 ZINC000587094871 ED Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587094987 ED Annotated Reactive C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587094997 ED Annotated Reactive Cc1csc([C@](O)(Cc2nc3c[nH]c(=N)[nH]c-3n2)C(F)(F)F)n1 ZINC000587095210 ED Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c[nH]c(=N)[nH]c-3n2)C(F)(F)F)n1 ZINC000587095214 ED Annotated Anodyne N=c1nn[nH]n1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105362 ED Annotated Anodyne Nc1nc(O)c2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2n1 ZINC000587108599 ED Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2n1 ZINC000587109653 ED Annotated Anodyne Nc1nc(O)c2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587114323 ED Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587116540 ED Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587116543 ED Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccnc(N)c2[nH]1 ZINC000587116748 ED Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587116867 ED Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587116877 ED Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(N)ncnc2[nH]1 ZINC000587117093 ED Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(O)ncnc2[nH]1 ZINC000587117398 ED Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cncnc2[nH]1 ZINC000587117514 ED Annotated Bother Nc1nc(O)c2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2n1 ZINC000587117680 ED Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cnnc(O)c2[nH]1 ZINC000587117801 ED Annotated Bother N#Cc1nc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2nc1C#N ZINC000587117810 ED Annotated Mild FC(F)(F)c1ccn(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 ZINC000587117920 ED Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(N)ncc2[nH]1 ZINC000587118176 ED Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ncc[nH]c-2n1 ZINC000587118328 ED Annotated Bother NNC(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118367 ED Annotated Reactive N=c1[nH]c2nc(CCn3ccc(C(F)(F)F)n3)nc-2c(Cl)[nH]1 ZINC000587118878 ED Annotated Anodyne Oc1nc(S)nc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12 ZINC000587118888 ED Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cnncc2[nH]1 ZINC000587119110 ED Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587119146 ED Annotated Anodyne Oc1nc(O)c2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2n1 ZINC000587119248 ED Annotated Anodyne N=c1[nH]cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)nc-2[nH]1 ZINC000587119856 ED Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c[nH]c(=N)[nH]c-4n3)cc2N1 ZINC000587123258 ED Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c[nH]c(=N)[nH]c-4n3)cc2N1 ZINC000587123259 ED Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c[nH]c(=N)[nH]c-4n3)cc2N1 ZINC000587123261 ED Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c[nH]c(=N)[nH]c-4n3)cc2N1 ZINC000587123262 ED Annotated Anodyne N#Cc1nc2nc(-c3cccc(OCC(F)F)n3)[nH]c2nc1C#N ZINC000587123289 ED Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)[C@@H](C)F)[nH]c2c1 ZINC000587126365 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)[C@@H](C)F)[nH]c2c1 ZINC000587126369 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)[C@H](C)F)[nH]c2c1 ZINC000587126370 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)[C@H](C)F)[nH]c2c1 ZINC000587126371 ED Annotated Anodyne Nc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cn1 ZINC000587126881 ED Annotated Anodyne Nc1ccnc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c12 ZINC000587126884 ED Annotated Anodyne Nc1ncnc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c12 ZINC000587126894 ED Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2ncc[nH]c-2n1)C(F)(F)F ZINC000587126897 ED Annotated Anodyne Nc1nccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587127126 ED Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(O)ncnc2[nH]1)C(F)(F)F ZINC000587127173 ED Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2ncncc2[nH]1)C(F)(F)F ZINC000587127397 ED Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cnncc2[nH]1)C(F)(F)F ZINC000587127405 ED Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(O)nncc2[nH]1)C(F)(F)F ZINC000587127432 ED Annotated Anodyne N=c1[nH]cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)nc-2[nH]1 ZINC000587127527 ED Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587127776 ED Annotated Bother N#Cc1nc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2nc1C#N ZINC000587127864 ED Annotated Mild N=c1[nH]c2nc(-c3cnc4ncnn4c3C(F)F)nc-2c(Cl)[nH]1 ZINC000587127922 ED Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2n1 ZINC000587127963 ED Annotated Anodyne NNC(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587128038 ED Annotated Reactive Oc1nc(S)nc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc12 ZINC000587128058 ED Annotated Anodyne Cn1nnc(-c2nc3nc(Br)c[nH]c-3n2)c1C(F)F ZINC000587128123 ED Annotated Anodyne COC(=O)c1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cn1 ZINC000587128933 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc12 ZINC000587128940 ED Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 ZINC000587129307 ED Annotated Bother CC(C)OC(=O)C1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC(F)(F)C1 ZINC000587131105 ED Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(O)nc(S)nc3[nH]2)CC(F)(F)C1 ZINC000587131278 ED Annotated Anodyne CC(C)OC(=O)C1(c2nc3nc(C#N)c(C#N)nc3[nH]2)CC(F)(F)C1 ZINC000587131559 ED Annotated Mild CC(C)OC(=O)C1(c2nc3c(O)nc(N)nc3[nH]2)CC(F)(F)C1 ZINC000587131763 ED Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(O)nc(O)nc3[nH]2)CC(F)(F)C1 ZINC000587131796 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(N)ncnc3[nH]2)C(F)(F)C1 ZINC000587131967 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(N)ncnc3[nH]2)C(F)(F)C1 ZINC000587131977 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c[nH]c(=N)[nH]c-3n2)C(F)(F)C1 ZINC000587132545 ED Annotated Anodyne COc1c(F)ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1N ZINC000587132555 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c[nH]c(=N)[nH]c-3n2)C(F)(F)C1 ZINC000587132556 ED Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1N ZINC000587133656 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 ZINC000587133889 ED Annotated Anodyne Nc1nc(O)c2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2n1 ZINC000587135178 ED Annotated Anodyne O=S(=O)(NCc1nc2ncc[nH]c-2n1)c1ccc(F)c(F)c1F ZINC000587135465 ED Annotated Anodyne O=S(=O)(NCc1nc2cccnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135479 ED Annotated Anodyne O=S(=O)(NCc1nc2cncnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135674 ED Annotated Anodyne O=S(=O)(NCc1nc2cnccc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135886 ED Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1F ZINC000587136109 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(N)c(N)cc3F)[nH]c12 ZINC000587136145 ED Annotated Anodyne O=S(=O)(NCc1nc2cnncc2[nH]1)c1ccc(F)c(F)c1F ZINC000587136255 ED Annotated Anodyne Cc1cc(N(C)Cc2nc3c(N)ncnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136941 ED Annotated Bother Cc1cc(N(C)Cc2nc3c(O)nc(N)nc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137007 ED Annotated Bother Cc1cc(N(C)Cc2nc3c[nH]c(=N)[nH]c-3n2)c([N+](=O)[O-])cc1F ZINC000587137145 ED Annotated Bother Cc1cc(N(C)Cc2nc3c(O)nc(O)nc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137148 ED Annotated Bother NS(=O)(=O)c1ccc(F)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000587140103 ED Annotated Bother NS(=O)(=O)c1ccc(F)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587140110 ED Annotated Bother NS(=O)(=O)c1ccc(F)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587140140 ED Annotated Bother NS(=O)(=O)c1ccc(F)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587141962 ED Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587142017 ED Annotated Anodyne N#Cc1nc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2nc1C#N ZINC000587148127 ED Annotated Mild NNC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148418 ED Annotated Reactive N=c1[nH]cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc-2[nH]1 ZINC000587149045 ED Annotated Anodyne N=c1[nH]cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc-2[nH]1 ZINC000587149048 ED Annotated Anodyne N[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)cc1F ZINC000587149326 ED Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3c(O)nc(S)nc3[nH]2)cc1F ZINC000587149345 ED Annotated Bother O=C1C[C@@H](c2nc3c(O)ncnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149593 ED Annotated Anodyne O=C1C[C@H](c2nc3c(O)ncnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149595 ED Annotated Anodyne N[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(F)cc1F ZINC000587150025 ED Annotated Anodyne COc1ccc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(F)c1 ZINC000587150092 ED Annotated Anodyne O=C1C[C@@H](c2nc3cnnc(O)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150973 ED Annotated Anodyne O=C1C[C@H](c2nc3cnnc(O)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150975 ED Annotated Anodyne Nc1ncnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 ZINC000587151232 ED Annotated Anodyne Nc1ncnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 ZINC000587151238 ED Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587151467 ED Annotated Anodyne N=c1[nH]c2nc(COc3ccc([N+](=O)[O-])c(F)c3)nc-2c(Cl)[nH]1 ZINC000587152380 ED Annotated Bother N[C@@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153781 ED Annotated Anodyne N[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587153782 ED Annotated Anodyne N[C@@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587153783 ED Annotated Anodyne N[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153784 ED Annotated Anodyne C[C@@]1(c2nc3c(O)nc(O)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154321 ED Annotated Anodyne C[C@]1(c2nc3c(O)nc(O)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154325 ED Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(F)c(Br)n3)[nH]c2n1 ZINC000587154688 ED Annotated Anodyne NNC(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587154718 ED Annotated Reactive NNC(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587154733 ED Annotated Reactive NNC(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587154734 ED Annotated Reactive NNC(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587154735 ED Annotated Reactive CC1=C(c2ccc3nc(-c4nn(C)c(O)c4F)[nH]c3c2)NNC(=O)C1 ZINC000587155001 ED Annotated Anodyne COc1cc(-c2nc3c(N)ncnc3[nH]2)nn1-c1ccccc1F ZINC000587155298 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3nn(C)c(O)c3F)[nH]c12 ZINC000587155868 ED Annotated Anodyne Oc1nc(O)c2nc(-c3ccc(F)c(Br)n3)[nH]c2n1 ZINC000587156163 ED Annotated Anodyne Nc1nc(O)c2nc(-c3ncc(Br)cc3F)[nH]c2n1 ZINC000587157152 ED Annotated Anodyne COc1cc(-c2nc3c[nH]c(=N)[nH]c-3n2)nn1-c1ccccc1F ZINC000587157173 ED Annotated Anodyne Oc1nc(O)c2nc(-c3ncc(Br)cc3F)[nH]c2n1 ZINC000587158011 ED Annotated Anodyne C[C@@]1(c2nc3c(O)nc(N)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158497 ED Annotated Anodyne C[C@]1(c2nc3c(O)nc(N)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158519 ED Annotated Anodyne NNC(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587159514 ED Annotated Reactive O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587159608 ED Annotated Bother N#Cc1nc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2nc1C#N ZINC000587159611 ED Annotated Mild N=c1[nH]c2nc(COc3cc(F)ccc3[N+](=O)[O-])nc-2c(Cl)[nH]1 ZINC000587159730 ED Annotated Bother NS(=O)(=O)c1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 ZINC000587160037 ED Annotated Bother N=c1[nH]cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)nc-2[nH]1 ZINC000587160897 ED Annotated Anodyne Nc1nccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587162529 ED Annotated Anodyne Nc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cn1 ZINC000587163067 ED Annotated Anodyne Nc1ccnc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12 ZINC000587163090 ED Annotated Anodyne O=C1CC=C(c2nc3c(O)ncnc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163465 ED Annotated Anodyne N=c1[nH]cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc-2[nH]1 ZINC000587164182 ED Annotated Anodyne Nc1ncnc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12 ZINC000587164686 ED Annotated Anodyne O=C1CC=C(c2nc3cnnc(O)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164753 ED Annotated Anodyne Nc1nc(O)c2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2n1 ZINC000587165381 ED Annotated Anodyne Oc1nc(O)c2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2n1 ZINC000587165550 ED Annotated Anodyne N#Cc1nc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2nc1C#N ZINC000587166730 ED Annotated Mild N#Cc1nc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2nc1C#N ZINC000587166731 ED Annotated Mild N=c1[nH]cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc-2[nH]1 ZINC000587167664 ED Annotated Anodyne CN(Cc1nc2cc(N)ncc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169330 ED Annotated Anodyne CN(Cc1nc2cc(N)c(N)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169725 ED Annotated Anodyne CN(Cc1nc2ccnc(O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169782 ED Annotated Anodyne CN(Cc1nc2cnnc(O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170206 ED Annotated Anodyne N#Cc1nc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2nc1C#N ZINC000587170506 ED Annotated Mild CN(Cc1nc2c(O)ncnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170807 ED Annotated Anodyne NNC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587170873 ED Annotated Reactive CN(Cc1nc2c(N)ccnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171405 ED Annotated Anodyne CN(Cc1nc2ccnc(N)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171407 ED Annotated Anodyne Oc1nc(S)nc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc12 ZINC000587171552 ED Annotated Anodyne N=c1[nH]c2nc(Cc3cc(F)cc4c3OCOC4)nc-2c(Cl)[nH]1 ZINC000587172187 ED Annotated Anodyne C[C@@]1(c2nc3nc(C#N)c(C#N)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173846 ED Annotated Mild C[C@]1(c2nc3nc(C#N)c(C#N)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173851 ED Annotated Mild C[C@@]1(c2nc3c(O)nc(N)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174159 ED Annotated Anodyne C[C@]1(c2nc3c(O)nc(N)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174164 ED Annotated Anodyne C[C@@]1(c2nc3c(O)nc(O)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174641 ED Annotated Anodyne C[C@]1(c2nc3c(O)nc(O)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174642 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587177094 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3c(F)cncc3Cl)[nH]c12 ZINC000587177140 ED Annotated Anodyne N#Cc1nc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2nc1C#N ZINC000587177553 ED Annotated Mild NS(=O)(=O)c1cccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 ZINC000587177748 ED Annotated Anodyne Nc1nc(O)c2nc(-c3cc(Br)cnc3F)[nH]c2n1 ZINC000587177966 ED Annotated Anodyne Oc1nc(O)c2nc(-c3cc(Br)cnc3F)[nH]c2n1 ZINC000587178062 ED Annotated Anodyne Nc1nc(O)c2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2n1 ZINC000587179918 ED Annotated Unstable Nc1ncnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12 ZINC000587180337 ED Annotated Unstable N=c1[nH]cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)nc-2[nH]1 ZINC000587180343 ED Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000587180516 ED Annotated Unstable Nc1ncnc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587184680 ED Annotated Anodyne Oc1ncnc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587184951 ED Annotated Anodyne N=c1[nH]cc2nc(-c3cncc(I)c3)nc-2[nH]1 ZINC000587184968 ED Annotated Anodyne Oc1nncc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185301 ED Annotated Anodyne Oc1nccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186054 ED Annotated Anodyne Nc1cc2nc(-c3nccnc3I)[nH]c2cn1 ZINC000587186636 ED Annotated Anodyne Nc1nccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186725 ED Annotated Anodyne Nc1ccnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186750 ED Annotated Anodyne Oc1ncnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186759 ED Annotated Anodyne Oc1nncc2nc(-c3nccnc3I)[nH]c12 ZINC000587186817 ED Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587189924 ED Annotated Mild N#Cc1ccc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587190108 ED Annotated Mild CN(CCO)c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000587192992 ED Annotated Clean Nc1nccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587193116 ED Annotated Anodyne O=C(O)CCN(CCc1nc2cnncc2[nH]1)Cc1ccccc1 ZINC000587193180 ED Annotated Anodyne O=C(O)CCN(CCc1nc2c(O)ncnc2[nH]1)Cc1ccccc1 ZINC000587193264 ED Annotated Anodyne O=C(O)CCN(CCc1nc2cnnc(O)c2[nH]1)Cc1ccccc1 ZINC000587193363 ED Annotated Anodyne N=c1[nH]cc2nc(CCN(CCC(=O)O)Cc3ccccc3)nc-2[nH]1 ZINC000587193790 ED Annotated Anodyne O=C(O)CCN(CCc1nc2cncnc2[nH]1)Cc1ccccc1 ZINC000587193808 ED Annotated Anodyne Nc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cn1 ZINC000587193863 ED Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(N)ncnc2[nH]1 ZINC000587193901 ED Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(N)ncnc2[nH]1 ZINC000587193902 ED Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cnnc(O)c2[nH]1 ZINC000587193903 ED Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cnnc(O)c2[nH]1 ZINC000587193904 ED Annotated Anodyne Nc1ncnc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 ZINC000587194007 ED Annotated Anodyne O=C(O)CCN(CCc1nc2ncc[nH]c-2n1)Cc1ccccc1 ZINC000587194017 ED Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(N)ncc2[nH]1 ZINC000587194162 ED Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(N)ncc2[nH]1 ZINC000587194163 ED Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587194238 ED Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587194240 ED Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587194352 ED Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccnc(N)c2[nH]1 ZINC000587194384 ED Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccnc(N)c2[nH]1 ZINC000587194385 ED Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(O)ncnc2[nH]1 ZINC000587194924 ED Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(O)ncnc2[nH]1 ZINC000587194925 ED Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587195920 ED Annotated Anodyne CN(C)c1ncccc1-c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 ZINC000587196214 ED Annotated Anodyne CN(C)C(=O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587196583 ED Annotated Clean CN(C)C(=O)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587196585 ED Annotated Anodyne CN(C)C(=O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587196792 ED Annotated Anodyne CN(C)C(=O)Cc1nc2cc(I)cnc2[nH]1 ZINC000587196959 ED Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(O)ncnc2[nH]1)C[C@@H]1CCCO1 ZINC000587197124 ED Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(O)ncnc2[nH]1)C[C@H]1CCCO1 ZINC000587197125 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC(=O)N(C)C)[nH]c2c1 ZINC000587197131 ED Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(N)ncnc2[nH]1)C[C@@H]1CCCO1 ZINC000587197137 ED Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(N)ncnc2[nH]1)C[C@H]1CCCO1 ZINC000587197138 ED Annotated Anodyne CN(C)C(=O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587197164 ED Annotated Bother CN(C)C(=O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587197387 ED Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cnnc(O)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197498 ED Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cnnc(O)c2[nH]1)C[C@H]1CCCO1 ZINC000587197500 ED Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c[nH]c(=N)[nH]c-2n1)C[C@@H]1CCCO1 ZINC000587197686 ED Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c[nH]c(=N)[nH]c-2n1)C[C@H]1CCCO1 ZINC000587197687 ED Annotated Anodyne CN(C)C(=O)Cc1nc2ccc(I)cc2[nH]1 ZINC000587197701 ED Annotated Anodyne CN(C)C(=O)Cc1nc2cccc(I)c2[nH]1 ZINC000587197923 ED Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CC(=O)N(C)C)nc2c1 ZINC000587197978 ED Annotated Anodyne CN(C)C(=O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587198132 ED Annotated Bother C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)NCCCC)cc2[nH]1 ZINC000587202266 ED Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 ZINC000587202491 ED Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 ZINC000587202505 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587202608 ED Annotated Mild CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587202612 ED Annotated Mild CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587203057 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587203058 ED Annotated Anodyne COC(=O)c1cccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 ZINC000587203183 ED Annotated Anodyne COC(=O)c1cccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 ZINC000587203184 ED Annotated Anodyne C=C(NC(C)=O)c1nc2cc(I)cnc2[nH]1 ZINC000587203251 ED Annotated Anodyne COc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1F ZINC000587203454 ED Annotated Anodyne COc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1F ZINC000587203460 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587203543 ED Annotated Bother CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587203544 ED Annotated Bother CC(=O)c1ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587203801 ED Annotated Anodyne CC(=O)c1ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587203802 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587203893 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587203895 ED Annotated Anodyne Cc1cc2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1[N+](=O)[O-] ZINC000587203901 ED Annotated Bother Cc1cc2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1[N+](=O)[O-] ZINC000587203905 ED Annotated Bother C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587203954 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(CCO)cc2[nH]1 ZINC000587204243 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(CCO)cc2[nH]1 ZINC000587204245 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587204306 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587204307 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587204332 ED Annotated Mild CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587204333 ED Annotated Mild Cc1cnc(Cl)c2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc12 ZINC000587204334 ED Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc12 ZINC000587204335 ED Annotated Anodyne C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587204498 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587205034 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587205035 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587205075 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587205081 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587205090 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587205091 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587205168 ED Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587205169 ED Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587205210 ED Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587205211 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587205212 ED Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587205213 ED Annotated Anodyne Cn1c(=O)c2cc(-c3cc4c5c(cccc5n3)CC4)n(C)c2n(C)c1=O ZINC000587211080 ED Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)Cc1cc2c3c(cccc3n1)CC2 ZINC000587212262 ED Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OC)c2nc3cccc4c3c(c21)CC4 ZINC000587212666 ED Annotated Anodyne COC(=O)[C@@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1cccc3c1c2CC3 ZINC000587212673 ED Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@@H](C(=O)OC)c2c1nc1cccc3c1c2CC3 ZINC000587212674 ED Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1cccc3c1c2CC3 ZINC000587212679 ED Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1ccc(C)cc1 ZINC000587217717 ED Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1ccc(C)cc1 ZINC000587217719 ED Annotated Anodyne CC(=O)N[C@H](Cc1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccc(C)cc1 ZINC000587217768 ED Annotated Mild CC(=O)N[C@@H](Cc1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccc(C)cc1 ZINC000587217778 ED Annotated Mild CC(=O)N[C@H](Cc1nc2c(O)nc(N)nc2[nH]1)c1ccc(C)cc1 ZINC000587217836 ED Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(O)nc(N)nc2[nH]1)c1ccc(C)cc1 ZINC000587217842 ED Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)cc1 ZINC000587223181 ED Annotated Mild C[C@H](Oc1ccccc1)C(=O)NCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587223341 ED Annotated Mild C[C@@H](Oc1ccccc1)C(=O)NCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587223345 ED Annotated Mild CCOC(=O)CNc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000587223735 ED Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587224375 ED Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587224385 ED Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587224993 ED Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587224994 ED Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587225396 ED Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587225400 ED Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587225822 ED Annotated Bother C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587225826 ED Annotated Bother C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587226223 ED Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587226229 ED Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587226244 ED Annotated Anodyne O=C(Cc1ccccc1)NCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587227896 ED Annotated Bother O=C(O)CNCCNCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587228334 ED Annotated Anodyne N#Cc1cc2nc(CNCCNCC(=O)O)[nH]c2cc1C(F)(F)F ZINC000587228641 ED Annotated Mild O=C(O)CNCCNCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587228652 ED Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cnncc3[nH]2)cc1 ZINC000587228945 ED Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ncc[nH]c-3n2)cc1 ZINC000587228981 ED Annotated Anodyne O=C(O)CNCCNCc1nc2cccc(Br)c2[nH]1 ZINC000587229041 ED Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cncnc3[nH]2)cc1 ZINC000587229054 ED Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587229067 ED Annotated Anodyne O=C(O)CNCCNCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587229085 ED Annotated Anodyne Cc1c(Br)ccc2nc(CNCCNCC(=O)O)[nH]c12 ZINC000587229087 ED Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587229111 ED Annotated Anodyne O=C(O)CNCCNCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587229120 ED Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(Br)cc2[nH]1 ZINC000587229209 ED Annotated Anodyne Cc1cc(Br)cc2nc(CNCCNCC(=O)O)[nH]c12 ZINC000587229210 ED Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587229374 ED Annotated Anodyne Cc1cc2nc(CNCCNCC(=O)O)[nH]c2cc1Br ZINC000587229403 ED Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587229442 ED Annotated Anodyne O=C(O)CNCCNCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587229573 ED Annotated Anodyne O=C(O)CNCCNCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587229582 ED Annotated Anodyne Cc1cc(Br)c2[nH]c(CNCCNCC(=O)O)nc2c1 ZINC000587229599 ED Annotated Anodyne CCNC(=O)CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587230454 ED Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000587230503 ED Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000587230507 ED Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000587230508 ED Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000587230509 ED Annotated Anodyne CCNC(=O)CCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587230722 ED Annotated Anodyne CCNC(=O)CCc1nc2cc(I)cnc2[nH]1 ZINC000587230825 ED Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587231166 ED Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587231167 ED Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587231168 ED Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587231170 ED Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587231382 ED Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587231384 ED Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587231387 ED Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587231390 ED Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587231462 ED Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587231463 ED Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587231465 ED Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587231467 ED Annotated Bother CCNC(=O)CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587231687 ED Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587232131 ED Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587232132 ED Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587232133 ED Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587232134 ED Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587233139 ED Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587233151 ED Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587233219 ED Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(O)nc(N)nc2[nH]1 ZINC000587233252 ED Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cnnc(O)c3[nH]2)CCC(=O)CC1 ZINC000587233716 ED Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c[nH]c(=N)[nH]c-3n2)CCC(=O)CC1 ZINC000587234506 ED Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(O)ncnc3[nH]2)CCC(=O)CC1 ZINC000587234595 ED Annotated Anodyne CC(=O)NC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCC(C)CC1 ZINC000587234821 ED Annotated Reactive CC(C)(C)OC(=O)NC1(c2nc3c(N)ncnc3[nH]2)CCC(=O)CC1 ZINC000587234857 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587236128 ED Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587236129 ED Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587236130 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587236131 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587236178 ED Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587236179 ED Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587236180 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587236181 ED Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587236367 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587236368 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587236369 ED Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587236370 ED Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587236463 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587236467 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587236468 ED Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587236469 ED Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c[nH]c(=N)[nH]c-3n2)CCC(O)CC1 ZINC000587236662 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587236722 ED Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587236723 ED Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587236724 ED Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587236725 ED Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ncc[nH]c-3n2)CCC(O)CC1 ZINC000587236990 ED Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(N)ncnc3[nH]2)CCC(O)CC1 ZINC000587237016 ED Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(O)ncnc3[nH]2)CCC(O)CC1 ZINC000587237193 ED Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cnnc(O)c3[nH]2)CCC(O)CC1 ZINC000587237240 ED Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3nc(C#N)c(C#N)nc3[nH]2)c1C ZINC000587238958 ED Annotated Mild Cc1c(NC(N)=O)cccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587239507 ED Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(C(=O)NN)cc3[nH]2)c1C ZINC000587239513 ED Annotated Reactive NC(=O)Nc1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587242442 ED Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000587244916 ED Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COCCN)nc2c1 ZINC000587245165 ED Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cn1 ZINC000587245184 ED Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COCCN)nc2c1 ZINC000587245209 ED Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cn1 ZINC000587245564 ED Annotated Anodyne COC(=O)Nc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cn1 ZINC000587245580 ED Annotated Anodyne NCCOCCOCCc1nc2ccc(Br)nc2[nH]1 ZINC000587245631 ED Annotated Anodyne NCCOCCOCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587245696 ED Annotated Anodyne NCCOCCOCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587245806 ED Annotated Anodyne NCCOCCOCCc1nc2cccc(Br)c2[nH]1 ZINC000587245918 ED Annotated Anodyne N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCOC1 ZINC000587245971 ED Annotated Bother N[C@@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCOC1 ZINC000587245973 ED Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(CN)c3)[nH]c12 ZINC000587245974 ED Annotated Anodyne NCCOCCOCCc1nc2ccc(Br)cc2[nH]1 ZINC000587246030 ED Annotated Anodyne NCCOCCOCCc1nc2cncc(Br)c2[nH]1 ZINC000587246055 ED Annotated Anodyne NCCOCCOCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587246066 ED Annotated Anodyne NCCOCCOCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587246093 ED Annotated Anodyne NCCOCCOCCc1nc2cc(Br)cnc2[nH]1 ZINC000587246094 ED Annotated Anodyne NCCOCCOCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587246095 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCOCCOCCN)nc2c1 ZINC000587246202 ED Annotated Anodyne NCCOCCOCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587246208 ED Annotated Anodyne NCCOCCOCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587246216 ED Annotated Bother NCCOCCOCCc1nc2ccnc(Br)c2[nH]1 ZINC000587246269 ED Annotated Anodyne NCCOCCOCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587246357 ED Annotated Anodyne NCCOCCOCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587246566 ED Annotated Anodyne NCCOCCOCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587246597 ED Annotated Anodyne NCCOCCOCCc1nc2cc(Br)ncc2[nH]1 ZINC000587246684 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COCCN)[nH]c2c1 ZINC000587246752 ED Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCOCCOCCN)nc12 ZINC000587246760 ED Annotated Anodyne NCCOCCOCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587246786 ED Annotated Anodyne NCCOCCOCCc1nc2c(Br)ccnc2[nH]1 ZINC000587246802 ED Annotated Anodyne N#Cc1cc2nc(CCOCCOCCN)[nH]c2cc1C(F)(F)F ZINC000587246811 ED Annotated Mild Cc1nc2[nH]c(CCOCCOCCN)nc2cc1Br ZINC000587246868 ED Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCOCCOCCN)[nH]c2c1 ZINC000587246927 ED Annotated Anodyne N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCOC1 ZINC000587246928 ED Annotated Bother N[C@@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCOC1 ZINC000587246931 ED Annotated Bother CN(C)CCOc1ccc2nc(CCOCCOCCN)[nH]c2c1 ZINC000587246952 ED Annotated Anodyne NCCOCCOCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587246956 ED Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)C2 ZINC000587247239 ED Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)C2 ZINC000587247240 ED Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3nc(C#N)c(C#N)nc3[nH]1)C2 ZINC000587247410 ED Annotated Mild COc1ccc2c(c1)CC[C@@](N)(c1nc3nc(C#N)c(C#N)nc3[nH]1)C2 ZINC000587247413 ED Annotated Mild N[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCOC1 ZINC000587247471 ED Annotated Anodyne N[C@@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCOC1 ZINC000587247475 ED Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(O)nc(S)nc3[nH]1)C2 ZINC000587247593 ED Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(O)nc(S)nc3[nH]1)C2 ZINC000587247594 ED Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@]3(N)CCOC3)nc2c1 ZINC000587247771 ED Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(N)CCOC3)nc2c1 ZINC000587247777 ED Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(O)nc(O)nc3[nH]1)C2 ZINC000587247811 ED Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(O)nc(O)nc3[nH]1)C2 ZINC000587247813 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@]3(N)CCOC3)[nH]c2c1 ZINC000587248054 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@]3(N)CCOC3)[nH]c2c1 ZINC000587248055 ED Annotated Anodyne N[C@]1(c2nc3cccc(I)c3[nH]2)CCOC1 ZINC000587248242 ED Annotated Anodyne N[C@@]1(c2nc3cccc(I)c3[nH]2)CCOC1 ZINC000587248243 ED Annotated Anodyne N[C@@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCOC1 ZINC000587248438 ED Annotated Anodyne N[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCOC1 ZINC000587248439 ED Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCOC1 ZINC000587248528 ED Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCOC1 ZINC000587248529 ED Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587248577 ED Annotated Anodyne N[C@@]1(c2nc3cc(I)cnc3[nH]2)CCOC1 ZINC000587248611 ED Annotated Anodyne N[C@]1(c2nc3cc(I)cnc3[nH]2)CCOC1 ZINC000587248615 ED Annotated Anodyne N[C@]1(c2nc3ccc(I)cc3[nH]2)CCOC1 ZINC000587248765 ED Annotated Anodyne N[C@@]1(c2nc3ccc(I)cc3[nH]2)CCOC1 ZINC000587248767 ED Annotated Anodyne N[C@@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCOC1 ZINC000587248859 ED Annotated Clean N[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCOC1 ZINC000587248862 ED Annotated Clean Nc1cc(C(=O)O)ccc1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587249047 ED Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2n1 ZINC000587249312 ED Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587249391 ED Annotated Anodyne Cc1ccc(CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1N ZINC000587249396 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(N)c(C#N)c3)[nH]c12 ZINC000587250010 ED Annotated Mild Nc1cc(C(=O)O)ccc1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587250117 ED Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587250216 ED Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587250265 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3ccc(C(=O)O)cc3N)nc12 ZINC000587250345 ED Annotated Anodyne Nc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1CC(=O)O ZINC000587250448 ED Annotated Anodyne Nc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1CC(=O)O ZINC000587250472 ED Annotated Anodyne Cc1ccc(CCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1N ZINC000587250592 ED Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587250630 ED Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cn1 ZINC000587250685 ED Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587250689 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3c(N)cccc3O)[nH]c12 ZINC000587250723 ED Annotated Anodyne Nc1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1C(=O)O ZINC000587250746 ED Annotated Anodyne Nc1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1CC(=O)O ZINC000587250954 ED Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587251191 ED Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587251653 ED Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587251908 ED Annotated Anodyne Nc1cnc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)nc1 ZINC000587252847 ED Annotated Anodyne Nc1cnc(-c2nc3ncc(I)cc3[nH]2)nc1 ZINC000587252945 ED Annotated Anodyne Nc1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)c(O)n1 ZINC000587253158 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3cccnc3N)[nH]c2c1 ZINC000587253277 ED Annotated Anodyne COc1cncc(N)c1-c1nc2cc(S(=O)(=O)N(C)C)ccc2[nH]1 ZINC000587253676 ED Annotated Anodyne Nc1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(O)n1 ZINC000587253867 ED Annotated Anodyne CC1=C(c2ccc3nc(Cc4cccnc4N)[nH]c3c2)NNC(=O)C1 ZINC000587253882 ED Annotated Anodyne Nc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c2ccccc2n1 ZINC000587253927 ED Annotated Anodyne Nc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(O)n1 ZINC000587253998 ED Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cn1 ZINC000587254159 ED Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cnc(N)nc3O)nc2c1 ZINC000587254176 ED Annotated Mild N=c1ncc(-c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)c[nH]1 ZINC000587254550 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(N)nc3)[nH]c12 ZINC000587254571 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3cccnc3N)[nH]c12 ZINC000587254598 ED Annotated Anodyne CC1=C(c2ccc3nc(Cc4ccc(N)nc4)[nH]c3c2)NNC(=O)C1 ZINC000587254976 ED Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)=C1N ZINC000587254977 ED Annotated Bother N#Cc1nc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2nc1C#N ZINC000587254983 ED Annotated Mild CC1(C)OC(=O)C(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)=C1N ZINC000587255004 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc(N)nc3)[nH]c2c1 ZINC000587255144 ED Annotated Anodyne COC(=O)c1cc2[nH]c(C3=C(N)C(C)(C)OC3=O)nc2cc1OC ZINC000587255175 ED Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CC3CC(N)C3)[nH]c2c1 ZINC000587255214 ED Annotated Anodyne N[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C1COC1 ZINC000587255329 ED Annotated Bother N[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C1COC1 ZINC000587255333 ED Annotated Anodyne N[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C1COC1 ZINC000587255366 ED Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2c1 ZINC000587255403 ED Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587255491 ED Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587255564 ED Annotated Anodyne CC1(C)OC(=O)C(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)=C1N ZINC000587255621 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC3CC(N)C3)[nH]c2c1 ZINC000587255641 ED Annotated Anodyne COC(=O)c1ccc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2c1OC ZINC000587255656 ED Annotated Anodyne N[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C1COC1 ZINC000587255691 ED Annotated Clean COC(=O)c1cc(Br)c2[nH]c([C@H](N)C3COC3)nc2c1 ZINC000587255710 ED Annotated Anodyne CC1(C)OC(=O)C(c2nc3c(F)cnc(Br)c3[nH]2)=C1N ZINC000587255774 ED Annotated Anodyne NC1CC(Cc2nc3cc(I)cnc3[nH]2)C1 ZINC000587255796 ED Annotated Anodyne N[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C1COC1 ZINC000587255869 ED Annotated Bother N[C@@H](c1nc2cc(I)cnc2[nH]1)C1COC1 ZINC000587255947 ED Annotated Anodyne COC(=O)c1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587256067 ED Annotated Anodyne N[C@@H](c1nc2ccc(I)cc2[nH]1)C1COC1 ZINC000587256088 ED Annotated Anodyne COC(=O)c1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587256133 ED Annotated Anodyne N[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C1COC1 ZINC000587256148 ED Annotated Anodyne N[C@@H](c1nc2cccc(I)c2[nH]1)C1COC1 ZINC000587256204 ED Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587256292 ED Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587256305 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc12 ZINC000587256392 ED Annotated Anodyne COC(=O)c1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587256540 ED Annotated Anodyne COC(=O)c1cccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c12 ZINC000587256735 ED Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587257017 ED Annotated Mild CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587257090 ED Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587257100 ED Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587257101 ED Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587257107 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)C3COC3)[nH]c2c1 ZINC000587257123 ED Annotated Anodyne COC(=O)CC[C@H](N)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587258224 ED Annotated Anodyne COC(=O)CC[C@H](N)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587258260 ED Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587258306 ED Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587258471 ED Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587258590 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587258614 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587258864 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587258895 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587259065 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000587259281 ED Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587259283 ED Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000587259292 ED Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000587259294 ED Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c1 ZINC000587259394 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587259395 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)CCCNC(N)=O)nc2c1 ZINC000587259423 ED Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587259568 ED Annotated Bother Cc1nc2[nH]c([C@@H](N)CCCNC(N)=O)nc2cc1Br ZINC000587259655 ED Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000587259689 ED Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000587259691 ED Annotated Bother COC(=O)CC[C@H](N)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587259707 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2c(Br)ccnc2[nH]1 ZINC000587259759 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccnc(Br)c2[nH]1 ZINC000587259882 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587259893 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587259910 ED Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 ZINC000587259982 ED Annotated Bother N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c12 ZINC000587259986 ED Annotated Mild COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc12 ZINC000587259998 ED Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2c1 ZINC000587260003 ED Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000587260065 ED Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587260074 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cncc(Br)c2[nH]1 ZINC000587260089 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587260134 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587260165 ED Annotated Bother NC(=O)NCCC[C@H](N)c1nc2cc(Br)ncc2[nH]1 ZINC000587260188 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(Br)nc2[nH]1 ZINC000587260202 ED Annotated Anodyne N#Cc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1C(F)(F)F ZINC000587260205 ED Annotated Mild NC(=O)NCCC[C@H](N)c1nc2cccc(Br)c2[nH]1 ZINC000587260208 ED Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](N)CCCNC(N)=O)nc12 ZINC000587260228 ED Annotated Anodyne COC(=O)CC[C@H](N)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587260373 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587260395 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587260446 ED Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)cnc2[nH]1 ZINC000587260543 ED Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000587260640 ED Annotated Anodyne COc1cc(-c2nc3c(O)nc(O)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260680 ED Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000587260709 ED Annotated Anodyne COc1cc(-c2nc3c(O)nc(S)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260728 ED Annotated Bother COc1cc(-c2nc3c(O)nc(N)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261159 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)[C@@H]1C[N+](=O)[O-] ZINC000587261304 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)[C@H]1C[N+](=O)[O-] ZINC000587261305 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)[C@@H]1C[N+](=O)[O-] ZINC000587261306 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)[C@H]1C[N+](=O)[O-] ZINC000587261307 ED Annotated Bother Nc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1N ZINC000587261368 ED Annotated Mild Nc1ccnc2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc12 ZINC000587261371 ED Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C#N)c(C#N)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261570 ED Annotated Mild O=CC(C=O)c1ccc(-c2nc3cnnc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261572 ED Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C#N)c(C#N)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261576 ED Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C#N)c(C#N)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261578 ED Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C#N)c(C#N)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261579 ED Annotated Mild O=CC(C=O)c1ccc(-c2nc3ccnc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261583 ED Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587261628 ED Annotated Mild Cc1cc(C#Cc2nc3nc(C#N)c(C#N)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261751 ED Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(CCO)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261918 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(CCO)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261919 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(CCO)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261920 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(CCO)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261922 ED Annotated Bother COc1cc(OCc2nc3c(O)nc(S)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262109 ED Annotated Bother Cc1cc(C#Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1[N+](=O)[O-] ZINC000587262120 ED Annotated Mild Cc1cc(C#Cc2nc3ccc(C(=O)NN)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262156 ED Annotated Reactive COC(=O)c1ccnc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc12 ZINC000587262270 ED Annotated Bother COC(=O)c1ccnc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc12 ZINC000587262271 ED Annotated Bother COC(=O)c1ccnc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc12 ZINC000587262272 ED Annotated Bother COC(=O)c1ccnc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc12 ZINC000587262273 ED Annotated Bother Cc1cc(C#Cc2nc3c(O)nc(S)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262432 ED Annotated Mild O=CC(C=O)c1ccc(-c2nc3c(O)ncnc3[nH]2)cc1[N+](=O)[O-] ZINC000587262564 ED Annotated Mild Nc1nccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587262573 ED Annotated Mild COc1cc(OCc2nc3c(O)nc(O)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262584 ED Annotated Bother Nc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cn1 ZINC000587262609 ED Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262784 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262785 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262786 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262787 ED Annotated Bother COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cn1 ZINC000587263172 ED Annotated Bother COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cn1 ZINC000587263173 ED Annotated Bother COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cn1 ZINC000587263174 ED Annotated Bother COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cn1 ZINC000587263175 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)nc(S)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263238 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)nc(S)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263239 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)nc(S)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263240 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)nc(S)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263242 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCO4)[C@H]1C[N+](=O)[O-] ZINC000587263253 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCO4)[C@@H]1C[N+](=O)[O-] ZINC000587263256 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCO4)[C@@H]1C[N+](=O)[O-] ZINC000587263257 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCO4)[C@H]1C[N+](=O)[O-] ZINC000587263259 ED Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(CO)cc2[nH]1 ZINC000587263526 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@@H]1C[N+](=O)[O-] ZINC000587263629 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@@H]1C[N+](=O)[O-] ZINC000587263631 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@H]1C[N+](=O)[O-] ZINC000587263633 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@H]1C[N+](=O)[O-] ZINC000587263635 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263718 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263730 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263731 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263733 ED Annotated Bother COc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587263778 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263779 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263780 ED Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3c(O)nc(O)nc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263781 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263782 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263783 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263920 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263922 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263925 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263926 ED Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263928 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263966 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263968 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263969 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263970 ED Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587264008 ED Annotated Bother N=c1[nH]c2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc-2c(Cl)[nH]1 ZINC000587264050 ED Annotated Bother COc1nccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587264065 ED Annotated Bother COCCNc1ccc(-c2nc3cnnc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264137 ED Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587264254 ED Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587264304 ED Annotated Bother COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cn1 ZINC000587264345 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264372 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264382 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264383 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264384 ED Annotated Bother NC(=O)c1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587264604 ED Annotated Bother NC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587264632 ED Annotated Bother COCCOc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587264771 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264846 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264847 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264848 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264849 ED Annotated Bother COCCOc1ccc(-c2nc3c(N)ncnc3[nH]2)cc1[N+](=O)[O-] ZINC000587265193 ED Annotated Bother COCCNc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc1[N+](=O)[O-] ZINC000587265259 ED Annotated Bother Nc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1N ZINC000587265405 ED Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587265443 ED Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587265536 ED Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587265888 ED Annotated Bother COCCNc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587265931 ED Annotated Bother COc1cncc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587265969 ED Annotated Bother N=c1[nH]c2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc-2c(Cl)[nH]1 ZINC000587265992 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(N)=O)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587266136 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(N)=O)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587266137 ED Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(N)=O)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587266138 ED Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(N)=O)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587266140 ED Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 ZINC000587266167 ED Annotated Bother COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2n1 ZINC000587266181 ED Annotated Bother COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2n1 ZINC000587266183 ED Annotated Bother COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2n1 ZINC000587266184 ED Annotated Bother COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2n1 ZINC000587266185 ED Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587266406 ED Annotated Bother COCCNc1ccc(-c2nc3c(O)ncnc3[nH]2)cc1[N+](=O)[O-] ZINC000587266416 ED Annotated Bother COCCOc1ccc(-c2nc3ccnc(N)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266428 ED Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587266437 ED Annotated Bother COCCOc1ccc(-c2nc3cnnc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266523 ED Annotated Bother COCCOc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587266526 ED Annotated Bother COC(=O)c1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cn1 ZINC000587266789 ED Annotated Bother COC(=O)c1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cn1 ZINC000587266790 ED Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587266809 ED Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587266812 ED Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587266836 ED Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587266840 ED Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587267435 ED Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587267475 ED Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587267526 ED Annotated Reactive Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587267527 ED Annotated Reactive Nc1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] ZINC000587267606 ED Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587267706 ED Annotated Bother COC(=O)c1ccnc2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc12 ZINC000587267789 ED Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc12 ZINC000587267790 ED Annotated Bother Nc1ncc(-c2nc3nc(Br)c[nH]c-3n2)cc1[N+](=O)[O-] ZINC000587267836 ED Annotated Bother Nc1ncc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1[N+](=O)[O-] ZINC000587267963 ED Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587267974 ED Annotated Reactive COC(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2n1 ZINC000587268061 ED Annotated Bother COC(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2n1 ZINC000587268062 ED Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587268122 ED Annotated Bother COC(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1OC ZINC000587268200 ED Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000587268303 ED Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(N)=O)c2[nH]1 ZINC000587268315 ED Annotated Bother Nc1ncc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1[N+](=O)[O-] ZINC000587268426 ED Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587268464 ED Annotated Mild COC(=O)c1ccnc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc12 ZINC000587268661 ED Annotated Bother COC(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2n1 ZINC000587268677 ED Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587268699 ED Annotated Bother NS(=O)(=O)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 ZINC000587268846 ED Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587269091 ED Annotated Bother Nc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1N ZINC000587269161 ED Annotated Bother COC(=O)c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cn1 ZINC000587269176 ED Annotated Bother N=c1[nH]c2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc-2c(Cl)[nH]1 ZINC000587269408 ED Annotated Bother N#Cc1nc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2nc1C#N ZINC000587269471 ED Annotated Mild NNC(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587269608 ED Annotated Reactive NS(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587269617 ED Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587269653 ED Annotated Bother O=C1COc2cc3[nH]c(CNc4ncccc4[N+](=O)[O-])nc3cc2N1 ZINC000587269679 ED Annotated Bother NC(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 ZINC000587269798 ED Annotated Bother N=c1[nH]c2nc(COc3ccc([N+](=O)[O-])cc3C=O)nc-2c(Cl)[nH]1 ZINC000587269822 ED Annotated Bother Nc1nc(O)c2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1 ZINC000587269849 ED Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000587269860 ED Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587269891 ED Annotated Bother NS(=O)(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000587269947 ED Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587269994 ED Annotated Bother N#Cc1nc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2nc1C#N ZINC000587270001 ED Annotated Mild N=c1[nH]cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc-2[nH]1 ZINC000587270015 ED Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587270516 ED Annotated Bother NS(=O)(=O)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 ZINC000587270683 ED Annotated Bother N[C@@H](CCc1nc2cncnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587272308 ED Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 ZINC000587272959 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587273026 ED Annotated Bother COC(=O)c1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1OC ZINC000587273073 ED Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587273113 ED Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587273118 ED Annotated Bother N[C@@H](CCc1nc2ncc[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587273220 ED Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000587273291 ED Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587273320 ED Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587273321 ED Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587273500 ED Annotated Bother COC(=O)c1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cn1 ZINC000587273559 ED Annotated Bother CC(=O)OCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273569 ED Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587273606 ED Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587273609 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587273615 ED Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 ZINC000587273625 ED Annotated Bother COC(=O)c1ccnc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 ZINC000587273628 ED Annotated Bother O=C1COc2cc3[nH]c(CCCn4ccc([N+](=O)[O-])n4)nc3cc2N1 ZINC000587273630 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587273721 ED Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587273751 ED Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587273752 ED Annotated Bother COC(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2n1 ZINC000587273901 ED Annotated Bother CCOC(=O)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273920 ED Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2n1 ZINC000587274037 ED Annotated Bother COC(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2n1 ZINC000587274038 ED Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587274050 ED Annotated Reactive C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587274055 ED Annotated Reactive Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587274202 ED Annotated Bother CCOC(=O)Cc1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 ZINC000587274224 ED Annotated Bother COC(=O)c1ccnc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc12 ZINC000587274398 ED Annotated Bother COC(=O)CC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274478 ED Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cn1 ZINC000587274484 ED Annotated Bother COC(=O)c1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cn1 ZINC000587274485 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587274547 ED Annotated Bother COC(=O)c1cc2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2cc1OC ZINC000587274645 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587274648 ED Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc4nc(O)[nH]c4cc3[nH]2)n1 ZINC000587274684 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587274831 ED Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587274890 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587274900 ED Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587274924 ED Annotated Bother COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1OC ZINC000587275084 ED Annotated Bother CN(C)CCOc1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 ZINC000587275171 ED Annotated Bother C[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275275 ED Annotated Bother C[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275276 ED Annotated Bother C[C@H](c1nc2nc(Br)c[nH]c-2n1)n1cc([N+](=O)[O-])cn1 ZINC000587276075 ED Annotated Bother C[C@@H](c1nc2nc(Br)c[nH]c-2n1)n1cc([N+](=O)[O-])cn1 ZINC000587276078 ED Annotated Bother C[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276398 ED Annotated Bother C[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276399 ED Annotated Bother C[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277324 ED Annotated Bother C[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277325 ED Annotated Bother C[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1cc([N+](=O)[O-])cn1 ZINC000587277340 ED Annotated Bother C[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1cc([N+](=O)[O-])cn1 ZINC000587277341 ED Annotated Bother C[C@]1([C@H](N)NO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337523 ED Annotated Anodyne C[C@]1([C@@H](N)NO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337525 ED Annotated Anodyne C[C@]1([C@H](N)NO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337526 ED Annotated Anodyne C[C@]1([C@@H](N)NO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337528 ED Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN=CNC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587346841 ED Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN=CNC2=O)[C@H]1c1ccc(F)cc1 ZINC000587346843 ED Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN=CNC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587346844 ED Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN=CNC2=O)[C@H]1c1ccc(F)cc1 ZINC000587346846 ED Annotated Anodyne O=C1c2ccc(O)cc2OC2(C(=O)C(O)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587348683 ED Annotated Anodyne O=C1c2ccc(O)cc2OC2(C(=O)C(O)C2=O)[C@H]1c1ccc(F)cc1 ZINC000587348702 ED Annotated Anodyne O=C1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1O ZINC000587358025 ED Annotated Clean O=C1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1O ZINC000587358028 ED Annotated Clean O=C1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1O ZINC000587358032 ED Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(=O)C(=O)[C@@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587358034 ED Annotated Clean O=C1c2ccc(O)cc2O[C@](CO)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358816 ED Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358823 ED Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587358825 ED Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587358828 ED Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Br)ncc3O)nc2n1 ZINC000587366276 ED Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1F ZINC000587368000 ED Annotated Anodyne Oc1nc(O)c2ccc(CC(O)(C(F)(F)F)C(F)(F)F)nc2n1 ZINC000587368164 ED Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(F)cc1F ZINC000587368242 ED Annotated Anodyne COC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 ZINC000587368328 ED Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCc2nc3nc(O)nc(O)c3cc21 ZINC000587368404 ED Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1CCc2nc3nc(O)nc(O)c3cc21 ZINC000587368405 ED Annotated Anodyne CCOC(=O)CCc1cc2c(O)nc(O)nc2nc1C(F)(F)F ZINC000587368459 ED Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(F)c(F)c1 ZINC000587368478 ED Annotated Anodyne CN(CC(F)(F)F)[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587368511 ED Annotated Anodyne CN(CC(F)(F)F)[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587368524 ED Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(N4CCNCC4)c(F)c3)nc2n1 ZINC000587368546 ED Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1F ZINC000587368627 ED Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@@](O)(c1cccc(F)c1)C3 ZINC000587368643 ED Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@](O)(c1cccc(F)c1)C3 ZINC000587368647 ED Annotated Anodyne O=c1ccc(C(F)(F)F)cn1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368742 ED Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@H]3c1ncc2c(Cl)nccn12 ZINC000587368776 ED Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@@H]3c1ncc2c(Cl)nccn12 ZINC000587368782 ED Annotated Anodyne O=[N+]([O-])c1ccc(O)c(F)c1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368790 ED Annotated Bother C#CCNC(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587368826 ED Annotated Mild CN(C)Cc1c(O)ccc(-c2ccc3c(O)nc(O)nc3n2)c1O ZINC000587368854 ED Annotated Clean O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(Cl)cn1 ZINC000587368858 ED Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cn1 ZINC000587368885 ED Annotated Anodyne Nc1nc(C(F)(F)F)c(-c2ccc3c(O)nc(O)nc3n2)s1 ZINC000587368947 ED Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)C(F)(F)Br ZINC000587369056 ED Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1Cc2cc3c(O)nc(O)nc3nc2C1 ZINC000587369074 ED Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1Cc2cc3c(O)nc(O)nc3nc2C1 ZINC000587369075 ED Annotated Anodyne CC(C)(C)OC(=O)NCc1nc2nc(O)nc(O)c2cc1CCC=O ZINC000587369125 ED Annotated Mild Cn1c(-c2ccc3c(O)nc(O)nc3n2)ccc1C(F)(F)C(=O)O ZINC000587369253 ED Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587369270 ED Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1CCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587369271 ED Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)NCc1ccc(F)cc1 ZINC000587369331 ED Annotated Anodyne CN(CCc1cc2c(O)nc(O)nc2nc1-c1cccnc1)N=O ZINC000587369398 ED Annotated Anodyne CN(C)C(=O)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587369479 ED Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1nc2nc(O)nc(O)c2cc1CC ZINC000587369739 ED Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1nc2nc(O)nc(O)c2cc1CC ZINC000587369740 ED Annotated Anodyne Oc1nc(O)c2ccc(-c3cn(Cc4ccc(F)cc4)nn3)nc2n1 ZINC000587369772 ED Annotated Anodyne CN(C)c1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587369827 ED Annotated Anodyne O=NN(CC(=O)O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587369862 ED Annotated Anodyne CN(C)C(=O)COc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587369969 ED Annotated Anodyne CN(C)/C=C/c1[nH]c(=O)ccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587370835 ED Annotated Anodyne COC(=O)[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371980 ED Annotated Reactive COC(=O)[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371988 ED Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374334 ED Annotated Reactive COC(=O)C(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374335 ED Annotated Reactive COC(=O)C(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374336 ED Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374337 ED Annotated Reactive C=CCN1N=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](Cl)C1=O ZINC000587380394 ED Annotated Reactive C=CCN1N=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](Cl)C1=O ZINC000587380398 ED Annotated Reactive C=CCN1N=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](Cl)C1=O ZINC000587380400 ED Annotated Reactive C=CCN1N=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](Cl)C1=O ZINC000587380401 ED Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1NC(=O)C=C(C(F)(F)F)N1)O2 ZINC000587380861 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1NC(=O)C=C(C(F)(F)F)N1)O2 ZINC000587380864 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1NC(=O)C=C(C(F)(F)F)N1)O2 ZINC000587380865 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1NC(=O)C=C(C(F)(F)F)N1)O2 ZINC000587380866 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CN(C)N[C@@H]1C(F)(F)F)O2 ZINC000587383844 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CN(C)N[C@H]1C(F)(F)F)O2 ZINC000587383846 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CN(C)N[C@@H]1C(F)(F)F)O2 ZINC000587383847 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CN(C)N[C@H]1C(F)(F)F)O2 ZINC000587383848 ED Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385036 ED Annotated Anodyne CCOC(=O)[C@@H](NC(C)=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385042 ED Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385044 ED Annotated Anodyne CCOC(=O)[C@@H](NC(C)=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385047 ED Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385050 ED Annotated Anodyne CC(=O)N[C@@H](O)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385053 ED Annotated Anodyne CC(=O)N[C@@H](O)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385054 ED Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385059 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(NCC(=O)O)nc1)O2 ZINC000587385604 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(NCC(=O)O)nc1)O2 ZINC000587385607 ED Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387800 ED Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387801 ED Annotated Anodyne CCOC(=O)[C@@]1(/C(C#N)=C\N(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387802 ED Annotated Reactive CCOC(=O)[C@@]1(/C(C#N)=C/N(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387805 ED Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387806 ED Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387807 ED Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N(C)C)cc1)(C(O)O)O2 ZINC000587387808 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N(C)C)cc1)(C(O)O)O2 ZINC000587387811 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N(C)CC(=O)O)nc1)O2 ZINC000587388120 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N(C)CC(=O)O)nc1)O2 ZINC000587388121 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(N)=O)c(O)nc1C)O2 ZINC000587388770 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(N)=O)c(O)nc1C)O2 ZINC000587388773 ED Annotated Anodyne CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1[C@H](C)C(=O)O ZINC000587389440 ED Annotated Anodyne CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1[C@@H](C)C(=O)O ZINC000587389456 ED Annotated Anodyne CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1[C@@H](C)C(=O)O ZINC000587389458 ED Annotated Anodyne CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1[C@H](C)C(=O)O ZINC000587389459 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1c(C)nn(C)c1C)O2 ZINC000587389726 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1c(C)nn(C)c1C)O2 ZINC000587389727 ED Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nn1 ZINC000587390286 ED Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nn1 ZINC000587390291 ED Annotated Anodyne CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1CC(=O)O ZINC000587390463 ED Annotated Anodyne CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1CC(=O)O ZINC000587390694 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(N)=O)(c1c(C)nn(C)c1C)O2 ZINC000587390821 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(N)=O)(c1c(C)nn(C)c1C)O2 ZINC000587390836 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)(C(O)O)O2 ZINC000587390956 ED Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)(C(O)O)O2 ZINC000587390957 ED Annotated Bother CCOC(=O)c1cn(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nn1 ZINC000587391110 ED Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nn1 ZINC000587391114 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(c(C(=O)O)nn3C)C1)O2 ZINC000587391228 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(c(C(=O)O)nn3C)C1)O2 ZINC000587391231 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1nccn1C)(c1nccn1C)O2 ZINC000587391255 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCn1cnc([N+](=O)[O-])n1)O2 ZINC000587391363 ED Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCn1cnc([N+](=O)[O-])n1)O2 ZINC000587391364 ED Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)ON1C(=O)CCC1=O)O2 ZINC000587391507 ED Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)ON1C(=O)CCC1=O)O2 ZINC000587391509 ED Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@]1(CC(N)=O)C(=O)O)O2 ZINC000587391567 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@]1(CC(N)=O)C(=O)O)O2 ZINC000587391572 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@]1(CC(N)=O)C(=O)O)O2 ZINC000587391574 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@]1(CC(N)=O)C(=O)O)O2 ZINC000587391576 ED Annotated Anodyne CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1CCC(=O)O ZINC000587391999 ED Annotated Anodyne CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1CCC(=O)O ZINC000587392002 ED Annotated Anodyne CCOC(=O)[C@@]1(c2nccn2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392112 ED Annotated Anodyne CCOC(=O)[C@]1(c2nccn2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392123 ED Annotated Anodyne COC(=O)C[C@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392368 ED Annotated Anodyne COC(=O)C[C@@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392370 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC(CN3CCCC3)=CC1=O)O2 ZINC000587392459 ED Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC(CN3CCCC3)=CC1=O)O2 ZINC000587392460 ED Annotated Mild CCOC(=O)[C@H]1CN(C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392473 ED Annotated Anodyne CCOC(=O)[C@H]1CN(C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392478 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392480 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392482 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392816 ED Annotated Anodyne CCOC(=O)[C@H]1CN(CC)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392823 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392824 ED Annotated Anodyne CCOC(=O)[C@H]1CN(CC)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392826 ED Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393064 ED Annotated Anodyne CCOC(=O)[C@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393066 ED Annotated Anodyne CCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C(=O)OC)C1 ZINC000587393124 ED Annotated Anodyne CCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C(=O)OC)C1 ZINC000587393126 ED Annotated Anodyne CCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C(=O)OC)C1 ZINC000587393128 ED Annotated Anodyne CCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C(=O)OC)C1 ZINC000587393131 ED Annotated Anodyne COC(=O)Cn1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nn1 ZINC000587393199 ED Annotated Anodyne COC(=O)C[C@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393202 ED Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nn1 ZINC000587393203 ED Annotated Anodyne COC(=O)C[C@@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393211 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3c(C(N)=O)cnn3c1)O2 ZINC000587394178 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(C(N)=O)cnn3c1)O2 ZINC000587394183 ED Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13CC(=O)c1cc(C)cc(N)c1O3)C2 ZINC000587394380 ED Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13CC(=O)c1cc(C)cc(N)c1O3)C2 ZINC000587394381 ED Annotated Anodyne COC(=O)[C@H]1N2CCC(CC2)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394878 ED Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394881 ED Annotated Anodyne COC(=O)[C@H]1N2CCC(CC2)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394883 ED Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394885 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]1C4)O2 ZINC000587395061 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]1C4)O2 ZINC000587395069 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CN3CCCC3)OCC1=O)O2 ZINC000587395145 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CN3CCCC3)OCC1=O)O2 ZINC000587395148 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N3CCCC3=C1C(=O)O)O2 ZINC000587395316 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N3CCCC3=C1C(=O)O)O2 ZINC000587395319 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(CC(=O)NCC#N)CC1)O2 ZINC000587395511 ED Annotated Mild Cc1cc(N)c2c(c1)C(=O)CC1(O2)C2(C)CN3CCN(C2)CC1(C)C3 ZINC000587396183 ED Annotated Anodyne CCOC(=O)c1[nH]c(O)nc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396381 ED Annotated Anodyne CCOC(=O)c1[nH]c(O)nc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396382 ED Annotated Anodyne COC(=O)CCN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397312 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CC1)NC(=O)NC3=O)O2 ZINC000587398026 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN[C@H](C(=O)O)[C@H]3C1)O2 ZINC000587398127 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C1)O2 ZINC000587398128 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN[C@H](C(=O)O)[C@@H]3C1)O2 ZINC000587398129 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN[C@@H](C(=O)O)[C@H]3C1)O2 ZINC000587398130 ED Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OC ZINC000587398248 ED Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OC ZINC000587398251 ED Annotated Anodyne COC(=O)[C@H]1CC2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1C(=O)OC ZINC000587398253 ED Annotated Anodyne COC(=O)[C@@H]1CC2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OC ZINC000587398255 ED Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398419 ED Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398422 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](CN[C@H]3C(=O)O)C1)O2 ZINC000587398500 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C1)O2 ZINC000587398501 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](CN[C@@H]3C(=O)O)C1)O2 ZINC000587398502 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C1)O2 ZINC000587398503 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3[C@@H](C(=O)O)NC[C@H]31)O2 ZINC000587398504 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3[C@H](C(=O)O)NC[C@@H]31)O2 ZINC000587398505 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3[C@@H](C(=O)O)NC[C@@H]31)O2 ZINC000587398506 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]3[C@H]1CN[C@H]3C(=O)O)O2 ZINC000587398507 ED Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399336 ED Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399341 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCOCC3)nc1)O2 ZINC000587399619 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCOCC3)nc1)O2 ZINC000587399620 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3CN[C@@H](C(=O)O)[C@H]31)O2 ZINC000587400386 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3CN[C@H](C(=O)O)[C@H]31)O2 ZINC000587400660 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3CN[C@H](C(=O)O)[C@@H]31)O2 ZINC000587400663 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3CN[C@@H](C(=O)O)[C@@H]31)O2 ZINC000587400666 ED Annotated Anodyne COC(=O)C[C@@H](C(=O)OC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400893 ED Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400895 ED Annotated Anodyne COC(=O)C[C@@H](C(=O)OC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400897 ED Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400900 ED Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400966 ED Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400975 ED Annotated Anodyne COc1cccc([C@@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401426 ED Annotated Anodyne COc1cccc([C@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401434 ED Annotated Anodyne COc1ccc([C@@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402416 ED Annotated Anodyne COc1ccc([C@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402417 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)C(=O)[C@H]1O ZINC000587402990 ED Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)C(=O)[C@@H]1O ZINC000587402998 ED Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)C(=O)[C@@H]1O ZINC000587403001 ED Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)C(=O)[C@H]1O ZINC000587403003 ED Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](O)C(=O)c2ccccc21 ZINC000587404888 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](O)C(=O)c2ccccc21 ZINC000587404891 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](O)C(=O)c2ccccc21 ZINC000587404895 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](O)C(=O)c2ccccc21 ZINC000587404898 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C[C@H]1[C@H](C(=O)O)[C@@H]3C(=O)O)O2 ZINC000587405279 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C[C@H]1[C@H](C(=O)O)[C@H]3C(=O)O)O2 ZINC000587405282 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C[C@H]1[C@@H](C(=O)O)[C@H]3C(=O)O)O2 ZINC000587405285 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C[C@H]1[C@@H](C(=O)O)[C@@H]3C(=O)O)O2 ZINC000587405288 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccccn1)O2 ZINC000587406953 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccccn1)O2 ZINC000587406954 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](C(=O)O)[C@H](C(=O)O)C1)O2 ZINC000587408141 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C(=O)O)[C@H](C(=O)O)C1)O2 ZINC000587408146 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)(C(O)O)O2 ZINC000587409081 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)(C(O)O)O2 ZINC000587409083 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCNS(=O)(=O)C1CC1)O2 ZINC000587410052 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCNS(=O)(=O)C1CC1)O2 ZINC000587410061 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1cccnc1)O2 ZINC000587410537 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1cccnc1)O2 ZINC000587410538 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(N)(=O)=O)cc1)O2 ZINC000587410672 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(N)(=O)=O)cc1)O2 ZINC000587410673 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(N)(=O)=O)c1)O2 ZINC000587411177 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(N)(=O)=O)c1)O2 ZINC000587411179 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(=O)(=O)N(C)C)(C(C)C)O2 ZINC000587411209 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(=O)(=O)N(C)C)(C(C)C)O2 ZINC000587411221 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(C(=O)O)[C@@H](C2)C3=O ZINC000587413217 ED Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(C(=O)O)[C@@H](C2)C3=O ZINC000587413218 ED Annotated Reactive COC(=O)[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413982 ED Annotated Reactive COC(=O)[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413992 ED Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1C(=O)OC(C)(C)OC1=O)O2 ZINC000587415070 ED Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1C(=O)OC(C)(C)OC1=O)O2 ZINC000587415071 ED Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415135 ED Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415136 ED Annotated Anodyne COC(=O)C(=O)[C@@H](Cl)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417203 ED Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417208 ED Annotated Reactive COC(=O)C(=O)[C@@H](Cl)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417210 ED Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417211 ED Annotated Reactive COc1cc2c3c(c1)OC1(CN(C(=O)C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587420706 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CN(C)N[C@@H]1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422550 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CN(C)N[C@H]1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422568 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CN(C)N[C@@H]1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422569 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CN(C)N[C@H]1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422570 ED Annotated Anodyne CCN1N=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](Cl)C1=O ZINC000587423371 ED Annotated Reactive CCN1N=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](Cl)C1=O ZINC000587423382 ED Annotated Reactive CCN1N=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](Cl)C1=O ZINC000587423383 ED Annotated Reactive CCN1N=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](Cl)C1=O ZINC000587423384 ED Annotated Reactive C=CCN1N=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](Cl)C1=O ZINC000587423714 ED Annotated Reactive C=CCN1N=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](Cl)C1=O ZINC000587423717 ED Annotated Reactive C=CCN1N=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](Cl)C1=O ZINC000587423720 ED Annotated Reactive C=CCN1N=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](Cl)C1=O ZINC000587423723 ED Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)(C(O)O)[C@@H](C2)C3=O ZINC000587425706 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)(C(O)O)[C@@H](C2)C3=O ZINC000587425711 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587426585 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587426587 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(C(OC)OC)[C@@H](C2)C3=O ZINC000587426832 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(C(OC)OC)[C@@H](C2)C3=O ZINC000587426836 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(C(OC)OC)[C@@H](C2)C3=O ZINC000587426837 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(C(OC)OC)[C@@H](C2)C3=O ZINC000587426839 ED Annotated Anodyne CCOC(=O)[C@@H](NC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428856 ED Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428857 ED Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428858 ED Annotated Anodyne CCOC(=O)[C@@H](NC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428859 ED Annotated Anodyne CCOC(=O)[C@@]1(/C=C/N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429565 ED Annotated Anodyne CCOC(=O)[C@]1(/C=C/N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429566 ED Annotated Anodyne COC(=O)CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587429668 ED Annotated Anodyne COC(=O)CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587429677 ED Annotated Anodyne CCn1cc([C@]2(C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587429752 ED Annotated Anodyne CCn1cc([C@@]2(C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587429758 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(NCC(=O)O)nc1)[C@@H](C2)C3=O ZINC000587430085 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(NCC(=O)O)nc1)[C@@H](C2)C3=O ZINC000587430086 ED Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430435 ED Annotated Anodyne CCOC(=O)[C@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430436 ED Annotated Anodyne CNC[C@]1(c2ccc(O)c(O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430513 ED Annotated Clean CNC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430514 ED Annotated Clean COC(=O)/C(=C\N(C)C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430584 ED Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430586 ED Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430587 ED Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430588 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587430719 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587430721 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430722 ED Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430731 ED Annotated Bother CCOC(=O)/C(=C\N(C)C)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431076 ED Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431078 ED Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431080 ED Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431082 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(CCO)c1C)[C@@H](C2)C3=O ZINC000587431157 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(CCO)c1C)[C@@H](C2)C3=O ZINC000587431162 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(N)=O)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587431193 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C(N)=O)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587431222 ED Annotated Anodyne CCOC(=O)[C@@]1(c2nccn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431396 ED Annotated Anodyne CCOC(=O)[C@]1(c2nccn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431399 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCn1cnc([N+](=O)[O-])n1)[C@@H](C2)C3=O ZINC000587431486 ED Annotated Bother COc1cc2c3c(c1)O[C@@](C)(CCn1cnc([N+](=O)[O-])n1)[C@@H](C2)C3=O ZINC000587431491 ED Annotated Bother COc1cc2c3c(c1)O[C@@H](CNC(=O)C1CCOCC1)[C@@H](C2)C3=O ZINC000587431863 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](CNC(=O)C1CCOCC1)[C@@H](C2)C3=O ZINC000587431864 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cc(C)on1)[C@@H](C2)C3=O ZINC000587431865 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cc(C)on1)[C@@H](C2)C3=O ZINC000587431870 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])nn1C)[C@@H](C2)C3=O ZINC000587431965 ED Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])nn1C)[C@@H](C2)C3=O ZINC000587431966 ED Annotated Bother COc1cc2c3c(c1)O[C@@](C)(Cn1cnc([N+](=O)[O-])n1)[C@@H](C2)C3=O ZINC000587432237 ED Annotated Bother COc1cc2c3c(c1)O[C@](C)(Cn1cnc([N+](=O)[O-])n1)[C@@H](C2)C3=O ZINC000587432242 ED Annotated Bother COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cnn(C)c1)[C@@H](C2)C3=O ZINC000587432537 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cnn(C)c1)[C@@H](C2)C3=O ZINC000587432538 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C(N)=O)n(C)c1)[C@@H](C2)C3=O ZINC000587432814 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C(N)=O)n(C)c1)[C@@H](C2)C3=O ZINC000587432832 ED Annotated Anodyne CCOC(=O)Cn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587432934 ED Annotated Anodyne CCOC(=O)Cn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587432940 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(CCOC(C)=O)c1)[C@@H](C2)C3=O ZINC000587433385 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(CCOC(C)=O)c1)[C@@H](C2)C3=O ZINC000587433386 ED Annotated Anodyne COC(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433447 ED Annotated Anodyne COC(=O)C[C@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433448 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c([N+](=O)[O-])cnn1C)[C@@H](C2)C3=O ZINC000587434480 ED Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1c([N+](=O)[O-])cnn1C)[C@@H](C2)C3=O ZINC000587434481 ED Annotated Bother CCOC(=O)[C@@H]1CN(C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434583 ED Annotated Anodyne CCOC(=O)[C@H]1CN(C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434584 ED Annotated Anodyne CCOC(=O)[C@H]1CN(C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434585 ED Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434586 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(C(=O)O)cn1)[C@@H](C2)C3=O ZINC000587434742 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(C(=O)O)cn1)[C@@H](C2)C3=O ZINC000587434743 ED Annotated Anodyne COC(=O)c1cnc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587434858 ED Annotated Anodyne COC(=O)c1cnc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587434863 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(OC)nc1OC)[C@@H](C2)C3=O ZINC000587434923 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(OC)nc1OC)[C@@H](C2)C3=O ZINC000587434928 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(OC)cc(OC)n1)[C@@H](C2)C3=O ZINC000587434996 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(OC)cc(OC)n1)[C@@H](C2)C3=O ZINC000587434998 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)N(CC(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587435040 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)N(CC(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587435042 ED Annotated Anodyne CCN1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C(=O)OC)C1 ZINC000587435367 ED Annotated Anodyne CCN1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C(=O)OC)C1 ZINC000587435369 ED Annotated Anodyne CCN1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C(=O)OC)C1 ZINC000587435370 ED Annotated Anodyne CCN1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C(=O)OC)C1 ZINC000587435371 ED Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(CC(=O)N(C)C)CC1)[C@@H](C2)C3=O ZINC000587435621 ED Annotated Anodyne COC(=O)C[C@@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435724 ED Annotated Anodyne COC(=O)C[C@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435725 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)ncnc1OC)[C@@H](C2)C3=O ZINC000587436815 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)ncnc1OC)[C@@H](C2)C3=O ZINC000587436817 ED Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437187 ED Annotated Anodyne COC(=O)[C@H]1N2CCC(CC2)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437188 ED Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437189 ED Annotated Anodyne COC(=O)[C@H]1N2CCC(CC2)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437190 ED Annotated Anodyne C=C1C=C(C)N2NC([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)=NC2=N1 ZINC000587437311 ED Annotated Anodyne C=C1C=C(C)N2NC([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)=NC2=N1 ZINC000587437312 ED Annotated Anodyne COC(=O)CCN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437585 ED Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437963 ED Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CCN1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437965 ED Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437966 ED Annotated Anodyne COC(=O)[C@H]1C[C@]2(CCN1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437967 ED Annotated Anodyne COc1cc2c3c(c1)OC1(CCC4(CC1)NC(=O)NC4=O)[C@@H](C2)C3=O ZINC000587438117 ED Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nn1 ZINC000587438200 ED Annotated Anodyne COC(=O)Cn1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nn1 ZINC000587438205 ED Annotated Anodyne COC(=O)CN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438216 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H](C(=O)O)NC[C@@H]4C1)[C@@H](C2)C3=O ZINC000587438226 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@@H](CN[C@H]4C(=O)O)C1)[C@@H](C2)C3=O ZINC000587438228 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@H](CN[C@H]4C(=O)O)C1)[C@@H](C2)C3=O ZINC000587438229 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@@H](CN[C@@H]4C(=O)O)C1)[C@@H](C2)C3=O ZINC000587438231 ED Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438579 ED Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438580 ED Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C(=O)N(C)C)CC1)[C@@H](C2)C3=O ZINC000587438669 ED Annotated Anodyne CCOC(=O)c1[nH]c(O)nc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439028 ED Annotated Anodyne CCOC(=O)c1[nH]c(O)nc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439031 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN4[C@@H]5C[C@H](O)C[C@H]4C[C@@H]1C5)[C@@H](C2)C3=O ZINC000587439433 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN4[C@@H]5C[C@H](O)C[C@H]4C[C@@H]1C5)[C@@H](C2)C3=O ZINC000587439442 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1nc[nH]n1)[C@@H](C2)C3=O ZINC000587439546 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccnc1)(c1nc[nH]n1)[C@@H](C2)C3=O ZINC000587439549 ED Annotated Anodyne COCCN1C(=O)C[C@@]2(C=C1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439907 ED Annotated Anodyne COCCN1C(=O)C[C@]2(C=C1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439909 ED Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440136 ED Annotated Anodyne CCOC(=O)[C@H]1CNCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440137 ED Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440139 ED Annotated Anodyne CCOC(=O)[C@H]1CNCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440141 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(n1)NC(=O)CO4)[C@@H](C2)C3=O ZINC000587440156 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(n1)NC(=O)CO4)[C@@H](C2)C3=O ZINC000587440157 ED Annotated Anodyne COC(=O)[C@@H]1CC(OC)=C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440226 ED Annotated Anodyne COC(=O)[C@H]1CC(OC)=C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440227 ED Annotated Anodyne COC(=O)[C@@H]1CC(OC)=C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440228 ED Annotated Anodyne COC(=O)[C@H]1CC(OC)=C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440229 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN[C@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587440531 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN[C@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587440533 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN[C@@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587440536 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN[C@@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587440537 ED Annotated Anodyne COC1=CC2(C=C(OC)C1=O)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440545 ED Annotated Mild COc1cc2c3c(c1)O[C@]1(CCC[C@H]4[C@H]1CN[C@H]4C(=O)O)[C@@H](C2)C3=O ZINC000587440557 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4[C@H](C(=O)O)NC[C@@H]41)[C@@H](C2)C3=O ZINC000587440558 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4[C@@H](C(=O)O)NC[C@H]41)[C@@H](C2)C3=O ZINC000587440559 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4[C@@H](C(=O)O)NC[C@@H]41)[C@@H](C2)C3=O ZINC000587440560 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN[C@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587440572 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN[C@@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587440596 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN[C@@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587440597 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CN[C@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587440598 ED Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440699 ED Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440715 ED Annotated Anodyne CCOC(=O)C1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441433 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@H](C(=O)O)NC[C@@H]41)[C@@H](C2)C3=O ZINC000587441445 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@@H](C(=O)O)NC[C@@H]41)[C@@H](C2)C3=O ZINC000587441446 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@H]1CN[C@H]4C(=O)O)[C@@H](C2)C3=O ZINC000587441448 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@@H](C(=O)O)NC[C@H]41)[C@@H](C2)C3=O ZINC000587441450 ED Annotated Anodyne COc1cc2c3c(c1)OC(COC(C)=O)(COC(C)=O)[C@@H](C2)C3=O ZINC000587441915 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1NC(=O)c4ccccc4N1)[C@@H](C2)C3=O ZINC000587441951 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1NC(=O)c4ccccc4N1)[C@@H](C2)C3=O ZINC000587441952 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1NC(=O)c4ccccc4N1)[C@@H](C2)C3=O ZINC000587441953 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1NC(=O)c4ccccc4N1)[C@@H](C2)C3=O ZINC000587441954 ED Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442354 ED Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442361 ED Annotated Anodyne COc1ccc([C@@]2(C(O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442663 ED Annotated Anodyne COc1ccc([C@]2(C(O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442666 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4CN[C@@H](C(=O)O)[C@H]41)[C@@H](C2)C3=O ZINC000587442821 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4CN[C@H](C(=O)O)[C@@H]41)[C@@H](C2)C3=O ZINC000587442823 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4CN[C@@H](C(=O)O)[C@@H]41)[C@@H](C2)C3=O ZINC000587442826 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4CN[C@H](C(=O)O)[C@H]41)[C@@H](C2)C3=O ZINC000587442836 ED Annotated Anodyne CCOC(=O)CC[C@]1([C@@H](C)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443056 ED Annotated Anodyne CCOC(=O)CC[C@]1([C@H](C)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443070 ED Annotated Anodyne CCOC(=O)CC[C@@]1([C@H](C)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443072 ED Annotated Anodyne CCOC(=O)CC[C@@]1([C@@H](C)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443075 ED Annotated Anodyne COC(=O)C(=O)C[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443245 ED Annotated Anodyne COC(=O)C(=O)C[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443246 ED Annotated Anodyne COC(=O)CC1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443342 ED Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443605 ED Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443608 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCN1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587443934 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCN1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587443935 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)N1CCOCC1)[C@@H](C2)C3=O ZINC000587444445 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)N1CCOCC1)[C@@H](C2)C3=O ZINC000587444446 ED Annotated Anodyne COC1=CC(=O)C=C(OC)C12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444528 ED Annotated Mild COC1=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(OC)=CC1=O ZINC000587444584 ED Annotated Mild COC1=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(OC)=CC1=O ZINC000587444587 ED Annotated Mild COc1cccc([C@@]2(C(O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444904 ED Annotated Anodyne COc1cccc([C@]2(C(O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444905 ED Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445095 ED Annotated Anodyne COC(=O)C[C@@H](C(=O)OC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445097 ED Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445099 ED Annotated Anodyne COC(=O)C[C@@H](C(=O)OC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445100 ED Annotated Anodyne COC(=O)C(=O)[C@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587445217 ED Annotated Anodyne COC(=O)C(=O)[C@@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587445220 ED Annotated Anodyne COC(=O)C(=O)[C@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587445223 ED Annotated Anodyne COC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587445227 ED Annotated Anodyne COc1cc2c3c(c1)OC(CCC(=O)O)(CCC(=O)O)[C@@H](C2)C3=O ZINC000587447239 ED Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@H](C(=O)O)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587448883 ED Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@@H](C(=O)O)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587448884 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](C(=O)O)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587449151 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587449325 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587449327 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)([C@H](C)/C=C/C(=O)O)[C@@H](C2)C3=O ZINC000587449391 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)([C@@H](C)/C=C/C(=O)O)[C@@H](C2)C3=O ZINC000587449404 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)([C@H](C)/C=C/C(=O)O)[C@@H](C2)C3=O ZINC000587449407 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)([C@@H](C)/C=C/C(=O)O)[C@@H](C2)C3=O ZINC000587449409 ED Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4COC[C@H]1CC(C(=O)O)C4)[C@@H](C2)C3=O ZINC000587450076 ED Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(S(C)(=O)=O)CC1)[C@@H](C2)C3=O ZINC000587450313 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)nc1)[C@@H](C2)C3=O ZINC000587450359 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)nc1)[C@@H](C2)C3=O ZINC000587450361 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1csc(N)n1)[C@@H](C2)C3=O ZINC000587451414 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1csc(N)n1)[C@@H](C2)C3=O ZINC000587451422 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587451485 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587451489 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCCNS(C)(=O)=O)[C@@H](C2)C3=O ZINC000587451768 ED Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCCNS(C)(=O)=O)[C@@H](C2)C3=O ZINC000587451775 ED Annotated Anodyne CCOC(=O)[C@@H]1COCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452148 ED Annotated Anodyne CCOC(=O)[C@H]1COCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452492 ED Annotated Anodyne CCOC(=O)[C@@H]1COCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452493 ED Annotated Anodyne CCOC(=O)[C@H]1COCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452494 ED Annotated Anodyne CCOC(=O)[C@@H]1CCOC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452830 ED Annotated Anodyne CCOC(=O)[C@H]1CCOC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452833 ED Annotated Anodyne CCOC(=O)[C@@H]1CCOC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452836 ED Annotated Anodyne CCOC(=O)[C@H]1CCOC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587452838 ED Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587453028 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H](C(=O)O)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587453035 ED Annotated Anodyne CN=c1nc(C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]s1 ZINC000587453700 ED Annotated Anodyne CN=c1nc(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]s1 ZINC000587453704 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587453727 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587453731 ED Annotated Anodyne COC1=COC(C(=O)O)=C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587455171 ED Annotated Anodyne COC1=COC(C(=O)O)=C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587455172 ED Annotated Anodyne COC(=O)[C@@]1(C)COCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587455546 ED Annotated Anodyne COC(=O)[C@]1(C)COCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587455547 ED Annotated Anodyne COC(=O)[C@@]1(C)COCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587455548 ED Annotated Anodyne COC(=O)[C@]1(C)COCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587455549 ED Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C1C(=O)OC(C)(C)OC1=O)[C@@H](C2)C3=O ZINC000587456216 ED Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C1C(=O)OC(C)(C)OC1=O)[C@@H](C2)C3=O ZINC000587456217 ED Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CO1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587456226 ED Annotated Anodyne CCOC(=O)[C@H]1CC[C@]2(CO1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587456327 ED Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CO1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587456328 ED Annotated Anodyne CCOC(=O)[C@H]1CC[C@@]2(CO1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587456329 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NCC(=O)O)CC2=O ZINC000587471571 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NCC(=O)O)CC2=O ZINC000587471572 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N)nc(O)nc1O)CC2=O ZINC000587472985 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N)nc(O)nc1O)CC2=O ZINC000587472987 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)CC2=O ZINC000587473403 ED Annotated Clean CCCc1c(O)ccc2c1O[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)CC2=O ZINC000587473404 ED Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)COCC1=O)CC2=O ZINC000587474495 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)COCC1=O)CC2=O ZINC000587474497 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(CN)N(C)CC1=O)CC2=O ZINC000587475155 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(CN)N(C)CC1=O)CC2=O ZINC000587475158 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C)C(CN)=CC1=O ZINC000587477345 ED Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C)C(CN)=CC1=O ZINC000587477349 ED Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCN[C@H](C(=O)OC)C1)CC2=O ZINC000587478251 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN[C@H](C(=O)OC)C1)CC2=O ZINC000587478286 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)O)nn1)CC2=O ZINC000587480797 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)O)nn1)CC2=O ZINC000587480806 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNC[C@@H]1C(=O)OC)CC2=O ZINC000587483844 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNC[C@@H]1C(=O)OC)CC2=O ZINC000587483849 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNC[C@H]1C(=O)OC)CC2=O ZINC000587483850 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNC[C@H]1C(=O)OC)CC2=O ZINC000587483854 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN[C@@H](C(=O)O)[C@@H]21 ZINC000587485821 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN[C@@H](C(=O)O)[C@H]21 ZINC000587485825 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN[C@H](C(=O)O)[C@H]21 ZINC000587485827 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN[C@H](C(=O)O)[C@@H]21 ZINC000587485828 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)COP(=O)(O)O)CC2=O ZINC000587485979 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)COP(=O)(O)O)CC2=O ZINC000587486002 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)COP(=O)(O)O)CC2=O ZINC000587486005 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)COP(=O)(O)O)CC2=O ZINC000587486008 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(COC(C(=O)O)=CC1=O)CC2=O ZINC000587486350 ED Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(COC(C(=O)O)=CC1=O)CC2=O ZINC000587486363 ED Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)OCC1=O)CC2=O ZINC000587494695 ED Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)OCC1=O)CC2=O ZINC000587494696 ED Annotated Anodyne [N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507939 ED Annotated Clean [N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507942 ED Annotated Clean C[C@]1(CC(=O)NCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511777 ED Annotated Anodyne C[C@@]1(CC(=O)NCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511778 ED Annotated Anodyne CN1CC(=O)[C@]2(C=C1CN)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516227 ED Annotated Anodyne CN1CC(=O)[C@@]2(C=C1CN)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516228 ED Annotated Anodyne O=C(O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587517081 ED Annotated Anodyne O=C(O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587517082 ED Annotated Anodyne CN1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C=C1CN ZINC000587517541 ED Annotated Mild CN1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C=C1CN ZINC000587517542 ED Annotated Mild C[C@@]1(CN2C(=O)COCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517556 ED Annotated Anodyne C[C@]1(CN2C(=O)COCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517557 ED Annotated Anodyne O=C1C[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524079 ED Annotated Anodyne O=C1C[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524086 ED Annotated Anodyne O=C1C[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524089 ED Annotated Anodyne O=C1C[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524092 ED Annotated Anodyne O=C1C[C@@H]([C@@H](O)COP(=O)(O)O)Oc2c1ccc1c2CCCC1 ZINC000587530251 ED Annotated Anodyne O=C1C[C@@H]([C@H](O)COP(=O)(O)O)Oc2c1ccc1c2CCCC1 ZINC000587530257 ED Annotated Anodyne O=C1C[C@H]([C@@H](O)COP(=O)(O)O)Oc2c1ccc1c2CCCC1 ZINC000587530259 ED Annotated Anodyne O=C1C[C@H]([C@H](O)COP(=O)(O)O)Oc2c1ccc1c2CCCC1 ZINC000587530260 ED Annotated Anodyne O=C1C[C@]2(C=C(CO)O[C@H](CO)C2=O)Oc2c1ccc1c2CCCC1 ZINC000587536189 ED Annotated Anodyne O=C1C[C@]2(C=C(CO)O[C@@H](CO)C2=O)Oc2c1ccc1c2CCCC1 ZINC000587536190 ED Annotated Anodyne O=C1C[C@@]2(C=C(CO)O[C@@H](CO)C2=O)Oc2c1ccc1c2CCCC1 ZINC000587536191 ED Annotated Anodyne O=C1C[C@@]2(C=C(CO)O[C@H](CO)C2=O)Oc2c1ccc1c2CCCC1 ZINC000587536192 ED Annotated Anodyne O=C(O)C1=CC(=O)[C@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536554 ED Annotated Mild O=C(O)C1=CC(=O)[C@@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536561 ED Annotated Mild O=C(O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)CO1 ZINC000587536808 ED Annotated Anodyne O=C(O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)CO1 ZINC000587536809 ED Annotated Anodyne NC(=O)c1ccccc1OCCCc1ccc2c(O)nc(O)nc2n1 ZINC000587552608 ED Annotated Anodyne CC(C)(C)OC(=O)NC[C@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587552630 ED Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587552631 ED Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc2nc(O)nc(O)c2cc1CC=O ZINC000587553050 ED Annotated Mild C[C@@H]1c2cc3c(O)nc(O)nc3nc2[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587553066 ED Annotated Bother C[C@@H]1c2cc3c(O)nc(O)nc3nc2[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587553082 ED Annotated Bother C[C@@H]1c2cc3c(O)nc(O)nc3nc2[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587553083 ED Annotated Bother C[C@H]1c2cc3c(O)nc(O)nc3nc2[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587553084 ED Annotated Bother C[C@@H]1c2cc3c(O)nc(O)nc3nc2[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587553085 ED Annotated Bother COc1ccc(Cc2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])c1 ZINC000587553219 ED Annotated Bother Cc1c(-c2ccc3c(O)nc(O)nc3n2)cnc2c(C(=O)O)cnn12 ZINC000587553239 ED Annotated Anodyne C[C@@H](Oc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)C(=O)O ZINC000587553514 ED Annotated Anodyne C[C@H](Oc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)C(=O)O ZINC000587553519 ED Annotated Anodyne COC(=O)COc1ccccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587553528 ED Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(OCC(=O)O)cc1 ZINC000587553629 ED Annotated Anodyne O=CNc1ccccc1-c1nc2nc(O)nc(O)c2cc1CC(=O)O ZINC000587553778 ED Annotated Anodyne COc1cc(-c2ccc3c(O)nc(O)nc3n2)cc([N+](=O)[O-])c1O ZINC000587553927 ED Annotated Bother COc1ccc2c(c1[N+](=O)[O-])-c1nc3nc(O)nc(O)c3cc1C2 ZINC000587553963 ED Annotated Bother O=N[C@@H](C(=O)Nc1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587553980 ED Annotated Anodyne O=N[C@H](C(=O)Nc1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587554003 ED Annotated Anodyne COC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1N ZINC000587554061 ED Annotated Anodyne O=C(O)COc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587554210 ED Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cnc2nc(O)nc(O)c2c1 ZINC000587554516 ED Annotated Anodyne C[C@@H](Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(=O)O ZINC000587554552 ED Annotated Anodyne C[C@H](Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(=O)O ZINC000587554553 ED Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587554573 ED Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587554581 ED Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)[nH]c2cc(O)nc(O)c12 ZINC000587554598 ED Annotated Clean O=[N+]([O-])c1ccn([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)n1 ZINC000587554616 ED Annotated Bother O=[N+]([O-])c1ccn([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)n1 ZINC000587554621 ED Annotated Bother O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1cccc([N+](=O)[O-])c1 ZINC000587554635 ED Annotated Bother CCOC(=O)c1c(N)oc(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587554654 ED Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1CCOc1ccccc1C(N)=O ZINC000587554678 ED Annotated Anodyne C/C=C/C/C=C\Cc1cc2c(O)nc(O)nc2nc1[C@@H]1O[C@@H]1C(N)=O ZINC000587555102 ED Annotated Anodyne C/C=C\C/C=C\Cc1cc2c(O)nc(O)nc2nc1[C@@H]1O[C@@H]1C(N)=O ZINC000587555104 ED Annotated Anodyne C/C=C/C/C=C/Cc1cc2c(O)nc(O)nc2nc1[C@@H]1O[C@@H]1C(N)=O ZINC000587555105 ED Annotated Anodyne C/C=C\C/C=C/Cc1cc2c(O)nc(O)nc2nc1[C@@H]1O[C@@H]1C(N)=O ZINC000587555106 ED Annotated Anodyne O=[N+]([O-])c1cc2c(cc1-c1ccc3c(O)nc(O)nc3n1)OCO2 ZINC000587555284 ED Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587555574 ED Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587555576 ED Annotated Anodyne Nc1ncc2c(n1)C[C@@H](c1ccco1)c1cc3c(O)nc(O)nc3nc1-2 ZINC000587555633 ED Annotated Anodyne Nc1ncc2c(n1)C[C@H](c1ccco1)c1cc3c(O)nc(O)nc3nc1-2 ZINC000587555636 ED Annotated Anodyne COC(=O)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587555660 ED Annotated Anodyne COc1ccccc1CNC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587555787 ED Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000587555840 ED Annotated Bother O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc2c(c1)OCO2 ZINC000587556116 ED Annotated Anodyne O=C(O)c1cc2c(nc1O)CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587556128 ED Annotated Anodyne O=C(O)COc1ccccc1OCc1ccc2c(O)nc(O)nc2n1 ZINC000587556169 ED Annotated Anodyne COc1ccccc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587556190 ED Annotated Anodyne CCOC(=O)CCc1cc2c(O)nc(O)nc2nc1-c1ccccn1 ZINC000587556197 ED Annotated Anodyne O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)cc([N+](=O)[O-])c1 ZINC000587556218 ED Annotated Bother CCOC(=O)[C@H](c1cccnc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587556245 ED Annotated Anodyne CCOC(=O)[C@@H](c1cccnc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587556246 ED Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)CCc1cnc2nc(O)nc(O)c2c1 ZINC000587556391 ED Annotated Anodyne CC1=C(c2ccc3c(O)nc(O)nc3n2)[C@@H](C)n2ncnc2N1C ZINC000587556409 ED Annotated Anodyne CC1=C(c2ccc3c(O)nc(O)nc3n2)[C@H](C)n2ncnc2N1C ZINC000587556410 ED Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)cnc2cc(C(=O)O)nn12 ZINC000587556421 ED Annotated Anodyne CCC1=C(C)N[C@H]2c3nc4nc(O)nc(O)c4cc3CCN2C1=O ZINC000587556437 ED Annotated Anodyne CCC1=C(C)N[C@@H]2c3nc4nc(O)nc(O)c4cc3CCN2C1=O ZINC000587556453 ED Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cnn(-c2ccccn2)c1CC3 ZINC000587556541 ED Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccccn1 ZINC000587556585 ED Annotated Anodyne O=C1Nc2ccccc2[C@]12CCc1nc3nc(O)nc(O)c3cc1C2 ZINC000587556587 ED Annotated Anodyne CC(C)(C)OC(=O)N1CC2(Cc3cc4c(O)nc(O)nc4nc3C2)C1 ZINC000587556588 ED Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCCc2nc3nc(O)nc(O)c3cc21)[N+](=O)[O-] ZINC000587556589 ED Annotated Mild CCOC(=O)[C@H]([C@@H]1CCCc2nc3nc(O)nc(O)c3cc21)[N+](=O)[O-] ZINC000587556590 ED Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCCc2nc3nc(O)nc(O)c3cc21)[N+](=O)[O-] ZINC000587556591 ED Annotated Mild CCOC(=O)[C@@H]([C@H]1CCCc2nc3nc(O)nc(O)c3cc21)[N+](=O)[O-] ZINC000587556592 ED Annotated Mild O=C1Nc2ccccc2[C@@]12CCc1nc3nc(O)nc(O)c3cc1C2 ZINC000587556601 ED Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587556619 ED Annotated Anodyne COc1cc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)ccn1 ZINC000587556673 ED Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(N4CCOCC4)cc3O)nc2n1 ZINC000587556680 ED Annotated Anodyne COc1cc(-c2ccc3c(O)nc(O)nc3n2)c(OC)nc1OC ZINC000587556703 ED Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587556739 ED Annotated Anodyne CC(=O)Nc1cccc(C(=O)Cc2ccc3c(O)nc(O)nc3n2)c1 ZINC000587556760 ED Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3cc4c(O)nc(O)nc4nc3CC[C@@H]2CN1 ZINC000587556836 ED Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3cc4c(O)nc(O)nc4nc3CC[C@H]2CN1 ZINC000587556841 ED Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3cc4c(O)nc(O)nc4nc3CC[C@H]2CN1 ZINC000587556846 ED Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3cc4c(O)nc(O)nc4nc3CC[C@@H]2CN1 ZINC000587556849 ED Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1cnc2nc(O)nc(O)c2c1 ZINC000587557007 ED Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc3c(O)nc(O)nc3nc2CC1 ZINC000587557015 ED Annotated Anodyne NC(=O)Cn1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 ZINC000587557042 ED Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1ccc2c(O)nc(O)nc2n1 ZINC000587557046 ED Annotated Anodyne CC(C)(C)OC(=O)N1CC2(Cc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587557277 ED Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1nn(-c2ccccc2)nc1CC3 ZINC000587557296 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H]2C1 ZINC000587557557 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@H]2C1 ZINC000587557558 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]2C1 ZINC000587557559 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H]2C1 ZINC000587557560 ED Annotated Anodyne CN1C(=O)[C@H](c2ccc3c(O)nc(O)nc3n2)C(=O)c2ccccc21 ZINC000587557964 ED Annotated Anodyne CN1C(=O)[C@@H](c2ccc3c(O)nc(O)nc3n2)C(=O)c2ccccc21 ZINC000587557967 ED Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Cc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587558006 ED Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Cc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587558008 ED Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587558065 ED Annotated Anodyne O=C1Cc2cc3c(O)nc(O)nc3nc2CCN1Cc1ccccc1 ZINC000587558270 ED Annotated Anodyne Nc1ccc(N2CCOCC2)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587558395 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3nc4nc(O)nc(O)c4cc3C[C@H]2C1 ZINC000587558502 ED Annotated Anodyne CCOC(=O)CCc1cc2c(O)nc(O)nc2nc1CC(=O)OCC ZINC000587558530 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3cc4c(O)nc(O)nc4nc3[C@H]2C1 ZINC000587558714 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3cc4c(O)nc(O)nc4nc3[C@@H]2C1 ZINC000587558716 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3cc4c(O)nc(O)nc4nc3[C@H]2C1 ZINC000587558718 ED Annotated Anodyne Nc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1N1CCOCC1 ZINC000587558809 ED Annotated Anodyne O=C(c1ccccc1)N1CCc2cc3c(O)nc(O)nc3nc2CC1 ZINC000587558850 ED Annotated Anodyne CN1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)CC1 ZINC000587558903 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3[C@@H]2C1 ZINC000587558927 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3cc4c(O)nc(O)nc4nc3[C@H]2C1 ZINC000587558929 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3nc4nc(O)nc(O)c4cc3[C@@H]2C1 ZINC000587558931 ED Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3[C@H]2C1 ZINC000587558933 ED Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)c1nc2nc(O)nc(O)c2cc1C ZINC000587559480 ED Annotated Anodyne CCOC(=O)C[C@@H](C(=O)CC)c1nc2nc(O)nc(O)c2cc1C ZINC000587559481 ED Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1ccc2c(O)nc(O)nc2n1 ZINC000587559516 ED Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1ccc2c(O)nc(O)nc2n1 ZINC000587559522 ED Annotated Anodyne COC(=O)c1cccc(-c2nc3nc(O)nc(O)c3cc2C)c1O ZINC000587559735 ED Annotated Anodyne CCOC(=O)C[C@@H](Cc1ccc2c(O)nc(O)nc2n1)C(=O)OCC ZINC000587559754 ED Annotated Anodyne CCOC(=O)C[C@H](Cc1ccc2c(O)nc(O)nc2n1)C(=O)OCC ZINC000587559755 ED Annotated Anodyne CCOC(=O)CCc1nc2nc(O)nc(O)c2cc1CC(=O)OCC ZINC000587559780 ED Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1cc2c(O)nc(O)nc2nc1C ZINC000587559948 ED Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1cc2c(O)nc(O)nc2nc1C ZINC000587559949 ED Annotated Anodyne COc1cccc(OC(=O)Cc2nc3nc(O)nc(O)c3cc2C)c1 ZINC000587559986 ED Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)c1ccc2c(O)nc(O)nc2n1 ZINC000587559990 ED Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)c1ccc2c(O)nc(O)nc2n1 ZINC000587559991 ED Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c(O)c1 ZINC000587560033 ED Annotated Anodyne C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)c2cc3c(O)nc(O)nc3nc21 ZINC000587560191 ED Annotated Mild C=CC[C@H]1C(=O)C[C@H](C(=O)OC)c2cc3c(O)nc(O)nc3nc21 ZINC000587560192 ED Annotated Mild C=CC[C@H]1C(=O)C[C@@H](C(=O)OC)c2cc3c(O)nc(O)nc3nc21 ZINC000587560194 ED Annotated Mild C=CC[C@@H]1C(=O)C[C@@H](C(=O)OC)c2cc3c(O)nc(O)nc3nc21 ZINC000587560196 ED Annotated Mild COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CC(=O)O ZINC000587560249 ED Annotated Anodyne CC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)c1ccccc1C(=O)O ZINC000587560707 ED Annotated Anodyne CC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)c1ccccc1C(=O)O ZINC000587560708 ED Annotated Anodyne COC(=O)c1oc2c(c1C)-c1nc3nc(O)nc(O)c3cc1CC2 ZINC000587560768 ED Annotated Anodyne Cc1ccc(O)c(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c1 ZINC000587561038 ED Annotated Anodyne O=C(O)[C@]1(c2ccccc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587561064 ED Annotated Anodyne O=C(O)[C@@]1(c2ccccc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587561073 ED Annotated Anodyne Cc1ccc(C(=O)Cc2nc3nc(O)nc(O)c3cc2CCO)cc1 ZINC000587561090 ED Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1CC(=O)c1ccccc1 ZINC000587561620 ED Annotated Anodyne CCc1ccc(O)c(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c1 ZINC000587561908 ED Annotated Anodyne Cc1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1CCS2(=O)=O ZINC000587562445 ED Annotated Anodyne Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1S(N)(=O)=O ZINC000587562459 ED Annotated Anodyne Cc1ccc(S(=O)(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562495 ED Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562528 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587562566 ED Annotated Anodyne CCS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562595 ED Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587562695 ED Annotated Anodyne O=C(O)COCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587562745 ED Annotated Anodyne O=C(O)COCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587562762 ED Annotated Bother COC(=O)c1cc(Br)c2[nH]c(COCC(=O)O)nc2c1 ZINC000587562767 ED Annotated Anodyne CCS(=O)(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562813 ED Annotated Anodyne Oc1nc(O)c2ccc(CCc3ccc(OC[C@H]4CO4)cc3)nc2n1 ZINC000587562828 ED Annotated Anodyne COCC(=O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587562834 ED Annotated Bother O=C(O)COCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587562841 ED Annotated Anodyne COCC(=O)Cc1nc2cc(I)cnc2[nH]1 ZINC000587562870 ED Annotated Anodyne Oc1nc(O)c2ccc(CCc3ccc(OC[C@@H]4CO4)cc3)nc2n1 ZINC000587562880 ED Annotated Anodyne COCC(=O)Cc1nc2cccc(I)c2[nH]1 ZINC000587562943 ED Annotated Anodyne O=S1(=O)CCc2cc3c(O)nc(O)nc3nc2-c2ccccc21 ZINC000587562967 ED Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587562982 ED Annotated Anodyne O=S(=O)(Cl)c1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1C2 ZINC000587563044 ED Annotated Unstable CNS(=O)(=O)c1sccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563073 ED Annotated Anodyne COCC(=O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587563116 ED Annotated Anodyne COCC(=O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587563148 ED Annotated Anodyne O=C(O)COCc1nc2cccc(I)c2[nH]1 ZINC000587563160 ED Annotated Anodyne COCC(=O)Cc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587563180 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587563224 ED Annotated Anodyne Oc1nc(O)c2ccc(CCc3ccc4c(c3)OCCO4)nc2n1 ZINC000587563265 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COCC(=O)O)[nH]c2c1 ZINC000587563267 ED Annotated Anodyne CS(=O)(=O)Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587563350 ED Annotated Anodyne COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1S(C)(=O)=O ZINC000587563391 ED Annotated Anodyne COCC(=O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587563484 ED Annotated Bother O=C(O)COCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587563502 ED Annotated Anodyne O=C(O)COCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587563509 ED Annotated Clean CN1CCc2c(sc(N)c2-c2ccc3c(O)nc(O)nc3n2)C1 ZINC000587563555 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC(=O)COC)[nH]c2c1 ZINC000587563595 ED Annotated Anodyne COCC(=O)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587563671 ED Annotated Anodyne COCC(=O)Cc1nc2ccc(I)cc2[nH]1 ZINC000587563890 ED Annotated Anodyne O=C(O)COCc1nc2ccc(I)cc2[nH]1 ZINC000587563925 ED Annotated Anodyne O=C(O)COCc1nc2cc(I)cnc2[nH]1 ZINC000587563979 ED Annotated Anodyne COCCCNc1nc(C)c(-c2ccc3c(O)nc(O)nc3n2)s1 ZINC000587563994 ED Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587564123 ED Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(CN4CCOCC4)cs3)nc2n1 ZINC000587564418 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587566282 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCOc3ccc(C=O)cc3)[nH]c12 ZINC000587566481 ED Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587566681 ED Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccnc(N)c2[nH]1 ZINC000587568071 ED Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccnc(O)c2[nH]1 ZINC000587568840 ED Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(N)ncc2[nH]1 ZINC000587569938 ED Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(N)ccnc2[nH]1 ZINC000587570795 ED Annotated Anodyne NC[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580934 ED Annotated Anodyne NC[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580935 ED Annotated Anodyne NC[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580936 ED Annotated Anodyne NC[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580937 ED Annotated Anodyne CN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587582472 ED Annotated Anodyne CN1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587582473 ED Annotated Anodyne CN1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587582474 ED Annotated Anodyne CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587582475 ED Annotated Anodyne N#C[C@@H]1CNC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594973 ED Annotated Mild N#C[C@@H]1CNC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594977 ED Annotated Mild N#C[C@@H]1CNC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594982 ED Annotated Mild N#C[C@@H]1CNC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594986 ED Annotated Mild O=C(O)C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603278 ED Annotated Anodyne O=C(O)C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603282 ED Annotated Anodyne O=C(O)C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603283 ED Annotated Anodyne O=C(O)C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603284 ED Annotated Anodyne CS(=O)(=O)NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604942 ED Annotated Anodyne CS(=O)(=O)NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604964 ED Annotated Anodyne CS(=O)(=O)NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604966 ED Annotated Anodyne CS(=O)(=O)NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604967 ED Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1NNC(=S)N1 ZINC000587610378 ED Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1NNC(=S)N1 ZINC000587610387 ED Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1NNC(=S)N1 ZINC000587610389 ED Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1NNC(=S)N1 ZINC000587610392 ED Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CS(=O)(=O)C2 ZINC000587613666 ED Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CS(=O)(=O)C2 ZINC000587613667 ED Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)C2 ZINC000587615093 ED Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)C2 ZINC000587615112 ED Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)C2 ZINC000587615114 ED Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)C2 ZINC000587615116 ED Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1[nH]nnc1=N ZINC000587623221 ED Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C[C@H](N)C(N)=O ZINC000587623521 ED Annotated Anodyne COC(=O)c1nnn(-c2c(C)[nH]c3cc(F)ccc23)c1C(=O)OC ZINC000587636155 ED Annotated Anodyne COC(=O)c1nnn(-c2c(C)[nH]c3cccc(F)c23)c1C(=O)OC ZINC000587636322 ED Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2c(C(=O)O)cccc2c1[C@@H](N)C(=O)O ZINC000587637463 ED Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2c(C(=O)O)cccc2c1[C@H](N)C(=O)O ZINC000587637468 ED Annotated Anodyne COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2c(C(=O)O)cccc12 ZINC000587638849 ED Annotated Anodyne COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2c(C(=O)O)cccc12 ZINC000587638927 ED Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccn(C)n1 ZINC000587638934 ED Annotated Anodyne COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2c(C(=O)O)cccc12 ZINC000587639027 ED Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cnn(C)c1 ZINC000587639028 ED Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cn(C)nc1C ZINC000587639031 ED Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2c(C(=O)O)cccc12 ZINC000587639324 ED Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cnn(C)c1C ZINC000587639337 ED Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587639428 ED Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccnn1C ZINC000587639495 ED Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646996 ED Annotated Bother COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccn(C)n1 ZINC000587647032 ED Annotated Bother COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cnn(C)c1 ZINC000587647037 ED Annotated Bother CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647116 ED Annotated Bother CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647155 ED Annotated Bother COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccnn1C ZINC000587647333 ED Annotated Bother COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647445 ED Annotated Bother COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647960 ED Annotated Bother COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647990 ED Annotated Bother COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587648015 ED Annotated Bother COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648062 ED Annotated Bother Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cn1cnc([N+](=O)[O-])n1 ZINC000587649873 ED Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(S(C)(=O)=O)c2c1 ZINC000587650298 ED Annotated Anodyne COC(=O)c1c(-c2cnccn2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650624 ED Annotated Anodyne COC(=O)c1c(-c2cnn(C)c2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650767 ED Annotated Anodyne CCOC(=O)c1cn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)nn1 ZINC000587651478 ED Annotated Anodyne O=C(Cc1cc(O)nc(O)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651738 ED Annotated Anodyne Cn1nc(Br)nc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587651788 ED Annotated Anodyne O=C(Nc1ccccn1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651994 ED Annotated Anodyne O=C(NCc1ccco1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652118 ED Annotated Anodyne O=C(NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccco1 ZINC000587652175 ED Annotated Anodyne O=C(CCn1ccc([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652237 ED Annotated Bother O=C(Cn1cc([N+](=O)[O-])cn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652276 ED Annotated Bother CCn1cc([N+](=O)[O-])c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587652283 ED Annotated Bother O=C(CCn1cnc([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652384 ED Annotated Bother Cn1cc(C(=O)O)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587652442 ED Annotated Anodyne NC(=O)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587652556 ED Annotated Anodyne COC(=O)c1cnn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587652713 ED Annotated Anodyne Cn1ncc([N+](=O)[O-])c1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652860 ED Annotated Bother O=C(Cn1ccc([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652887 ED Annotated Bother Cc1c([N+](=O)[O-])c(C(=O)n2ncc3ccc(Cl)cc3c2=O)nn1C ZINC000587652890 ED Annotated Bother Cc1nc([N+](=O)[O-])cn1CC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652923 ED Annotated Bother Cc1nn(C)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1[N+](=O)[O-] ZINC000587652930 ED Annotated Bother O=C(CCn1cc([N+](=O)[O-])cn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653396 ED Annotated Bother Cn1cc([N+](=O)[O-])c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587653401 ED Annotated Bother Cc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587653489 ED Annotated Bother O=C1C=CC(=O)N1CCCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653535 ED Annotated Anodyne CN1CCN(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587653542 ED Annotated Anodyne Cc1cc([N+](=O)[O-])nn1CC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653551 ED Annotated Bother NNc1nnc(-n2ncc3ccc(Cl)cc3c2=O)c2ccccc12 ZINC000587653569 ED Annotated Anodyne NS(=O)(=O)c1ccccc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587653577 ED Annotated Anodyne O=C(C[C@H]1CCS(=O)(=O)C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653742 ED Annotated Anodyne O=C(C[C@@H]1CCS(=O)(=O)C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653745 ED Annotated Anodyne O=C(CN1CCN2CCC[C@H]2C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654554 ED Annotated Anodyne O=C(CN1CCN2CCC[C@@H]2C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654556 ED Annotated Anodyne C[C@H](CN1CCOCC1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654563 ED Annotated Anodyne C[C@@H](CN1CCOCC1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654570 ED Annotated Anodyne O=C(Cc1cc(O)nc(S)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654664 ED Annotated Anodyne Cc1nnc2n1C[C@H](C(=O)n1ncc3ccc(Cl)cc3c1=O)CC2 ZINC000587654856 ED Annotated Anodyne Cc1nnc2n1C[C@@H](C(=O)n1ncc3ccc(Cl)cc3c1=O)CC2 ZINC000587654857 ED Annotated Anodyne O=C([C@H]1CCc2nncn2C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654878 ED Annotated Anodyne O=C([C@@H]1CCc2nncn2C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654886 ED Annotated Anodyne CC(=O)N1CCC[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587655173 ED Annotated Anodyne CC(=O)N1CCC[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587655174 ED Annotated Anodyne O=C(CCCN1CCOCC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655179 ED Annotated Anodyne O=C([C@H]1CN2CCC[C@H]2CO1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655240 ED Annotated Anodyne O=C([C@@H]1CN2CCC[C@H]2CO1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655241 ED Annotated Anodyne O=C([C@@H]1CN2CCC[C@@H]2CO1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655242 ED Annotated Anodyne O=C([C@H]1CN2CCC[C@@H]2CO1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655243 ED Annotated Anodyne O=C([C@@H]1CCS(=O)(=O)C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655246 ED Annotated Anodyne O=C([C@H]1CCS(=O)(=O)C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655248 ED Annotated Anodyne NC(=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655328 ED Annotated Anodyne NC(=O)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656511 ED Annotated Anodyne Nn1cnnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656644 ED Annotated Anodyne NC(=O)CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657867 ED Annotated Anodyne NNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658261 ED Annotated Anodyne NNC(=O)CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658665 ED Annotated Reactive NS(=O)(=O)CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660906 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nnn(C)n2)N1 ZINC000587757253 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nnn(C)n2)N1 ZINC000587757259 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nnn(C)n2)N1 ZINC000587757260 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nnn(C)n2)N1 ZINC000587757262 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nnn(C)n2)N1 ZINC000587760408 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nnn(C)n2)N1 ZINC000587760409 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nnn(C)n2)N1 ZINC000587760411 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nnn(C)n2)N1 ZINC000587760412 ED Annotated Anodyne CCOC(=O)Cc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587777326 ED Annotated Anodyne CCOC(=O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587777376 ED Annotated Anodyne CCOC(=O)Cc1nc2cc(I)cnc2[nH]1 ZINC000587777541 ED Annotated Anodyne CCOC(=O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587777619 ED Annotated Anodyne CCOCCOCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587777870 ED Annotated Anodyne CCOCCOCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587778068 ED Annotated Anodyne CCOCCOCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587778463 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(CC(=O)OCc3ccccc3)[nH]c12 ZINC000587782472 ED Annotated Anodyne O=C(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)OCc1ccccc1 ZINC000587782491 ED Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587783533 ED Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587783712 ED Annotated Anodyne COc1cc(/C=C\c2nc3nc(C#N)c(C#N)nc3[nH]2)cc(O)c1O ZINC000587784776 ED Annotated Mild COc1cc(/C=C/c2nc3nc(C#N)c(C#N)nc3[nH]2)cc(O)c1O ZINC000587784777 ED Annotated Mild COc1cc(/C=C\c2nc3ccc(C(=O)NN)cc3[nH]2)cc(O)c1O ZINC000587785050 ED Annotated Reactive COc1cc(/C=C/c2nc3ccc(C(=O)NN)cc3[nH]2)cc(O)c1O ZINC000587785051 ED Annotated Reactive COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587785141 ED Annotated Anodyne COc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(OC)c1O ZINC000587785175 ED Annotated Anodyne COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(OC)c1O ZINC000587785413 ED Annotated Anodyne COc1cc(/C=C\c2nc3c(O)nc(S)nc3[nH]2)cc(O)c1O ZINC000587786011 ED Annotated Clean COc1cc(/C=C/c2nc3c(O)nc(S)nc3[nH]2)cc(O)c1O ZINC000587786013 ED Annotated Clean COc1cc(/C=C\c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(O)c1O ZINC000587786462 ED Annotated Clean COc1cc(/C=C/c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(O)c1O ZINC000587786465 ED Annotated Clean COc1ccc(C=O)c(-c2nc3nc(N)nc(Cl)c3[nH]2)c1OC ZINC000587787237 ED Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587787607 ED Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587787909 ED Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587787991 ED Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(O)nc(S)nc3[nH]2)c1OC ZINC000587790944 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN=CNC2=O)N1 ZINC000587794344 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN=CNC2=O)N1 ZINC000587794345 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN=CNC2=O)N1 ZINC000587794347 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN=CNC2=O)N1 ZINC000587794349 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN=CNC2=O)N1 ZINC000587795919 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN=CNC2=O)N1 ZINC000587795922 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN=CNC2=O)N1 ZINC000587795925 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN=CNC2=O)N1 ZINC000587795928 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)NC[C@H]2C#N ZINC000587796580 ED Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)NC[C@@H]2C#N ZINC000587796581 ED Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)NC[C@@H]2C#N ZINC000587796582 ED Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)NC[C@H]2C#N ZINC000587796583 ED Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)NC[C@H]2C#N ZINC000587797244 ED Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)NC[C@@H]2C#N ZINC000587797246 ED Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)NC[C@@H]2C#N ZINC000587797249 ED Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)NC[C@H]2C#N ZINC000587797251 ED Annotated Mild COc1ccc(C=O)c(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)c1OC ZINC000587798752 ED Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(C[C@H](O)CO)N1 ZINC000587824715 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(C[C@@H](O)CO)N1 ZINC000587824716 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(C[C@@H](O)CO)N1 ZINC000587824717 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(C[C@H](O)CO)N1 ZINC000587824718 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)O)(C(=O)O)N1 ZINC000587825414 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)O)(C(=O)O)N1 ZINC000587825415 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)O)(C(=O)O)N1 ZINC000587825416 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)O)(C(=O)O)N1 ZINC000587825417 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)O)(C(=O)O)N1 ZINC000587825824 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)O)(C(=O)O)N1 ZINC000587825825 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)O)(C(=O)O)N1 ZINC000587825826 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)O)(C(=O)O)N1 ZINC000587825827 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H](O)[C@H](O)CO)N1 ZINC000587826998 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H](O)[C@H](O)CO)N1 ZINC000587826999 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H](O)[C@H](O)CO)N1 ZINC000587827000 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H](O)[C@H](O)CO)N1 ZINC000587827001 ED Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827496 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@H](C)O)N1 ZINC000587827497 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@H](C)O)N1 ZINC000587827498 ED Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827499 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H](O)[C@H](O)CO)N1 ZINC000587827536 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H](O)[C@H](O)CO)N1 ZINC000587827537 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H](O)[C@H](O)CO)N1 ZINC000587827538 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H](O)[C@H](O)CO)N1 ZINC000587827539 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(C[C@H](O)CO)N1 ZINC000587828061 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(C[C@@H](O)CO)N1 ZINC000587828062 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(C[C@@H](O)CO)N1 ZINC000587828063 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(C[C@H](O)CO)N1 ZINC000587828064 ED Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828518 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@H](C)O)N1 ZINC000587828519 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@H](C)O)N1 ZINC000587828520 ED Annotated Anodyne C[C@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828521 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](O)[C@@H](O)CO)N1 ZINC000587831495 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H](O)[C@@H](O)CO)N1 ZINC000587831498 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](O)[C@@H](O)CO)N1 ZINC000587831501 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H](O)[C@@H](O)CO)N1 ZINC000587831505 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](O)[C@@H](O)CO)N1 ZINC000587832618 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](O)[C@@H](O)CO)N1 ZINC000587832620 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H](O)[C@@H](O)CO)N1 ZINC000587832621 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H](O)[C@@H](O)CO)N1 ZINC000587832623 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](O)[C@H](O)CO)N1 ZINC000587832666 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](O)[C@H](O)CO)N1 ZINC000587832667 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](O)[C@H](O)CO)N1 ZINC000587832668 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](O)[C@H](O)CO)N1 ZINC000587832669 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](O)[C@H](O)CO)N1 ZINC000587834810 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](O)[C@H](O)CO)N1 ZINC000587834812 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](O)[C@H](O)CO)N1 ZINC000587834813 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](O)[C@H](O)CO)N1 ZINC000587834815 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2NNC(=S)N2)N1 ZINC000587842482 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2NNC(=S)N2)N1 ZINC000587842483 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2NNC(=S)N2)N1 ZINC000587842484 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2NNC(=S)N2)N1 ZINC000587842485 ED Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CS(=O)(=O)C2)N1 ZINC000587843254 ED Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CS(=O)(=O)C2)N1 ZINC000587843255 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CS(=O)(=O)C2)N1 ZINC000587844019 ED Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CS(=O)(=O)C2)N1 ZINC000587844021 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2NNC(=S)N2)N1 ZINC000587845358 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2NNC(=S)N2)N1 ZINC000587845360 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2NNC(=S)N2)N1 ZINC000587845362 ED Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2NNC(=S)N2)N1 ZINC000587845364 ED Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)NN ZINC000587862647 ED Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)NN ZINC000587864291 ED Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C1=NC(=O)C(=O)N1 ZINC000587864384 ED Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC(N)=O ZINC000587867364 ED Annotated Anodyne COC(=O)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867485 ED Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(N)=O ZINC000587868059 ED Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nncn1N ZINC000587868184 ED Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nncc(O)n1 ZINC000587868458 ED Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn[nH]1 ZINC000587869315 ED Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc[nH]n1 ZINC000587870072 ED Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(N)=O)nn1 ZINC000587871292 ED Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN(C)CC1 ZINC000587871686 ED Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCC(=O)NC ZINC000587871888 ED Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(=O)n(C)c(O)n1 ZINC000587872263 ED Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(=O)n(C)c(=O)n1C ZINC000587872315 ED Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cnc(N)n1 ZINC000587872384 ED Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CS(C)(=O)=O ZINC000587872427 ED Annotated Anodyne NS(=O)(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587874800 ED Annotated Anodyne CN(CC(=O)n1nc2cc1oc1ccc(F)cc21)S(C)(=O)=O ZINC000587874921 ED Annotated Anodyne CCN=c1nc(-n2nc3cc2oc2ccc(F)cc32)[nH]c(=NCC)[nH]1 ZINC000587875515 ED Annotated Anodyne O=C(Cn1cnc([N+](=O)[O-])n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875596 ED Annotated Bother CNC(=O)c1nc[nH]c1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875694 ED Annotated Anodyne C[C@@H](NS(C)(=O)=O)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875725 ED Annotated Anodyne C[C@H](NS(C)(=O)=O)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875726 ED Annotated Anodyne O=C(N[C@@H]1CCS(=O)(=O)C1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876079 ED Annotated Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876101 ED Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)NCCN3CCOCC3)c2c1 ZINC000587876481 ED Annotated Anodyne Cn1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)c(=O)n(C)c1=O ZINC000587876752 ED Annotated Anodyne COc1ccc(Cl)cc1C#Cc1c(C)nn(CCC(=O)NN)c1C ZINC000587902239 ED Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C)nn(CC(=O)NN)c1C ZINC000587902873 ED Annotated Reactive COc1ccc(Cl)cc1C#Cc1cncc(C(=O)NCCO)c1 ZINC000587908196 ED Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCNCC2)nc1 ZINC000587908411 ED Annotated Mild COc1ccc(Cl)cc1C#Cc1cn([C@H](C)C(=O)NN)nc1C ZINC000587908782 ED Annotated Reactive COc1ccc(Cl)cc1C#Cc1cn([C@@H](C)C(=O)NN)nc1C ZINC000587908790 ED Annotated Reactive COC(=O)c1nn(CC(N)=O)cc1C#Cc1cc(Cl)ccc1OC ZINC000587909028 ED Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(C[C@@H](C)C(=O)NN)c1 ZINC000587909239 ED Annotated Reactive COc1ccc(Cl)cc1C#Cc1cnn(C[C@H](C)C(=O)NN)c1 ZINC000587909240 ED Annotated Reactive CC[C@@H](C(=O)NN)n1cc(C#Cc2cc(Cl)ccc2OC)cn1 ZINC000587909374 ED Annotated Reactive CC[C@H](C(=O)NN)n1cc(C#Cc2cc(Cl)ccc2OC)cn1 ZINC000587909383 ED Annotated Reactive COc1ccc(Cl)cc1C#Cc1cnc(N)c(N2CCOCC2)n1 ZINC000587910672 ED Annotated Mild CCCn1c(N)c(C#Cc2cc(Cl)ccc2OC)c(=O)n(C)c1=O ZINC000587912686 ED Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C)c2ncnc(NN)c12 ZINC000587913192 ED Annotated Mild COc1ccc(Cl)cc1C#Cc1nnn(C)c1S(=O)(=O)Cl ZINC000587918109 ED Annotated Unstable COc1ccc(Cl)cc1C#Cc1ccn(S(=O)(=O)N(C)C)n1 ZINC000587918997 ED Annotated Mild COC(=O)Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923668 ED Annotated Anodyne COC(=O)Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000587924029 ED Annotated Anodyne COc1ccc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1OC ZINC000587926677 ED Annotated Anodyne COc1ccc(OC)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1OC ZINC000587927281 ED Annotated Mild COC(=O)Cc1cc(OC)n(-c2cc(O)cc(C(=O)O)c2)c1OC ZINC000587927550 ED Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(S(N)(=O)=O)cccc2[nH]1 ZINC000587928897 ED Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000587929830 ED Annotated Anodyne Nc1c(Br)cccc1-n1c(O)cc(CC(=O)O)c1O ZINC000587935614 ED Annotated Anodyne Nc1c(Br)cccc1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 ZINC000587935852 ED Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587937197 ED Annotated Mild COc1ccc([C@@H](O)[C@@H](C)c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587937198 ED Annotated Mild COc1ccc([C@@H](O)[C@H](C)c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587937199 ED Annotated Mild COc1ccc([C@H](O)[C@@H](C)c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587937200 ED Annotated Mild Nc1cccc(Br)c1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 ZINC000587937651 ED Annotated Anodyne Nc1cccc(Br)c1-n1c(O)cc(CC(=O)O)c1O ZINC000587937655 ED Annotated Anodyne COc1ccc(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939064 ED Annotated Anodyne Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587939711 ED Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587940100 ED Annotated Anodyne O=C1Cc2c3c(n(-c4ccnc(Br)c4)c2O1)OC(=O)C3 ZINC000587940893 ED Annotated Anodyne Cc1ncc(-n2c(O)cc(CC(=O)O)c2O)nc1Br ZINC000587941007 ED Annotated Anodyne Cc1ncc(-n2c(O)cc(CCC(=O)O)c2O)nc1Br ZINC000587941341 ED Annotated Anodyne O=C(O)CCc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587941379 ED Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587941618 ED Annotated Reactive O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587941626 ED Annotated Reactive C=C(C(=O)O)c1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587941694 ED Annotated Anodyne O=C(O)c1cc(-n2c(O)cc(C(=O)O)c2O)c(Br)cn1 ZINC000587941881 ED Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2ccnc(CCl)n2)c1OC ZINC000587941954 ED Annotated Reactive C=C(C(=O)O)c1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587945065 ED Annotated Anodyne O=C(O)CCc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945161 ED Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945582 ED Annotated Anodyne O=C(O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587946613 ED Annotated Anodyne O=C1Cc2c3c(n(-c4n[nH]c(-c5ccccc5F)n4)c2O1)OC(=O)C3 ZINC000587946798 ED Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(O)nc(O)nc4[nH]1)(C3)C2 ZINC000587949972 ED Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c[nH]c(=N)[nH]c-4n1)(C3)C2 ZINC000587950934 ED Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(O)nc(N)nc4[nH]1)(C3)C2 ZINC000587951724 ED Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CC(C)(C)CC(=O)O)[nH]c12 ZINC000587954918 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CC(C)(C)CC(=O)O)[nH]c2c1 ZINC000587955439 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c12 ZINC000587959576 ED Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3ccc(CC(=O)O)cc3)nc12 ZINC000587959869 ED Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2n1 ZINC000587960536 ED Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587962470 ED Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587962474 ED Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587962476 ED Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587962478 ED Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2cn1 ZINC000587962800 ED Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587963064 ED Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587963066 ED Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587963067 ED Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587963068 ED Annotated Anodyne C[C@H](CCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)CC(=O)O ZINC000587963118 ED Annotated Anodyne C[C@H](CCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)CC(=O)O ZINC000587963141 ED Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587963434 ED Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587963486 ED Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 ZINC000587968857 ED Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 ZINC000587969709 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(Br)cc2[nH]1 ZINC000587969827 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(Br)cc3[nH]2)[C@@H]1C(=O)O ZINC000587969831 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)cc3[nH]2)[C@H]1C(=O)O ZINC000587969832 ED Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 ZINC000587969878 ED Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1 ZINC000587969881 ED Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 ZINC000587969882 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587970265 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccnc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970267 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccnc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970268 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587970333 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970335 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cccc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970336 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587970373 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970374 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@H]1C(=O)O ZINC000587970375 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587970472 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Br)c(F)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970473 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@H]1C(=O)O ZINC000587970474 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(F)c(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970533 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587970534 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970535 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587970542 ED Annotated Bother O=C(O)[C@H]1C(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970543 ED Annotated Bother O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]1C(=O)O ZINC000587970544 ED Annotated Bother O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587970574 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Br)ccnc3[nH]2)[C@H]1C(=O)O ZINC000587970575 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3c(Br)ccnc3[nH]2)[C@@H]1C(=O)O ZINC000587970576 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 ZINC000587970679 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc2c1 ZINC000587970683 ED Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 ZINC000587970684 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cncc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970686 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587970687 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cncc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970688 ED Annotated Anodyne Cc1nc2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2cc1Br ZINC000587970800 ED Annotated Anodyne Cc1nc2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2cc1Br ZINC000587970801 ED Annotated Anodyne Cc1nc2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc2cc1Br ZINC000587970802 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3c(F)cnc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970813 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970814 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587970816 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H]1C(=O)O ZINC000587970922 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970923 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587970924 ED Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc12 ZINC000587970987 ED Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc12 ZINC000587970988 ED Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc12 ZINC000587970989 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(Br)c(O)c3[nH]2)[C@@H]1C(=O)O ZINC000587970990 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587970991 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@H]1C(=O)O ZINC000587970992 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(Br)nc3[nH]2)[C@@H]1C(=O)O ZINC000587970993 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587970994 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)nc3[nH]2)[C@H]1C(=O)O ZINC000587970995 ED Annotated Anodyne N#Cc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1C(F)(F)F ZINC000587971040 ED Annotated Mild N#Cc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1C(F)(F)F ZINC000587971041 ED Annotated Mild N#Cc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1C(F)(F)F ZINC000587971042 ED Annotated Mild O=C(O)[C@H]1C(c2nc3ccc(Br)c(F)c3[nH]2)[C@@H]1C(=O)O ZINC000587971067 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587971068 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@H]1C(=O)O ZINC000587971069 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587971070 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587971071 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(F)cc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587971072 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587971106 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@H]1C(=O)O ZINC000587971107 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H]1C(=O)O ZINC000587971108 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Br)cnc3[nH]2)[C@@H]1C(=O)O ZINC000587971254 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587971255 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)cnc3[nH]2)[C@H]1C(=O)O ZINC000587971256 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587971326 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)ncc3[nH]2)[C@H]1C(=O)O ZINC000587971327 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Br)ncc3[nH]2)[C@@H]1C(=O)O ZINC000587971328 ED Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587971330 ED Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@H]1C(=O)O ZINC000587971331 ED Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Br)cc(F)c3[nH]2)[C@@H]1C(=O)O ZINC000587971332 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000059046367 ED Annotated Mild Cn1c2cc(=N)ccc-2nc2c(C(=O)O)cc(S(=O)(=O)O)cc21 ZINC000059064743 ED Annotated Bother in-vitro C=C1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000059086156 ED Annotated Mild COc1ccc(C[C@@]2(O)COc3cc(O)c(C)c(O)c3C2=O)cc1 ZINC000059099111 ED Annotated Anodyne CC(=O)OC[C@]1(C)[C@H](C)OC(=O)C[C@]23CC(=O)O[C@@]2(C)CC[C@]13O ZINC000059204308 ED Annotated Anodyne C=C1[C@@H](/C=C/C2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2C[C@H]1O ZINC000059585846 ED Annotated Mild in-vitro biogenic C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@]1(CO1)[C@H]2/C=C/C1=CCOC1=O ZINC000059586447 ED Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2C(CO)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000059586601 ED Annotated Mild in-vitro biogenic C=C1[C@H](O)[C@@]23CC[C@@H]1C=C2[C@@H](C(=O)O)[C@@H]1[C@]2(C)C(=O)O[C@@]13CC[C@H]2O ZINC000059587906 ED Annotated Mild CCO[C@@H]1[C@@]23C=CC(=O)C=C2OC[C@]1(O)Cc1cc(O)c(O)cc13 ZINC000059588351 ED Annotated Mild in-vitro biogenic COC1=C(OC)C(=O)C([C@H]2COc3c(ccc(O)c3OC)C2)=CC1=O ZINC000059729520 ED Annotated Mild O=C1c2c(O)cc(O)cc2O[C@]12OCc1cc(O)c(O)cc1[C@H]2O ZINC000059775280 ED Annotated Anodyne O=C1c2c(O)cc(O)cc2O[C@@]12OCc1cc(O)c(O)cc1[C@H]2O ZINC000059775284 ED Annotated Clean O=C1c2c(O)cc(O)cc2O[C@]12OCc1cc(O)c(O)cc1[C@@H]2O ZINC000059775291 ED Annotated Anodyne O=C1c2c(O)cc(O)cc2O[C@@]12OCc1cc(O)c(O)cc1[C@@H]2O ZINC000059775300 ED Annotated Anodyne COC1=CC(=O)C([C@@H]2CC(=O)c3c(O)cc(OC)c(C)c3O2)=CC1=O ZINC000059778102 ED Annotated Mild COC1=CC(=O)C([C@H]2CC(=O)c3c(O)cc(OC)c(C)c3O2)=CC1=O ZINC000059778107 ED Annotated Mild COC1=CC(=O)C([C@@H]2CC(=O)c3c(O)cc(OC)cc3O2)=CC1=O ZINC000059778132 ED Annotated Mild C=C1[C@@H]2CC[C@H]3C(C)=C[C@]2(C[C@@]2(O)[C@@H](O)C(C)(C)[C@@H](O)C[C@H]12)[C@@H]3O ZINC000059779158 ED Annotated Mild CC(C)N1CCC(N2CCN(Cc3cccnc3)C[C@@H]2CCO)CC1 ZINC000059830148 ED Annotated Anodyne CO[C@@H]1C=C2CCN(C)[C@@H]2[C@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4 ZINC000059860178 ED Annotated Anodyne in-vitro COc1ccccc1CNCC(=O)N1CC(=O)Nc2ccccc21 ZINC000059874297 ED Annotated Anodyne CCOC(=O)/C(C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1)=N/O ZINC000006004877 ED Annotated Mild CC(=O)O[C@@H]1[C@@H](CN=[N+]=[N-])OCO[C@H](CN=[N+]=[N-])[C@H]1OC(C)=O ZINC000006005983 ED Annotated Clean COc1ccc(CCN2C(=O)C[C@]34C=C[C@H](C[C@@H]3C2=O)O4)cc1OC ZINC000006009926 ED Annotated Anodyne COc1ccc(CCN2C(=O)C[C@@]34C=C[C@@H](C[C@@H]3C2=O)O4)cc1OC ZINC000006009927 ED Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3C(C)(C)O[C@]4(O)C(=O)[C@]5(O)[C@@H](C)CC[C@H]1[C@]25C(=O)[C@]34C ZINC000006041807 ED Annotated Anodyne COC(=O)C1=CN(CCc2ccc(O)cc2)C(=O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C ZINC000006067021 ED Annotated Anodyne Cn1c(/C=C/c2ccc(/C=N/NC3=NCCN3)cc2)c[n+]2ccccc12 ZINC000006072351 ED Annotated Mild CN(CCO)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000006138902 ED Annotated Anodyne C[C@H](C(=O)Nc1nnc(C2CC2)s1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000006176108 ED Annotated Anodyne CCCCN(C(=O)NC(=O)Nc1ccc(C)cn1)S(C)(=O)=O ZINC000006244562 ED Annotated Anodyne COC(=O)c1nc(NC(=O)c2ccccc2Br)n[nH]1 ZINC000006372154 ED Annotated Anodyne COC(=O)CC[C@H](NC(=S)N/N=C/c1cccs1)C(=O)OC ZINC000006379269 ED Annotated Mild CCN1c2ncccc2C(=O)Nc2c(C)cc(N(C)CCO)nc21 ZINC000006385187 ED Annotated Anodyne COCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O ZINC000006385389 ED Annotated Mild COC[C@@H]1C(=O)c2cc3c(cc2C12C=CC1(C=C2)OCCO1)OCO3 ZINC000006385437 ED Annotated Anodyne CCOC(=O)CN1C(=O)c2cccn2S(=O)(=O)c2ccccc21 ZINC000006385650 ED Annotated Anodyne CCCNC(=O)CN1C(=O)N[C@]2(CCCc3cc(OC)ccc32)C1=O ZINC000006398259 ED Annotated Anodyne CCCNC(=O)CN1C(=O)N[C@@]2(CCCc3cc(OC)ccc32)C1=O ZINC000006398260 ED Annotated Anodyne CCOC(=O)Nc1cc(N(C)C[C@H](O)c2ccccc2)c(N)c(N)n1 ZINC000006403197 ED Annotated Anodyne CN(C)CCCNC(=N)c1ccc(C(=N)NCCCN(C)C)cc1 ZINC000006426232 ED Annotated Anodyne COC(=O)C1=C(C)C(=O)[C@@]23[C@@H]1CCCC[C@H]2C(=O)[C@H](C(=O)OC)[C@H]3C ZINC000006441892 ED Annotated Mild Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H]1OC[C@](C)(O)[C@H]1O3 ZINC000006442172 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H]1OC[C@](C)(O)[C@H]1O3 ZINC000006442173 ED Annotated Bother in-man C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@@H](COC(=O)[C@]1(C)O2)[C@H]34 ZINC000006468431 ED Annotated Anodyne O=C(N/N=C1\CCS(=O)(=O)c2ccc(F)cc21)c1ccc(O)cc1 ZINC000006472004 ED Annotated Reactive CN1CCN(c2nc3c(C4CC4)cc(C(=O)O)c(=O)n3cc2F)CC1 ZINC000006480785 ED Annotated Anodyne Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H]1OC[C@@](C)(O)[C@H]1O3 ZINC000006482232 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H]1OC[C@@](C)(O)[C@H]1O3 ZINC000006482234 ED Annotated Bother in-man COc1cc2c(cc1OC)[C@]1(COc3cc(O)c(O)c(O)c3C1=O)C2 ZINC000006483879 ED Annotated Clean C[C@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CC(=O)N=C1S ZINC000006485477 ED Annotated Anodyne C[C@]1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)CCC(=O)NC1=O ZINC000006491074 ED Annotated Anodyne C[C@@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CC(=O)N=C1S ZINC000006491441 ED Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=C1SCC(=O)N12 ZINC000006493145 ED Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=C1SCC(=O)N12 ZINC000006493149 ED Annotated Anodyne CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N ZINC000006498321 ED Annotated Mild C[C@@]1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)CCC(=O)NC1=O ZINC000006499742 ED Annotated Anodyne CCc1c([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N ZINC000060327804 ED Annotated Anodyne CCc1c([C@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N ZINC000060327805 ED Annotated Anodyne COC1=CC(=CNS(=O)(=O)CCc2ccccc2)C=C(OC)C1=O ZINC000061872335 ED Annotated Mild COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000061895508 ED Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000061895509 ED Annotated Anodyne O=C(NCc1ccc(Cl)nc1)c1csc(COCCO)n1 ZINC000061895999 ED Annotated Anodyne CC(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000061896560 ED Annotated Anodyne CC(C)C(=O)N1CC[C@]1(C)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000061896561 ED Annotated Anodyne COC(=O)c1cnc(NC(=O)[C@]2(C)CCN2C(=O)C(C)C)s1 ZINC000061897606 ED Annotated Anodyne COC(=O)c1cnc(NC(=O)[C@@]2(C)CCN2C(=O)C(C)C)s1 ZINC000061897608 ED Annotated Anodyne O=C(Nc1ccccc1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061897810 ED Annotated Anodyne O=C(Nc1ccccc1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061897909 ED Annotated Anodyne O=C(NCc1cccs1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061898300 ED Annotated Anodyne COCCNc1nc(NCCN2CCNC2=O)c2sccc2n1 ZINC000061898735 ED Annotated Anodyne CCC(=O)N1CC[C@@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000061902194 ED Annotated Anodyne CCC(=O)N1CC[C@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000061902195 ED Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCC2CC2)O3)c1 ZINC000061902296 ED Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CC2)O3)c1 ZINC000061902298 ED Annotated Anodyne CCC(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)c2cccs2)C1 ZINC000061902549 ED Annotated Anodyne CCC(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)c2cccs2)C1 ZINC000061902551 ED Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000061903083 ED Annotated Anodyne CCCC(=O)N1CC[C@@]1(C)C(=O)Nc1ncc(C(=O)OC)s1 ZINC000061903162 ED Annotated Anodyne CCCC(=O)N1CC[C@]1(C)C(=O)Nc1ncc(C(=O)OC)s1 ZINC000061903163 ED Annotated Anodyne CCNC(=O)[C@]1(C)CCN(Cc2noc(-c3c(C)noc3C)n2)C1 ZINC000061903310 ED Annotated Anodyne CCNC(=O)[C@@]1(C)CCN(Cc2noc(-c3c(C)noc3C)n2)C1 ZINC000061903311 ED Annotated Anodyne O=C(Nc1ccccc1F)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061903895 ED Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)NC1CCCCC1 ZINC000061904068 ED Annotated Anodyne Cc1ccc(C(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061904334 ED Annotated Anodyne CC(=O)NCCNC(=O)[C@]1(C)Cc2c(-c3ccccc3)ccnc2O1 ZINC000061904346 ED Annotated Anodyne CC(=O)NCCNC(=O)[C@@]1(C)Cc2c(-c3ccccc3)ccnc2O1 ZINC000061904348 ED Annotated Anodyne CCCC(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000061904449 ED Annotated Mild CCCC(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000061904450 ED Annotated Mild CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cccs2)C1 ZINC000061904540 ED Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cccs2)C1 ZINC000061904541 ED Annotated Anodyne O=C(NCC1CC1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061904820 ED Annotated Anodyne Cc1ccccc1CNC(=O)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061904894 ED Annotated Anodyne CC(C)NC(=O)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061905112 ED Annotated Anodyne CCOC(=O)c1c(C)nsc1NC(=O)[C@]1(C)CCN1C(=O)CC ZINC000061905222 ED Annotated Anodyne CCOC(=O)c1c(C)nsc1NC(=O)[C@@]1(C)CCN1C(=O)CC ZINC000061905223 ED Annotated Anodyne CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cccc2c1OCCO2 ZINC000061905529 ED Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cccc2c1OCCO2 ZINC000061905530 ED Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000061905780 ED Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000061905781 ED Annotated Anodyne CN(Cc1ccccc1)C(=O)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061905918 ED Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)NC1CCCCC1 ZINC000061905923 ED Annotated Anodyne CCC(=O)N1CCC[C@H](C(=O)Nc2nc3ccccc3n2C)CC1 ZINC000061905953 ED Annotated Anodyne CCC(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3n2C)CC1 ZINC000061905954 ED Annotated Anodyne CN(C)CCCNc1nc2cc(-c3cnn(C)c3)sc2c(=O)n1C ZINC000061906222 ED Annotated Anodyne CN(C)CCCNc1nc2cc(-c3cncnc3)sc2c(=O)n1C ZINC000061906978 ED Annotated Anodyne Cc1ccccc1CNC(=O)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061908087 ED Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccco2)C1 ZINC000061908349 ED Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccco2)C1 ZINC000061908350 ED Annotated Anodyne COC(=O)c1cnc(NC(=O)[C@]2(C)CCCN(C(C)=O)C2)s1 ZINC000061908466 ED Annotated Anodyne COC(=O)c1cnc(NC(=O)[C@@]2(C)CCCN(C(C)=O)C2)s1 ZINC000061908467 ED Annotated Anodyne C[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O ZINC000061921381 ED Annotated Anodyne C[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O ZINC000061921382 ED Annotated Anodyne CC[C@H]1NC(=O)c2cccnc2-n2c1nc1ccc(OC)cc1c2=O ZINC000061921397 ED Annotated Anodyne CC[C@@H]1NC(=O)c2cccnc2-n2c1nc1ccc(OC)cc1c2=O ZINC000061921398 ED Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N[C@H](C)C3)cc1 ZINC000061921849 ED Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)NC[C@@H]3C)cc1 ZINC000061921851 ED Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N[C@@H](C)C3)cc1 ZINC000061921852 ED Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)NC[C@H]3C)cc1 ZINC000061921853 ED Annotated Anodyne CSc1ncnc2c1ncn2CCCNCCCN1CCCC1=O ZINC000061922486 ED Annotated Anodyne OCC[C@@H]1C[C@H](O)[C@@H](O)[C@]2(OCCc3cc(C(F)(F)F)ccc32)O1 ZINC000061922601 ED Annotated Anodyne OCC[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(OCc3cc(C(F)(F)F)ccc32)O1 ZINC000061922615 ED Annotated Anodyne COc1ncnc2c1ncn2CCCN(C)CCc1ccccn1 ZINC000061922640 ED Annotated Anodyne CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(N2CCOCC2)c1 ZINC000061924024 ED Annotated Anodyne O=C(NC1CC1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061925601 ED Annotated Anodyne CN(C)c1cccc(CNC(=O)c2csc(COCCO)n2)c1 ZINC000061925639 ED Annotated Anodyne COCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061925973 ED Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061925974 ED Annotated Anodyne CN(Cc1ccccc1)C(=O)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061926099 ED Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)c1ccccc1F ZINC000061926569 ED Annotated Anodyne C#Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2cc(C)n(C)n2)cc1 ZINC000061926753 ED Annotated Mild C#Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2cc(C)n(C)n2)cc1 ZINC000061926754 ED Annotated Mild CCCC(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1 ZINC000061926963 ED Annotated Anodyne CCCC(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1 ZINC000061926964 ED Annotated Anodyne O=C(NCc1cccs1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061927008 ED Annotated Anodyne O=C(Nc1cccs1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061927013 ED Annotated Anodyne CC(C)C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccs1 ZINC000061927160 ED Annotated Anodyne CC(C)C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccs1 ZINC000061927161 ED Annotated Anodyne CC(=O)NCCNC(=O)[C@@H]1Cc2c(-c3ccccc3)ccnc2O1 ZINC000061927685 ED Annotated Anodyne CC(=O)NCCNC(=O)[C@H]1Cc2c(-c3ccccc3)ccnc2O1 ZINC000061927689 ED Annotated Anodyne O=C(Nc1ccc([C@@H](O)c2ccccc2)cc1)[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000061927854 ED Annotated Anodyne O=C(Nc1ccc([C@H](O)c2ccccc2)cc1)[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000061927856 ED Annotated Anodyne OC[C@H]1O[C@@H](c2nc(-c3ccc(Br)cc3)no2)C[C@@H]1O ZINC000061928187 ED Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@H](C)ON=C2c2ncccc2C)o1 ZINC000061928323 ED Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@H](C)ON=C2c2ncccc2C)o1 ZINC000061928325 ED Annotated Anodyne O=C(NCC1CCCCC1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061928638 ED Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2CC2)cc1 ZINC000061928799 ED Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2CC2)cc1 ZINC000061928800 ED Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000061928802 ED Annotated Mild COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000061928803 ED Annotated Mild CCN(CC)C(=O)c1ccc2[nH]c([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061929188 ED Annotated Anodyne CN(C)CCCNc1nc2cc(-c3cc[nH]n3)sc2c(=O)n1C ZINC000061929257 ED Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccco2)C1 ZINC000061929758 ED Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccco2)C1 ZINC000061929759 ED Annotated Anodyne COc1ccccc1Cn1c(C)c(C(=O)NCCC#N)sc1=O ZINC000061929795 ED Annotated Mild O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)c1cccs1 ZINC000061930313 ED Annotated Anodyne CCCC(=O)N1CC[C@@]1(C)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000061931005 ED Annotated Anodyne CCCC(=O)N1CC[C@]1(C)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000061931007 ED Annotated Anodyne C#CCN1[C@@H]2CCN(C2)c2cc(Br)ccc2S1(=O)=O ZINC000061931084 ED Annotated Mild COc1ccccc1CNS(=O)(=O)CCNCCc1ccccc1 ZINC000061931121 ED Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1C[C@@H](O)COCc1ccccc1 ZINC000061931180 ED Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1C[C@H](O)COCc1ccccc1 ZINC000061931182 ED Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)N(Cc2ccccc2)CCC1=O ZINC000061942792 ED Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(CO)cc(CCO)c2[C@@H]1CCO ZINC000061943249 ED Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(CO)cc(CCO)c2[C@@H]1CCO ZINC000061943251 ED Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(CO)cc(CCO)c2[C@H]1CCO ZINC000061943304 ED Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(CO)cc(CCO)c2[C@H]1CCO ZINC000061943306 ED Annotated Anodyne O=S1(=O)CCO[C@@H](CO)CN1Cc1ccc(Cl)c(Cl)c1 ZINC000061944763 ED Annotated Anodyne O=S1(=O)CCO[C@H](CO)CN1Cc1ccc(Cl)c(Cl)c1 ZINC000061944765 ED Annotated Anodyne C=CCN1CCS(=O)(=O)N(Cc2ccccc2)[C@@H](C(C)C)C1=O ZINC000061944832 ED Annotated Mild CSc1nc(N)nc2c1ncn2CC(=O)NCc1ccccc1 ZINC000061947353 ED Annotated Anodyne N#Cc1ccc([C@]23OCCN2CCn2c3c3ccccc3[n+]2[O-])cc1 ZINC000061947781 ED Annotated Mild N#Cc1ccc([C@@]23OCCN2CCn2c3c3ccccc3[n+]2[O-])cc1 ZINC000061947783 ED Annotated Mild C=CCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NCCO ZINC000061949622 ED Annotated Mild Cc1cccc(C(=O)O[C@H]2[C@H](C)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@]23O4)c1 ZINC000061958582 ED Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1CC ZINC000061958796 ED Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@H]1CC ZINC000061958798 ED Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@H]1CCc1ccccc1 ZINC000061958834 ED Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@@H]1CCc1ccccc1 ZINC000061958835 ED Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@H]1c1cccc(OC)c1 ZINC000061958841 ED Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@@H]1c1cccc(OC)c1 ZINC000061958843 ED Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000061958927 ED Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000061958928 ED Annotated Anodyne CO[C@H]1C=C2CCN(C)[C@H]2[C@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4 ZINC000061968950 ED Annotated Anodyne CO[C@H]1C=C2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4 ZINC000061968951 ED Annotated Anodyne C/C=C/C(=O)O[C@@H]1/C=C\[C@H](O)[C@H](OC(C)=O)CCC(=O)O[C@H]1C ZINC000618006104 ED Annotated Anodyne C/C=C/C(=O)O[C@@H]1/C=C\[C@H](O)[C@@H](OC(C)=O)CCC(=O)O[C@@H]1C ZINC000618006105 ED Annotated Anodyne C/C=C/C(=O)O[C@@H]1/C=C\[C@H](O)[C@@H](OC(C)=O)CCC(=O)O[C@H]1C ZINC000618006106 ED Annotated Anodyne COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc[nH]1 ZINC000618007619 ED Annotated Reactive COc1cc(C)nc(NC(=O)NCCSSCCN(C)C)n1 ZINC000618007661 ED Annotated Reactive Cc1nnc(NC(=O)NCCSSCCN(C)C)nc1C ZINC000618007718 ED Annotated Reactive Cc1cc(O)nc(NC(=O)NCCSSCCN(C)C)n1 ZINC000618007763 ED Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(C)on1 ZINC000618007772 ED Annotated Reactive COc1cc(C(=O)NCCSSCCN)cc(OC)c1OC ZINC000618007832 ED Annotated Reactive COc1ccc(C(=O)CNC(=O)CCSSCCN)cc1 ZINC000618007859 ED Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cscn1 ZINC000618008038 ED Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc2nn[nH]c2c1 ZINC000618008153 ED Annotated Reactive CN(C)CCSSCCNC(=O)CNC(=O)c1ccccc1 ZINC000618008214 ED Annotated Reactive CN(C)CCSSCCNC(=O)CSc1ncccn1 ZINC000618008367 ED Annotated Reactive CN(C)CCSSCCNC(=O)COc1ccc(C#N)cc1 ZINC000618009416 ED Annotated Reactive CN(C)CCSSCCN(C)C(=O)c1ccc2nn[nH]c2c1 ZINC000618009478 ED Annotated Reactive CN(C)CCSSCCNC(=O)[C@@](C)(O)c1ccccc1 ZINC000618009539 ED Annotated Reactive CN(C)CCSSCCNC(=O)[C@](C)(O)c1ccccc1 ZINC000618009540 ED Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc(N(C)C)nc1 ZINC000618011787 ED Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc2c(c1)nnn2C ZINC000618011804 ED Annotated Reactive O=C1NC(=O)N(Cc2ccco2)[C@H]2NCN(Cc3ccccc3)C[C@@H]12 ZINC000618011952 ED Annotated Anodyne O=C1NC(=O)N(Cc2ccco2)[C@H]2NCN(Cc3ccccc3)C[C@H]12 ZINC000618011962 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)C1CCCCC1 ZINC000618012913 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)C1CCCCC1 ZINC000618012916 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)C1CCCCC1 ZINC000618012917 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)C1CCCCC1 ZINC000618012918 ED Annotated Anodyne CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](c3ccccn3)NC(=O)[C@H]2[C@H]1C ZINC000618013137 ED Annotated Anodyne CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](c3ccccn3)NC(=O)[C@@H]2[C@H]1C ZINC000618013138 ED Annotated Anodyne CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](c3ccccn3)NC(=O)[C@H]2[C@@H]1C ZINC000618013141 ED Annotated Anodyne CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](c3ccccn3)NC(=O)[C@@H]2[C@@H]1C ZINC000618013144 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC1CCCCC1 ZINC000618013192 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC1CCCCC1 ZINC000618013193 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC1CCCCC1 ZINC000618013194 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC1CCCCC1 ZINC000618013195 ED Annotated Anodyne CC1CCN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)CC1 ZINC000618013532 ED Annotated Anodyne CC1CCN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)CC1 ZINC000618013534 ED Annotated Anodyne CC1CCN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)CC1 ZINC000618013535 ED Annotated Anodyne CC1CCN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)CC1 ZINC000618013536 ED Annotated Anodyne O=C1CC[C@H](C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)NN1 ZINC000618013550 ED Annotated Anodyne O=C1CC[C@@H](C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)NN1 ZINC000618013551 ED Annotated Anodyne CCCCN1[C@H](c2ccccn2)N[C@@H]2[C@@H]1C(=O)NC(=O)N2CCC ZINC000618013604 ED Annotated Anodyne CCCCN1[C@H](c2ccccn2)N[C@H]2[C@@H]1C(=O)NC(=O)N2CCC ZINC000618013605 ED Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(CCC)[C@H]2N[C@H]1c1ccccn1 ZINC000618013606 ED Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(CCC)[C@@H]2N[C@H]1c1ccccn1 ZINC000618013607 ED Annotated Anodyne COc1cc2nc(NC(=O)[C@H]3CCC(=O)NN3)sc2cc1OC ZINC000618013618 ED Annotated Anodyne COc1cc2nc(NC(=O)[C@@H]3CCC(=O)NN3)sc2cc1OC ZINC000618013619 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)Nc1cccnc1 ZINC000618013852 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)Nc1cccnc1 ZINC000618013853 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)Nc1cccnc1 ZINC000618013854 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)Nc1cccnc1 ZINC000618013855 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cccs1 ZINC000618013888 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cccs1 ZINC000618013890 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cccs1 ZINC000618013892 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cccs1 ZINC000618013894 ED Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1ccco1 ZINC000618013895 ED Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1ccco1 ZINC000618013897 ED Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1ccco1 ZINC000618013898 ED Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1ccco1 ZINC000618013899 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1ccco1 ZINC000618013908 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1ccco1 ZINC000618013911 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1ccco1 ZINC000618013912 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1ccco1 ZINC000618013913 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccco1 ZINC000618013921 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccco1 ZINC000618013923 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccco1 ZINC000618013925 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccco1 ZINC000618013927 ED Annotated Anodyne Cc1ccc(-n2nc(C(=O)N[C@@H]3C[C@@H](C)NC(=O)N3)cc2C)cc1 ZINC000618014052 ED Annotated Anodyne Cc1ccc(-n2nc(C(=O)N[C@H]3C[C@@H](C)NC(=O)N3)cc2C)cc1 ZINC000618014053 ED Annotated Anodyne Cc1ccc(-n2nc(C(=O)N[C@@H]3C[C@H](C)NC(=O)N3)cc2C)cc1 ZINC000618014054 ED Annotated Anodyne Cc1ccc(-n2nc(C(=O)N[C@H]3C[C@H](C)NC(=O)N3)cc2C)cc1 ZINC000618014055 ED Annotated Anodyne N#Cc1ccc(N2CCC[C@H](NC(=O)C3=NC(=O)N=N3)C2)c(F)c1 ZINC000618014137 ED Annotated Mild N#Cc1ccc(N2CCC[C@@H](NC(=O)C3=NC(=O)N=N3)C2)c(F)c1 ZINC000618014147 ED Annotated Mild Cc1occc1CNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618014186 ED Annotated Anodyne Cc1occc1CNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618014189 ED Annotated Anodyne Cc1occc1CNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618014190 ED Annotated Anodyne Cc1occc1CNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618014192 ED Annotated Anodyne CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1N[C@H](C)[C@H](C)NC1=O ZINC000618014242 ED Annotated Mild CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1N[C@@H](C)[C@H](C)NC1=O ZINC000618014250 ED Annotated Mild CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1N[C@@H](C)[C@@H](C)NC1=O ZINC000618014251 ED Annotated Mild CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1N[C@H](C)[C@@H](C)NC1=O ZINC000618014252 ED Annotated Mild C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccsc1 ZINC000618014329 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccsc1 ZINC000618014330 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccsc1 ZINC000618014331 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccsc1 ZINC000618014332 ED Annotated Anodyne O=C1N[C@H](CN2CCCC[C@@H]2C(=O)N2CCCC2)N[C@H]2CCCC[C@H]12 ZINC000618014361 ED Annotated Anodyne O=C1N[C@H](CN2CCCC[C@@H]2C(=O)N2CCCC2)N[C@@H]2CCCC[C@@H]12 ZINC000618014367 ED Annotated Anodyne O=C1N[C@H](CN2CCCC[C@@H]2C(=O)N2CCCC2)N[C@@H]2CCCC[C@H]12 ZINC000618014368 ED Annotated Anodyne O=C1N[C@H](CN2CCCC[C@@H]2C(=O)N2CCCC2)N[C@H]2CCCC[C@@H]12 ZINC000618014369 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)Cc1ccco1 ZINC000618014395 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)Cc1ccco1 ZINC000618014403 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)Cc1ccco1 ZINC000618014404 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)Cc1ccco1 ZINC000618014405 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCCCCC1 ZINC000618014406 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCCCCC1 ZINC000618014415 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCCCCC1 ZINC000618014416 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCCCCC1 ZINC000618014417 ED Annotated Anodyne O=C1CC[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)NN1 ZINC000618014435 ED Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)NN1 ZINC000618014439 ED Annotated Anodyne C[C@@H]1N[C@H](c2ncccn2)NC(=O)[C@H]1CC(=O)NC1CCCCCC1 ZINC000618014460 ED Annotated Anodyne C[C@@H]1N[C@H](c2ncccn2)NC(=O)[C@@H]1CC(=O)NC1CCCCCC1 ZINC000618014463 ED Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)NN1 ZINC000618014582 ED Annotated Anodyne O=C1CC[C@H](C(=O)Nc2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)NN1 ZINC000618014586 ED Annotated Anodyne C=CCN(CC=C)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618014628 ED Annotated Mild C=CCN(CC=C)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618014630 ED Annotated Mild C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccoc1 ZINC000618014686 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccoc1 ZINC000618014687 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccoc1 ZINC000618014688 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccoc1 ZINC000618014689 ED Annotated Anodyne C[C@H](CNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)C1CC1 ZINC000618014714 ED Annotated Anodyne C[C@H](CNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)C1CC1 ZINC000618014715 ED Annotated Anodyne C[C@H](CNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)C1CC1 ZINC000618014716 ED Annotated Anodyne C[C@H](CNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)C1CC1 ZINC000618014717 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCC1CCCC1 ZINC000618014724 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCC1CCCC1 ZINC000618014725 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCC1CCCC1 ZINC000618014726 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCC1CCCC1 ZINC000618014727 ED Annotated Anodyne CC(C)OCCCNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618014748 ED Annotated Anodyne CC(C)OCCCNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618014749 ED Annotated Anodyne CC(C)OCCCNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618014750 ED Annotated Anodyne CC(C)OCCCNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618014751 ED Annotated Anodyne CCCCN(CC)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618014756 ED Annotated Anodyne CCCCN(CC)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618014757 ED Annotated Anodyne CCCCN(CC)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618014758 ED Annotated Anodyne CCCCN(CC)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618014759 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)CC(F)(F)F ZINC000618014890 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)CC(F)(F)F ZINC000618014898 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)CC(F)(F)F ZINC000618014899 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)CC(F)(F)F ZINC000618014900 ED Annotated Anodyne CC(C)CCN(C)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618014925 ED Annotated Anodyne CC(C)CCN(C)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618014929 ED Annotated Anodyne CC(C)CCN(C)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618014931 ED Annotated Anodyne CC(C)CCN(C)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618014932 ED Annotated Anodyne CCSc1nnc(NC(=O)[C@@H]2NNC(=O)[C@@H]3CCCC[C@@H]32)s1 ZINC000618014949 ED Annotated Anodyne CCSc1nnc(NC(=O)[C@@H]2NNC(=O)[C@H]3CCCC[C@H]32)s1 ZINC000618014951 ED Annotated Anodyne CCSc1nnc(NC(=O)[C@@H]2NNC(=O)[C@@H]3CCCC[C@H]32)s1 ZINC000618014952 ED Annotated Anodyne CCSc1nnc(NC(=O)[C@@H]2NNC(=O)[C@H]3CCCC[C@@H]32)s1 ZINC000618014953 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccccc1 ZINC000618015094 ED Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccccc1 ZINC000618015095 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1ccccc1 ZINC000618015096 ED Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1ccccc1 ZINC000618015097 ED Annotated Anodyne CCCN(CCC)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618015124 ED Annotated Anodyne CCCN(CCC)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618015125 ED Annotated Anodyne CCCN(CCC)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618015126 ED Annotated Anodyne CCCN(CCC)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618015127 ED Annotated Anodyne CCn1cc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)cn1 ZINC000618015156 ED Annotated Anodyne CCn1cc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)cn1 ZINC000618015157 ED Annotated Anodyne CCn1cc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)cn1 ZINC000618015162 ED Annotated Anodyne CCn1cc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)cn1 ZINC000618015167 ED Annotated Anodyne Cc1csc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)n1 ZINC000618015205 ED Annotated Anodyne Cc1csc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)n1 ZINC000618015206 ED Annotated Anodyne Cc1csc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)n1 ZINC000618015207 ED Annotated Anodyne Cc1csc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)n1 ZINC000618015208 ED Annotated Anodyne CCCN1C(=O)C(=O)N[C@@H]2C[C@H](c3noc(-c4ccco4)n3)CC[C@H]21 ZINC000618016498 ED Annotated Anodyne CCCN1C(=O)C(=O)N[C@@H]2C[C@@H](c3noc(-c4ccco4)n3)CC[C@H]21 ZINC000618016499 ED Annotated Anodyne CCCN1C(=O)C(=O)N[C@@H]2C[C@@H](c3noc(-c4ccco4)n3)CC[C@@H]21 ZINC000618016500 ED Annotated Anodyne CCCN1C(=O)C(=O)N[C@@H]2C[C@H](c3noc(-c4ccco4)n3)CC[C@@H]21 ZINC000618016501 ED Annotated Anodyne Cc1[nH]nc2ncc(C(=O)NCCSSCCN(C)C)cc12 ZINC000618016698 ED Annotated Reactive O=C(CCn1nnc2ccccc21)N1CCNC[C@@H]1c1ccccc1 ZINC000618016766 ED Annotated Anodyne O=C(CCn1nnc2ccccc21)N1CCNC[C@H]1c1ccccc1 ZINC000618016770 ED Annotated Anodyne Cc1noc(C)c1-c1cc(CC2CCN(CCC(N)=O)CC2)ncn1 ZINC000618016868 ED Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCC3)no2)CC1 ZINC000618017017 ED Annotated Anodyne CN(C)CCSSCCCNC(=O)CCN1CCCC1=O ZINC000618017090 ED Annotated Reactive C=CS(=O)(=O)N1CCN(C(=O)c2cc(CC(C)C)no2)CC1 ZINC000618017110 ED Annotated Anodyne C=CS(=O)(=O)NCCNC(=O)c1cc(C2CCCCC2)no1 ZINC000618017301 ED Annotated Anodyne CN(C)CCSSCCCNC(=O)C1=NN[C@@H]2CCCC[C@@H]12 ZINC000618017517 ED Annotated Reactive CN(C)CCSSCCNC(=O)c1ccn2ncnc2c1 ZINC000618017519 ED Annotated Reactive CN(C)CCSSCCCNC(=O)C1=NN[C@H]2CCCC[C@@H]12 ZINC000618017520 ED Annotated Reactive CN(C)CCSSCCCNC(=O)C1=NN[C@@H]2CCCC[C@H]12 ZINC000618017553 ED Annotated Reactive CN(C)CCSSCCCNC(=O)C1=NN[C@H]2CCCC[C@H]12 ZINC000618017555 ED Annotated Reactive C=CS(=O)(=O)N1CCN(C(=O)c2cc(C(CC)CC)no2)CC1 ZINC000618017716 ED Annotated Anodyne CN(C)CCSSCCNC(=O)c1ccc2nc(O)[nH]c2c1 ZINC000618017721 ED Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc2nc[nH]c2n1 ZINC000618017798 ED Annotated Reactive C=CS(=O)(=O)NC1CN(C(=O)c2cc(C3CCCCC3)no2)C1 ZINC000618017840 ED Annotated Anodyne CN(C)CCSSCCNC(=O)c1ccc2[nH]nc(O)c2c1 ZINC000618017860 ED Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc2[nH]nc(N)c2c1 ZINC000618018180 ED Annotated Reactive CN(C)CCSSCCC(=O)NCc1ccc2nn[nH]c2c1 ZINC000618018235 ED Annotated Reactive C=CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 ZINC000618018257 ED Annotated Anodyne CN(C)CCSSCCNC(=O)c1cnc2[nH]cnc2c1 ZINC000618018332 ED Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc2c(O)n[nH]c2c1 ZINC000618018352 ED Annotated Reactive O=C(NCc1nnc2n1CCCC2)c1cc(O)n(-c2ccccc2)n1 ZINC000618020151 ED Annotated Anodyne CN(C)[C@@H]1[C@@H](NC(=O)c2cc(O)n(-c3ccccc3)n2)[C@H]2CCO[C@H]21 ZINC000618020170 ED Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cn2)CC1 ZINC000618020174 ED Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000618020220 ED Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)nc2)CC1 ZINC000618020228 ED Annotated Anodyne Cc1nnc(CCNC(=O)c2cc(O)n(-c3ccccc3)n2)s1 ZINC000618020306 ED Annotated Anodyne CCOC(=O)Cc1ccc(C#C[C@H]2CN3CC[C@@H]2C[C@H]3CO)cc1 ZINC000062133722 ED Annotated Mild CCOC(=O)Cc1ccc(C#C[C@H]2CN3CC[C@H]2C[C@H]3CO)cc1 ZINC000062133723 ED Annotated Mild N#Cc1cnc(Nc2ccc(CN3CCN(CCO)CC3)cn2)s1 ZINC000062232910 ED Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000062235266 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000062235267 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000062235942 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000062235945 ED Annotated Mild in-man COC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N(C)C)cc1OC(C)C ZINC000062241570 ED Annotated Anodyne CN=c1nc(OC)[nH]c(=NCc2ccccc2N2CCCCC2)[nH]1 ZINC000621430225 ED Annotated Anodyne Cc1nn(CC(=O)N(C)C[C@H]2CCCNC2)c(=O)c2ccccc12 ZINC000621430382 ED Annotated Anodyne Cc1nn(CC(=O)N(C)C[C@@H]2CCCNC2)c(=O)c2ccccc12 ZINC000621430383 ED Annotated Anodyne Cc1c(CCS(C)(=O)=O)c(O)n2c(nc3ccccc32)c1C#N ZINC000621430799 ED Annotated Mild NC(=O)c1sc2cncc(N3CCC4(CC3)OCCO4)c2c1N ZINC000621431254 ED Annotated Anodyne CC1=CC[C@]23O[C@@]2(C)CC[C@H]2[C@@H](CN4CCOCC4)C(=O)O[C@@H]2[C@H]13 ZINC000621431311 ED Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)n1ccnc1)O2 ZINC000621434318 ED Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@H]1C(=O)n1ccnc1)O2 ZINC000621434319 ED Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@@H]1C(=O)n1ccnc1)O2 ZINC000621434320 ED Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1cc(C(F)(F)F)cc2nc[nH]c12 ZINC000621477849 ED Annotated Anodyne O=C(Nc1nn[nH]n1)[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000621478312 ED Annotated Anodyne O=C(Nc1nn[nH]n1)[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000621478313 ED Annotated Anodyne O=C(Nc1nn[nH]n1)[C@@H](c1ccccc1)[S@](=O)c1ccccc1 ZINC000621478522 ED Annotated Anodyne O=C(Nc1nn[nH]n1)[C@H](c1ccccc1)[S@@](=O)c1ccccc1 ZINC000621478523 ED Annotated Anodyne O=C(Nc1nn[nH]n1)[C@H](c1ccccc1)[S@](=O)c1ccccc1 ZINC000621478524 ED Annotated Anodyne O=C(Nc1nn[nH]n1)[C@@H](c1ccccc1)[S@@](=O)c1ccccc1 ZINC000621478525 ED Annotated Anodyne C=CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000621485766 ED Annotated Mild C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccccc2OC)C1 ZINC000621485824 ED Annotated Anodyne CN(C)CCSSCCNC(=O)c1ccn2ccnc2n1 ZINC000621485861 ED Annotated Reactive C[C@]1(O)CC(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 ZINC000062611524 ED Annotated Anodyne in-vitro C[C@]1(O)CC(=O)[C@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 ZINC000062611532 ED Annotated Anodyne in-vitro CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1 ZINC000063298058 ED Annotated Anodyne Cc1c(Cl)c(N2CC[C@H](CN)C2)nc2ncc(C(=O)O)c(O)c12 ZINC000063298541 ED Annotated Anodyne Cc1c(Cl)c(N2CC[C@@H](CN)C2)nc2ncc(C(=O)O)c(O)c12 ZINC000063298542 ED Annotated Anodyne Nc1cc(Nc2ccc(O)c(CNC(=O)C(F)(F)F)c2)ncn1 ZINC000063539271 ED Annotated Clean CN(C)CCCN(C)C(=O)[C@@H]1Cc2[nH]cnc2C2(CCCCC2)N1 ZINC000063539346 ED Annotated Anodyne CN(C)CCCN(C)C(=O)[C@H]1Cc2[nH]cnc2C2(CCCCC2)N1 ZINC000063539348 ED Annotated Anodyne Cc1nsc(NC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)n1 ZINC000063856843 ED Annotated Anodyne CCN(CC)CCn1c(NC(=O)C2=NC(=O)N=N2)nc2ccccc21 ZINC000063944386 ED Annotated Anodyne COC(=O)[C@@H]1CCCN1Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000064143706 ED Annotated Anodyne CC[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1 ZINC000064447917 ED Annotated Anodyne CC(=O)OC[C@H](C)[C@]12C=C[C@](C)(OO1)[C@H]1C[C@H](O)[C@H](C)[C@H]1[C@H]2O ZINC000064448290 ED Annotated Reactive CO[C@H]1C=C2CCN(C)[C@@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000064448590 ED Annotated Anodyne CCOC(=O)c1cnn2c1n[n+]([O-])c1cc(C(F)(F)F)ccc12 ZINC000064448737 ED Annotated Anodyne CCOC(=O)c1cnn2c1n[n+]([O-])c1ccc(C(F)(F)F)cc12 ZINC000064453816 ED Annotated Anodyne O=C(NCCc1ccccc1)NN1CN[C@H](Cc2ccccc2)C1=O ZINC000064470300 ED Annotated Anodyne O=C(NCCc1ccccc1)NN1CN[C@@H](Cc2ccccc2)C1=O ZINC000064470302 ED Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CN4CCOCC4)nn3)c2c1 ZINC000064475050 ED Annotated Anodyne Clc1ccccc1CN(CCn1cncn1)CCn1cncn1 ZINC000064475202 ED Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C(=O)O)CCC[C@H]1N(CCCl)CCCl ZINC000064475258 ED Annotated Reactive CC(=O)O[C@H]1[C@@H](C(=O)O)CCC[C@@H]1N(CCCl)CCCl ZINC000064479765 ED Annotated Reactive O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccccc1O ZINC000064479817 ED Annotated Reactive CN(C)C1=C(Cl)C(=O)N(c2nc(Cc3ccccc3)n[nH]2)C1=O ZINC000064481085 ED Annotated Anodyne CC(C)[C@]12O[C@H]1C=C1[C@@]3(C)CCC4=C(COC4=O)[C@H]3C[C@@H]3O[C@]13[C@@H]2O ZINC000064503791 ED Annotated Anodyne O=C(c1cc(O)c(O)c(O)c1)c1c[nH]c(-c2cc(O)c(O)c(O)c2)n1 ZINC000064512135 ED Annotated Clean CC(C)[C@]12O[C@H]1C=C1[C@@]3(C)CCC4=C(COC4=O)[C@@H]3C[C@@H]3O[C@]13[C@@H]2O ZINC000064512615 ED Annotated Anodyne CC(C)[C@]12O[C@H]1C=C1[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@H]2O ZINC000064512617 ED Annotated Anodyne O=C(c1cc(O)c(O)c(O)c1)c1c[nH]c(-c2ccc(O)c(O)c2)n1 ZINC000064513582 ED Annotated Clean CC1(C)O[C@@H]2[C@]3(CCC[C@@H]4[C@@H]5[C@H]6[C@H](C=C(CO)[C@@]2(O)[C@@]463)OC5(C)C)O1 ZINC000064513676 ED Annotated Anodyne CC(C)[C@]12O[C@H]1C=C1[C@@]3(C)CCC4=C(CNC4=O)[C@@H]3C[C@@H]3O[C@]13C2=O ZINC000064513758 ED Annotated Anodyne Nc1nc(CCCc2cn(CC(=O)NCc3ccccc3)nn2)c[nH]1 ZINC000064527548 ED Annotated Anodyne Nc1nc(CCCc2cn(CC(=O)Nc3ccccc3)nn2)c[nH]1 ZINC000064528205 ED Annotated Anodyne NCCCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1 ZINC000064528422 ED Annotated Anodyne NS(=O)(=O)c1ccc(Nc2ncc(-c3ccc(=O)[nH]c3)o2)cc1 ZINC000064539295 ED Annotated Anodyne COc1ncccc1-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O ZINC000064540129 ED Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3cc[nH]n3)CC2)nc1 ZINC000064540357 ED Annotated Anodyne COc1cc(-c2nc3c(C)nc(N)nc3n(C(C)C)c2=O)ccn1 ZINC000064540449 ED Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C\c2ccccc2O)s1 ZINC000064548402 ED Annotated Mild CCN(CC)CCSc1nncc(-c2cnnc(SC)n2)n1 ZINC000064548788 ED Annotated Anodyne OCCCN[C@@H]1CC(=S)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2C1 ZINC000064549760 ED Annotated Anodyne O=C(N/N=C/c1ccc(O)c(O)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000064553067 ED Annotated Reactive CCOC(=O)c1c2c(n3cc(C)ccc13)C(=O)c1cnncc1C2=O ZINC000064553553 ED Annotated Clean CCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1cnncc1C2=O ZINC000064553586 ED Annotated Clean NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O ZINC000064553610 ED Annotated Anodyne O=C(O)c1ccccc1C(=O)NN1CN[C@H](Cc2ccccc2)C1=O ZINC000064553691 ED Annotated Anodyne O=C(O)c1ccccc1C(=O)NN1CN[C@@H](Cc2ccccc2)C1=O ZINC000064553694 ED Annotated Anodyne CC(C)C[C@@H]1C(=O)N(NC(=O)CCC(=O)O)CN1Cc1ccccc1 ZINC000064553959 ED Annotated Anodyne CC(C)C[C@H]1C(=O)N(NC(=O)CCC(=O)O)CN1Cc1ccccc1 ZINC000064553961 ED Annotated Anodyne COc1cc(OC)cc(C(=O)On2nnc3ccc(OC)cc32)c1 ZINC000064559097 ED Annotated Unstable CCOC(=O)c1c2c(n3cccc(O)c13)C(=O)c1cnncc1C2=O ZINC000064564714 ED Annotated Clean O=C(COCc1ccncc1)N1CCN(c2cc(Cl)ccn2)CC1 ZINC000064573328 ED Annotated Anodyne CC1(C)C[C@H](COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000064633678 ED Annotated Mild in-vitro CC1(C)C[C@@H](COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000064633679 ED Annotated Mild in-vitro COc1cccc(Cc2n[nH]c(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)c1 ZINC000064675638 ED Annotated Anodyne COc1ccc(Cc2n[nH]c(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1 ZINC000064728413 ED Annotated Anodyne O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000064744380 ED Annotated Anodyne CCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064746296 ED Annotated Anodyne CCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064746298 ED Annotated Anodyne c1ccc2c3c([nH]c2c1)CN[C@H](Cn1cc(COC[C@H]2CO2)nn1)C3 ZINC000064750241 ED Annotated Anodyne NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000006511382 ED Annotated Reactive O=C1CC[C@H](O)Cc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H]1O ZINC000006511530 ED Annotated Anodyne Cc1c(N(C)CCN)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520740 ED Annotated Anodyne Cc1cc(S(=O)(=O)NC2=NC[C@H](C)NN2)c(S)cc1Cl ZINC000006521601 ED Annotated Anodyne Cc1cc(S(=O)(=O)NC2=NC[C@@H](C)NN2)c(S)cc1Cl ZINC000006521602 ED Annotated Anodyne Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=O)n2OCCCO)c1 ZINC000006521934 ED Annotated Anodyne COc1cc(C)c2ccc(O)c(C(=O)OC3[C@@H](O)C=C[C@H]3O)c2c1 ZINC000006521997 ED Annotated Anodyne Cn1nc2ccc(Nc3cc(=O)[nH]c4ccc5nn(C)nc5c34)cc2n1 ZINC000006523611 ED Annotated Anodyne O=C(O)c1cc(C2CC2)c2cc(N3CCNCC3)c(F)cn2c1=O ZINC000006524358 ED Annotated Anodyne O=C(O)c1cc(C2CC2)c2nc(N3CCOCC3)c(F)cn2c1=O ZINC000006524371 ED Annotated Anodyne Clc1ccc2c(N3CCOCC3)cc(N3CCOCC3)nc2n1 ZINC000006536568 ED Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(N)=O)C2=O)cc1 ZINC000006566244 ED Annotated Anodyne CSc1ccc([C@H]2[C@@]3(C#N)C(N)=NC4(OCCO4)[C@@]23C#N)cc1 ZINC000006576658 ED Annotated Mild CCOC(=O)[C@H]1[C@H](c2ccc(C)o2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000006576699 ED Annotated Anodyne COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccccc1F ZINC000006576930 ED Annotated Anodyne O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1 ZINC000006627518 ED Annotated Bother O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCCO1 ZINC000006627526 ED Annotated Bother Cc1cc(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)n[nH]1 ZINC000006723755 ED Annotated Anodyne CN(C)c1ccc(N)cc1CN(C[C@@H]1CCCO1)S(C)(=O)=O ZINC000006724036 ED Annotated Anodyne CN(C)c1ccc(N)cc1CN(C[C@H]1CCCO1)S(C)(=O)=O ZINC000006724037 ED Annotated Anodyne O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCC1 ZINC000006732937 ED Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(N2Cc3nccnc3C2=O)c1 ZINC000006737218 ED Annotated Anodyne O=C(c1ccco1)N1CCN(c2c3c(nc4nncn24)CCC3)CC1 ZINC000006742990 ED Annotated Anodyne CCc1nn(CC(=O)NC(C)C)c(=O)c2cc3c(OC)cccc3n12 ZINC000006749816 ED Annotated Anodyne CCOC(=O)CCc1c(C)nn(-c2ccc3nnc(C)n3n2)c1C ZINC000006769746 ED Annotated Anodyne CC(=O)N1CCOc2ccc(S(=O)(=O)Nc3ncccc3C)cc21 ZINC000006778630 ED Annotated Anodyne CC(=O)N1CCOc2ccc(S(=O)(=O)Nc3ccc(C)cn3)cc21 ZINC000006778636 ED Annotated Anodyne CC[C@H](C)NC(=O)CCCc1nnc2n(C)c(=O)c3sccc3n12 ZINC000006780085 ED Annotated Anodyne O=C(Cn1ncn2cccc2c1=O)NCCc1ccc(Cl)cc1 ZINC000006799482 ED Annotated Anodyne C[C@@H](C(=O)NCCN1CCCCCC1)n1ncn2cccc2c1=O ZINC000006799750 ED Annotated Anodyne C[C@H](C(=O)NCCN1CCCCCC1)n1ncn2cccc2c1=O ZINC000006799751 ED Annotated Anodyne CC(C)CCNC(=O)CCc1nnc2n(C)c(=O)c3ccccc3n12 ZINC000006803121 ED Annotated Anodyne Cc1cc(=O)n2nc(N(C)CC(=O)NCc3cccs3)sc2n1 ZINC000006807297 ED Annotated Anodyne CC[C@@H](C)NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839517 ED Annotated Anodyne CC[C@H](C)NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839518 ED Annotated Anodyne CC(C)NC(=O)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000006877502 ED Annotated Anodyne CC(C)NC(=O)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000006877503 ED Annotated Anodyne CCC1=NC(=N)N=C(N)C1=c1ccc2c(c1)N(O)N(c1ccccc1)N=2 ZINC000006891197 ED Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000006893634 ED Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000006893635 ED Annotated Anodyne CNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 ZINC000006893741 ED Annotated Anodyne O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n12)N1CCCC1 ZINC000006915792 ED Annotated Clean CCN(CC)C(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(C)c21 ZINC000006916439 ED Annotated Anodyne CCN(CC)CCCNC(=O)CCc1c(C)nn2cnnc2c1C ZINC000006917552 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)O)cn2C ZINC000006919129 ED Annotated Anodyne CN1CC(=O)N=C1/N=C(\O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006939644 ED Annotated Mild CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1 ZINC000006973981 ED Annotated Anodyne COc1ccc(OC)c([C@@H]2CCN(S(=O)(=O)c3c[nH]cn3)C2)c1 ZINC000006974095 ED Annotated Anodyne COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3c[nH]cn3)C2)c1 ZINC000006974096 ED Annotated Anodyne CCCCNC(=O)C(=O)N/N=C/c1cccc(Br)c1 ZINC000006998847 ED Annotated Reactive Cc1ccc(-c2cc(CS(=O)(=O)N[C@H]3CCCNC3=O)on2)cc1 ZINC000065265097 ED Annotated Anodyne C[C@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1cn2ncsc2n1 ZINC000065393613 ED Annotated Anodyne C[C@@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1cn2ncsc2n1 ZINC000065393614 ED Annotated Anodyne COCCN(Cc1sccc1C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000065453522 ED Annotated Anodyne COCCN(Cc1sccc1C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000065453527 ED Annotated Anodyne N=c1nc(N2CCC(C(=O)O)CC2)c2c([nH]1)[nH]c1ccc(O)cc12 ZINC000653606718 ED Annotated Anodyne O=c1cc(-c2ccc3nn[nH]c3c2)nc2nc(Cc3ccccc3)[nH]n12 ZINC000653628364 ED Annotated Anodyne O=c1cc(-c2ccc3nn[nH]c3c2)nc2nc(-c3ccccn3)[nH]n12 ZINC000653631975 ED Annotated Anodyne CNC(=O)Cc1cnn2c(=O)cc(-c3ccc(Cl)c(OC)c3)[nH]c12 ZINC000653631976 ED Annotated Anodyne Nc1ncc(-c2cc(C34CC(CN3)C4)nc(N3CC4CC3C4)n2)cn1 ZINC000653663075 ED Annotated Anodyne Nc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccn1 ZINC000653665242 ED Annotated Anodyne CCCNC(=O)c1cnn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c12 ZINC000653667435 ED Annotated Anodyne Cc1noc(-c2cnn3c(=O)cc(-c4ccc5c(cnn5C)c4)[nH]c23)n1 ZINC000653668353 ED Annotated Anodyne COc1cc([N+](=O)[O-])cc(-c2nc(SCC(=O)O)n[nH]2)c1O ZINC000653675522 ED Annotated Bother NC(=O)COc1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O ZINC000653678772 ED Annotated Anodyne COc1cc(-c2nc(SCC(=O)O)n[nH]2)cc([N+](=O)[O-])c1O ZINC000653680388 ED Annotated Bother CN(/N=C/c1cccc(C(=O)NO)c1)C(=O)c1ccc(N(C)C)cc1 ZINC000653687494 ED Annotated Reactive O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)C[C@H](O)C[C@H]1O ZINC000653697823 ED Annotated Anodyne Cc1nc2c([N+](=O)[O-])c(F)c(F)cc2n1Cc1ccc(B(O)O)cc1 ZINC000653699329 ED Annotated Reactive CCOC(=O)c1[nH]c2ccccc2c1CNNC(=O)C1CCNCC1 ZINC000653699610 ED Annotated Reactive COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1N ZINC000653701029 ED Annotated Bother CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)C(=O)NC(=O)C3)c1 ZINC000653704591 ED Annotated Anodyne COc1cc(OC)c2c(=O)cc(NCCCN3CCOCC3)oc2c1 ZINC000653708716 ED Annotated Anodyne NCCNC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O ZINC000653713042 ED Annotated Anodyne N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCO)c2nc1C#N ZINC000653714195 ED Annotated Mild CC/C=C/C[C@H](O)/C=C/[C@H](O)[C@H](O)[C@H](O)CCCCC[C@H](C)O ZINC000653715447 ED Annotated Anodyne O=C1O[C@H]2C(=O)N3CCC[C@]45CC[C@@]6(Nc7ccccc7[C@@]26[C@@H]34)[C@@H]1C5 ZINC000653721958 ED Annotated Anodyne O=C1O[C@@H]2C(=O)N3CCC[C@]45CC[C@@]6(Nc7ccccc7[C@@]26[C@@H]34)[C@@H]1C5 ZINC000653721959 ED Annotated Anodyne C[C@]1(COc2ccc(C(F)(F)F)nn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653724610 ED Annotated Bother C[C@@]1(COc2ccc(C(F)(F)F)nn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653724611 ED Annotated Bother C[C@]1(COc2cnc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653725556 ED Annotated Bother C[C@@]1(COc2cnc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653725557 ED Annotated Bother C[C@]1(COc2ncc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653725600 ED Annotated Bother C[C@@]1(COc2ncc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653725601 ED Annotated Bother CNC(=O)c1cnc(-c2c(N[C@@H]3CC[C@H](N)CC3)ccnc2O)[nH]1 ZINC000653726359 ED Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)CC(=O)NC3=O)c1 ZINC000653726442 ED Annotated Anodyne CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(F)ccc21 ZINC000653732479 ED Annotated Mild Cc1ccccc1N1CCN(C(=O)CN2C(=O)C[C@H](C)C2=O)CC1 ZINC000653739174 ED Annotated Anodyne Cc1ccccc1N1CCN(C(=O)CN2C(=O)C[C@@H](C)C2=O)CC1 ZINC000653739175 ED Annotated Anodyne COC(=O)c1nc(C)c2c(c1N)[C@H](O)N(Cc1ccccc1)C2=O ZINC000653747958 ED Annotated Anodyne COC(=O)c1nc(C)c2c(c1N)[C@@H](O)N(Cc1ccccc1)C2=O ZINC000653747959 ED Annotated Anodyne CCOC(=O)c1ncc2c(c1N)C(=O)N(Cc1ccccc1)C2=O ZINC000653748030 ED Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@@H](c1nc(N3CCOCC3)no1)C2 ZINC000653751512 ED Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@H](c1nc(N3CCOCC3)no1)C2 ZINC000653751513 ED Annotated Anodyne Cc1[nH]nc(O)c1[C@@H](c1ccc(F)cc1)c1c(O)nc(O)nc1O ZINC000653754322 ED Annotated Anodyne CCOC(=O)c1nc(C)c2c(c1N)C(=O)N(Cc1ccccc1)[C@H]2O ZINC000653754908 ED Annotated Anodyne CCOC(=O)c1nc(C)c2c(c1N)C(=O)N(Cc1ccccc1)[C@@H]2O ZINC000653754909 ED Annotated Anodyne O=S1(=O)CCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000653757084 ED Annotated Anodyne O=S1(=O)CCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000653757085 ED Annotated Anodyne CC(C)(C)NC(=O)Nn1c(CO[N+](=O)[O-])nc2ccccc2c1=O ZINC000653757380 ED Annotated Anodyne Cc1nc(C(=O)N(C)C)c(N)c2c1C(=O)N(Cc1ccccc1)C2=O ZINC000653757866 ED Annotated Anodyne Cc1[nH]nc(O)c1[C@@H](c1cccc(O)c1)c1c(O)nc(O)nc1O ZINC000653758599 ED Annotated Anodyne COc1ccc([C@@H](c2c(O)nc(O)nc2O)c2c(O)n[nH]c2C)cc1 ZINC000653758729 ED Annotated Anodyne C=C(COC(C)=O)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1 ZINC000653759967 ED Annotated Mild Cc1ccc2c(c1)[C@](O)(Cc1nn[nH]n1)C(=O)N2Cc1ccccc1 ZINC000653760745 ED Annotated Anodyne Cc1ccc2c(c1)[C@@](O)(Cc1nn[nH]n1)C(=O)N2Cc1ccccc1 ZINC000653760747 ED Annotated Anodyne CC(=O)OC1=CC(=O)C2=C(C1=O)[C@]13CCC[C@](C)(C(=O)OC1)[C@@H]3C=C2 ZINC000653762416 ED Annotated Mild COC(=O)c1nc(C)c2c(c1N)C(=O)N(Cc1ccccc1)C2=O ZINC000653764326 ED Annotated Anodyne Nc1ncc(-c2cc([C@H]3[C@@H]4COC[C@@H]43)nc(N3CC4CC3C4)n2)cn1 ZINC000653767528 ED Annotated Anodyne CS(=O)(=O)N1CC[C@@H]([C@H]2Cc3nc(O)c4ccccc4c3CO2)C1 ZINC000653767986 ED Annotated Anodyne CS(=O)(=O)N1CC[C@H]([C@H]2Cc3nc(O)c4ccccc4c3CO2)C1 ZINC000653767987 ED Annotated Anodyne C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CNC1CCCCCCCCCCC1 ZINC000653773236 ED Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)nc2)nc(C2CC2)n1 ZINC000653775389 ED Annotated Anodyne O=S1(=O)NCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000653775510 ED Annotated Anodyne O=S1(=O)NCCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000653775511 ED Annotated Anodyne CCOC(=O)c1nc(C)c2c(c1N)C(=O)N(Cc1ccccc1)C2=O ZINC000653778085 ED Annotated Anodyne COc1ccccc1[C@@H](c1c(O)nc(O)nc1O)c1c(O)n[nH]c1C ZINC000653779532 ED Annotated Anodyne C[C@]12C(=O)O[C@@H]3Cc4c(cc(O)c5ccoc45)[C@@]4(CC[C@@]1(O)OC4)[C@@H]32 ZINC000653779579 ED Annotated Anodyne C[C@@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3cccc(F)c3)CC2)C1=O ZINC000653780427 ED Annotated Anodyne C[C@@H](C(=O)N1CCN(c2cccc(F)c2)CC1)N1C(=O)C[C@@H](C)C1=O ZINC000653780428 ED Annotated Anodyne C[C@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3cccc(F)c3)CC2)C1=O ZINC000653780429 ED Annotated Anodyne C[C@H]1CC(=O)N([C@@H](C)C(=O)N2CCN(c3cccc(F)c3)CC2)C1=O ZINC000653780430 ED Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@H](C)N3C(=O)C[C@@H](C)C3=O)CC2)c1 ZINC000653780474 ED Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@H](C)N3C(=O)C[C@H](C)C3=O)CC2)c1 ZINC000653780475 ED Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@@H](C)N3C(=O)C[C@@H](C)C3=O)CC2)c1 ZINC000653780476 ED Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@@H](C)N3C(=O)C[C@H](C)C3=O)CC2)c1 ZINC000653780477 ED Annotated Anodyne CC/C(C)=N/N=C1\SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653782563 ED Annotated Mild CC(C)=N/N=C1\SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653782588 ED Annotated Mild C[C@]12C(=O)OC[C@@]3(CC[C@@H]1O)[C@@H]1CC(=O)c4ccoc4[C@@H]1C[C@@H](O)[C@H]32 ZINC000653782619 ED Annotated Anodyne CN(C)S(=O)(=O)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1 ZINC000653788965 ED Annotated Mild N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(F)c(F)cc12 ZINC000653792847 ED Annotated Anodyne N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc3c(cc12)OCCO3 ZINC000653792853 ED Annotated Anodyne CCOC(=O)c1cn(CC)c2ccc(-n3cc(CO)nn3)cc2c1=O ZINC000653793232 ED Annotated Anodyne CCOC(=O)c1cn(CC)c2cc(-n3cc(CO)nn3)ccc2c1=O ZINC000653793251 ED Annotated Anodyne COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccc(OC)cc3)[C@@H]12 ZINC000653794077 ED Annotated Anodyne COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccc(C#N)cc3)[C@@H]12 ZINC000653794099 ED Annotated Mild C[C@@H]1CN2C[C@H]3CC[C@]4(O)C[C@H](O)C5=C4[C@@]4(CC5)C(=O)[C@H]1C[C@@H]2[C@@]34C ZINC000653794128 ED Annotated Anodyne COc1ccc(C2=NO[C@@H]3[C@H](C(=O)O)C[C@H](C(=O)O)[C@H]23)cc1OC ZINC000653794130 ED Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)N3CCOCC3)cc12 ZINC000653795022 ED Annotated Bother N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(Cl)c(N)cc12 ZINC000653795251 ED Annotated Anodyne CCOC(=O)c1cc(=O)c(=O)c2oc3cc(N(C)C)ccc3[nH]c1=2 ZINC000653795841 ED Annotated Bother NS(=O)(=O)c1ccc(N2N=C(C(=O)O)C[C@@H]2c2ccco2)cc1 ZINC000653801634 ED Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(=O)O)C[C@H]2c2ccco2)cc1 ZINC000653801635 ED Annotated Anodyne OC[C@@H]1C[C@H](CO)[C@@H]2C(c3ccc(Br)cc3)=NO[C@H]12 ZINC000653802169 ED Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@@H]4C(=O)C=C5CC[C@@]6(C(=O)[C@H]1C[C@@H]2[C@@]36C)[C@@]54O ZINC000653803706 ED Annotated Mild CC(=O)NCCSCC(=O)c1c(C)n(O)c2ccccc2[n+]1=O ZINC000653813307 ED Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(CN3CCOCC3)nc(O)c12 ZINC000653821192 ED Annotated Anodyne COc1cc(C#CC#CC2CC2)ccc1N1C[C@@H](C(=O)NO)OC1=O ZINC000653825376 ED Annotated Mild O=C(NO)[C@@H]1CN(c2ccc(C#CC#CC3CC3)c(F)c2)C(=O)O1 ZINC000653825395 ED Annotated Mild O=C(NO)[C@@H]1CN(c2ccc(C#CC#CC3CC3)cc2F)C(=O)O1 ZINC000653825419 ED Annotated Mild CC(C)Oc1cc2c(cc1NC(=O)[C@@H]1CCNC1)n(C)c(=O)n2C ZINC000653827656 ED Annotated Anodyne CC(C)Oc1cc2c(cc1NC(=O)[C@H]1CCNC1)n(C)c(=O)n2C ZINC000653827657 ED Annotated Anodyne O=c1ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc2n1CCO ZINC000653829334 ED Annotated Clean N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1 ZINC000653847631 ED Annotated Anodyne O=C(O)CN1CN(Cc2ccccc2)S(=O)(=O)c2cc(O)ccc21 ZINC000653850079 ED Annotated Anodyne COc1ccc(C(=O)Cc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)cc1 ZINC000653850811 ED Annotated Bother Cn1c(=O)ccc2cnc(N3CCN(c4ccc(F)cc4)CC3)nc21 ZINC000653852918 ED Annotated Anodyne Nc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1 ZINC000653869258 ED Annotated Clean O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1CCN1CCOCC1 ZINC000653869278 ED Annotated Bother O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1CCN1CCOCC1 ZINC000653869279 ED Annotated Bother COC(=O)C1=C[C@H](N)[C@@H](O)[C@H](OCc2ccc3sccc3c2)C1 ZINC000653870677 ED Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1 ZINC000653871740 ED Annotated Mild N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1 ZINC000653871743 ED Annotated Mild CNc1ncnc2c1nc(-c1cccs1)n2[C@@H]1SC[C@@H](O)[C@H]1O ZINC000653872988 ED Annotated Anodyne CC(=O)Nc1nc(N2CCC[C@H]2C(=O)OC(C)(C)C)c2nc[nH]c2n1 ZINC000653878873 ED Annotated Anodyne COc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN1CC(N)C1 ZINC000653882228 ED Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC[C@@H](CO)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000653882376 ED Annotated Mild C=C(C)C(=O)OC/C1=C\CC[C@]2(C)O[C@H]2[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2C1 ZINC000653884774 ED Annotated Mild C=C1C[C@]2(OC1=O)C(=O)Nc1ccc(I)cc12 ZINC000653893440 ED Annotated Mild C=C1C[C@@]2(OC1=O)C(=O)Nc1ccc(I)cc12 ZINC000653893441 ED Annotated Mild O[C@@H]1CS[C@@H](n2c(-c3ccco3)nc3c(Cl)ncnc32)[C@@H]1O ZINC000653893444 ED Annotated Anodyne NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1 ZINC000653897474 ED Annotated Anodyne CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc[nH]c23)c1 ZINC000653907641 ED Annotated Anodyne Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@H]4CC[C@H]3CN4)nc21 ZINC000653912916 ED Annotated Anodyne CC(C)(C)OC(=O)NCCNCC1=C(O)C(=O)c2ccccc2C1=O ZINC000653913857 ED Annotated Mild COc1ccc2cc(/C=C3\SC(=S)NC3=O)c3nnnn3c2c1 ZINC000653917177 ED Annotated Clean COc1ccc2c(c1)cc(/C=C1\SC(=S)NC1=O)c1nnnn12 ZINC000653917178 ED Annotated Clean Cc1cnc(C(=O)NN2C(=O)CS[C@H]2c2ccc(O)cc2)cn1 ZINC000653918458 ED Annotated Anodyne Cc1cnc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(O)cc2)cn1 ZINC000653918459 ED Annotated Anodyne Nc1nccnc1C(=O)NN1C(=O)CS[C@H]1c1ccc(F)cc1 ZINC000653918462 ED Annotated Anodyne Nc1nccnc1C(=O)NN1C(=O)CS[C@@H]1c1ccc(F)cc1 ZINC000653918464 ED Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2cnc(C)cn2)cc1 ZINC000653918507 ED Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)c2cnc(C)cn2)cc1 ZINC000653918508 ED Annotated Anodyne O=C(NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000653918537 ED Annotated Bother Cn1c(-c2cc3n(n2)CCCN(CC(=O)O)C3)nc2ccccc21 ZINC000065530970 ED Annotated Anodyne O=C(O)c1cc(CN2CCc3cnccc3C2)c2ccccn2c1=O ZINC000066066064 ED Annotated Anodyne CNc1nn2c(CO)cc(C)nc2c1S(=O)(=O)c1ccccc1 ZINC000066066121 ED Annotated Anodyne C[C@@H](O)[C@H](C(=O)NO)N1Cc2cc(-c3ccccc3)ccc2C1=O ZINC000066066207 ED Annotated Bother CCNC(=O)Oc1ccc(Oc2ncnc(N)c2/C=N/OC)cc1 ZINC000066066412 ED Annotated Mild O=C1c2cc3cccnc3n2C(=O)N1S(=O)(=O)c1ccccc1 ZINC000066074063 ED Annotated Anodyne N[C@H](Cc1cc(F)ccc1F)C1CCN(c2cnc(=O)[nH]c2)CC1 ZINC000066074502 ED Annotated Anodyne CC[C@H](C)[C@H](NC(=O)[C@H]1SC(C)(C)S[C@H]1C(=O)O)C(=O)O ZINC000066074900 ED Annotated Anodyne CC[C@H](C)[C@H](NC(=O)[C@@H]1SC(C)(C)S[C@H]1C(=O)O)C(=O)O ZINC000066074902 ED Annotated Anodyne CC[C@H](C)[C@H](NC(=O)[C@H]1SC(C)(C)S[C@@H]1C(=O)O)C(=O)O ZINC000066074905 ED Annotated Anodyne CC[C@H](C)[C@H](NC(=O)[C@@H]1SC(C)(C)S[C@@H]1C(=O)O)C(=O)O ZINC000066074906 ED Annotated Anodyne CNc1nn2c(C)cc(CO)nc2c1S(=O)(=O)c1ccccc1 ZINC000066079256 ED Annotated Anodyne N[C@H]1CN(c2ncnc(-c3ccccc3)n2)C[C@@H]1N1CCCCC1=O ZINC000066079308 ED Annotated Anodyne O=C(O)c1cc(CN2CCc3ncncc3C2)c2ccccn2c1=O ZINC000066097810 ED Annotated Anodyne O=C(O)c1cc(CN2CCc3ccncc3C2)c2ccccn2c1=O ZINC000066097811 ED Annotated Anodyne O=C(O)c1cc(CN2CCc3ncccc3C2)c2ccccn2c1=O ZINC000066097814 ED Annotated Anodyne C=CCN1CCN(C(=O)c2nc3ccccc3nc2OCC)CC1 ZINC000066098988 ED Annotated Mild c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)nc1 ZINC000066099585 ED Annotated Anodyne c1cncc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 ZINC000066099586 ED Annotated Anodyne c1cc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)ccn1 ZINC000066099588 ED Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]([C@H](C)O)[C@@H]1C[C@H]23 ZINC000066100111 ED Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(F)(F)F)s1 ZINC000066101172 ED Annotated Anodyne CCN(CC)CN1C(=O)/C(=N\NC(=S)NO)c2cc(F)ccc21 ZINC000066101815 ED Annotated Mild CCN(CC)CN1C(=O)/C(=N\NC(=S)NO)c2cc(C)ccc21 ZINC000066101888 ED Annotated Mild C/C(=N\NC(=O)CC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000066102362 ED Annotated Reactive CCOC(=O)c1cn(CC2CC2)c2c(ccc3c2nnn3C)c1=O ZINC000066103103 ED Annotated Anodyne CCN(CC)CN1C(=O)/C(=N\NC(=S)NOC)c2cc(C)ccc21 ZINC000066103516 ED Annotated Mild CCCCCNc1nc(N2CCOCC2)c2ncn(CC(=O)O)c2n1 ZINC000066103870 ED Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(Br)s1 ZINC000066104659 ED Annotated Anodyne CC#Cc1c([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N ZINC000066104776 ED Annotated Mild CC#Cc1c([C@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N ZINC000066104778 ED Annotated Mild c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 ZINC000066111716 ED Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]([C@@H](C)O)[C@@H]1C[C@H]23 ZINC000066111719 ED Annotated Anodyne COc1ccc2c(c1)[n+](=O)nc(NCOCc1ccccc1)n2O ZINC000066122759 ED Annotated Anodyne CCOP(=O)(CC/C=C/Cn1cc(F)c(=O)[nH]c1=O)OCC ZINC000066156612 ED Annotated Anodyne CN(C)c1cccc(-c2ncnc(N3CCC(C(N)=O)CC3)n2)c1 ZINC000066166033 ED Annotated Anodyne Cc1nc(N)c2cc(CN(C)C)cc(C(=O)Nc3cc[nH]n3)c2n1 ZINC000066167132 ED Annotated Anodyne CN(OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066251407 ED Annotated Mild CCCNC(=O)c1nnc2c(-c3ncccn3)c(F)ccc2c1N ZINC000066252461 ED Annotated Anodyne Cc1nncnc1C[C@@H](c1ccc([N+](=O)[O-])cc1)[N+]1([O-])CCOCC1 ZINC000066252671 ED Annotated Bother Cc1nncnc1C[C@H](c1ccc([N+](=O)[O-])cc1)[N+]1([O-])CCOCC1 ZINC000066252672 ED Annotated Bother CCCc1cc(=O)[nH]c(N2NC(C)=C[C@H]2NC(=O)c2ccccc2)n1 ZINC000066258276 ED Annotated Anodyne CCCc1cc(=O)[nH]c(N2NC(C)=C[C@@H]2NC(=O)c2ccccc2)n1 ZINC000066258277 ED Annotated Anodyne CCCc1cc(=O)[nH]c(N2NC(C)=C[C@H]2NC(=O)c2cccs2)n1 ZINC000066258515 ED Annotated Anodyne CCCc1cc(=O)[nH]c(N2NC(C)=C[C@@H]2NC(=O)c2cccs2)n1 ZINC000066258516 ED Annotated Anodyne O=C(O)CN1CN(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000066258645 ED Annotated Anodyne CO[C@@H]1CC=C2NN(c3cncnc3)C(=O)C[C@]2(c2ccccc2)O1 ZINC000066259391 ED Annotated Anodyne CCc1cc(=O)[nH]c(N2NC(C)=C[C@H]2NC(=O)c2ccccc2F)n1 ZINC000066259759 ED Annotated Anodyne CCc1cc(=O)[nH]c(N2NC(C)=C[C@@H]2NC(=O)c2ccccc2F)n1 ZINC000066259760 ED Annotated Anodyne Nc1c(C(=O)N2CC(F)(F)C2)nnc2c(-c3ncccn3)cccc12 ZINC000066259859 ED Annotated Anodyne COc1cc(OC)cc(N2NC3=CC[C@@H](OC)O[C@@]3(C)CC2=O)c1 ZINC000066259877 ED Annotated Anodyne O=C(NCCc1ccccc1)N/N=C/c1ccc2no[n+]([O-])c2c1 ZINC000066260085 ED Annotated Reactive COc1ccc(C(=O)NN2C(=O)N[C@]3(CC3(C)C)C2=O)cc1OC ZINC000066260244 ED Annotated Anodyne COc1ccc(C(=O)NN2C(=O)N[C@@]3(CC3(C)C)C2=O)cc1OC ZINC000066260245 ED Annotated Anodyne Nc1nc(-c2ccc(F)cc2)c2sc(N3CCNCC3)nc2n1 ZINC000066262099 ED Annotated Anodyne CC1CN(C(=O)c2nnc3c(-c4ncccn4)c(F)ccc3c2N)C1 ZINC000066262164 ED Annotated Anodyne CN(Cc1nncn1C)C(=O)c1cc(COc2ccccc2)[nH]n1 ZINC000067432008 ED Annotated Anodyne COCCn1ccnc1CN1CCc2[nH]cnc2[C@@H]1c1ccccn1 ZINC000067447300 ED Annotated Anodyne COCCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1ccccn1 ZINC000067447301 ED Annotated Anodyne O=C(O)c1cn(C[C@H]2CCCN(c3cnc4ccccc4n3)C2)nn1 ZINC000067540176 ED Annotated Anodyne O=C(O)c1cn(C[C@@H]2CCCN(c3cnc4ccccc4n3)C2)nn1 ZINC000067540178 ED Annotated Anodyne Cc1cccc(=O)n1CCCNc1nc(N(C)C)nc2c1CCNC2 ZINC000067654510 ED Annotated Anodyne N#Cc1cnc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nc1N ZINC000067784430 ED Annotated Mild c1ccn2c([C@@H]3CCCN(c4ncnc5c4CCNC5)C3)nnc2c1 ZINC000067804699 ED Annotated Anodyne c1ccn2c([C@H]3CCCN(c4ncnc5c4CCNC5)C3)nnc2c1 ZINC000067804700 ED Annotated Anodyne CC(C)(CCS(=O)(=O)CCS(=O)(=O)O)N(Cl)Cl ZINC000068205007 ED Annotated Anodyne Cn1c(Cc2nc(=O)cc(N3CCOCC3)[nH]2)nc2cc(F)ccc21 ZINC000068249669 ED Annotated Anodyne Nc1ccc2c(c1)nc(Cc1ccc3c(c1)OCO3)n1nc(N)nc21 ZINC000068250018 ED Annotated Anodyne CC(=O)c1cc(O)c(O)c(O)c1-c1c(C(C)=O)cc(O)c(O)c1O ZINC000069482380 ED Annotated Clean in-vitro biogenic CCc1nc(CN2CCCN(c3nn4cc(C)nc4s3)CC2)no1 ZINC000069654150 ED Annotated Anodyne Cc1nc(C)n(C[C@@H]2CCCCN2CC(=O)Nc2cccnc2)n1 ZINC000069899440 ED Annotated Anodyne Cc1nc(C)n(C[C@H]2CCCCN2CC(=O)Nc2cccnc2)n1 ZINC000069899444 ED Annotated Anodyne Cc1nc(C)n(C[C@@H]2CCCCN2CC(=O)Nc2ccncc2)n1 ZINC000069949800 ED Annotated Anodyne Cc1nc(C)n(C[C@H]2CCCCN2CC(=O)Nc2ccncc2)n1 ZINC000069949802 ED Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)NCc2ccco2)c(C)n(C)c1C ZINC000007002681 ED Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)NC[C@@H]2CCCO2)c(C)n(C)c1C ZINC000007002761 ED Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)NC[C@H]2CCCO2)c(C)n(C)c1C ZINC000007002763 ED Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)NCCCOC)c(C)n(C)c1C ZINC000007002827 ED Annotated Anodyne CC(C)N(C)C1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1 ZINC000007006273 ED Annotated Anodyne CN(CCCc1ccco1)S(=O)(=O)c1csc(C(N)=O)c1 ZINC000007006343 ED Annotated Anodyne O=C(c1cc(S(=O)(=O)N2CCOCC2)cs1)N1CCCC1 ZINC000007006356 ED Annotated Anodyne O=C1NCCNC(=O)c2ccccc2OCCOc2ccccc21 ZINC000007037101 ED Annotated Anodyne O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccccn1 ZINC000007282683 ED Annotated Anodyne C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@H](C)[C@@H]1C)[C@H]23 ZINC000070450841 ED Annotated Mild in-vitro biogenic C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000070450847 ED Annotated Anodyne in-vitro biogenic COC(=O)/C=C\NC(=O)c1cc2c3cc[cH-]cc-3nc2c([C@@H](C)O)n1 ZINC000070450930 ED Annotated Anodyne in-vitro biogenic COC(=O)CCNC(=O)c1cc2c3cc[cH-]cc-3nc2c(C(C)=O)n1 ZINC000070451030 ED Annotated Anodyne in-vitro biogenic OC/C=C/C1=C[C@H]2O[C@@H](CO)[C@H](c3ccc(O)c(O)c3)O[C@H]2C=C1 ZINC000070454367 ED Annotated Clean in-vitro biogenic C[C@H]1C[C@@H]([C@@H]2CC[C@]34O[C@H](CC[C@@]35CC(=O)[C@H](C)O5)CN24)OC1=O ZINC000070454844 ED Annotated Anodyne in-vitro biogenic C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000070454927 ED Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CC[C@H](O)[C@@](C)(C(=O)O4)[C@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000070454930 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(CC[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000070454932 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000070454933 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000070454935 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000070454936 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2C1=C[C@@H]2C[C@@](C)(C(=O)O2)[C@H]1[C@@H]3C(=O)O ZINC000070454937 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000070454938 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2C1=C[C@@H]2C[C@@](C)(C(=O)O2)[C@H]1[C@@H]3C(=O)O ZINC000070454939 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(CC[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000070454942 ED Annotated Mild in-man biogenic C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000070454945 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000070454946 ED Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000070454947 ED Annotated Mild in-vitro biogenic COc1cc(O)c2c(c1)C(=O)c1cc(OC)c(O)c(CO)c1C2=O ZINC000070454983 ED Annotated Clean in-vitro biogenic COC1=C[C@@H]2[C@H]3N(C)C[C@@]34C[C@]2(CC1=O)c1c4ccc(OC)c1O ZINC000070455604 ED Annotated Mild in-vitro biogenic COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[C@@H](O2)O[C@H]2O[C@H]21 ZINC000070647042 ED Annotated Anodyne in-vitro COc1ccc(-c2cc3n(n2)CCN(CCOCCO)C3=O)cc1 ZINC000071280767 ED Annotated Anodyne O=C1OCC2=C1[C@H](c1cncc(Br)c1)c1cn[nH]c1N2 ZINC000071281348 ED Annotated Anodyne O=C1OCC2=C1[C@@H](c1cncc(Br)c1)c1cn[nH]c1N2 ZINC000071281350 ED Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]ncc32)cc(OC)c1OC ZINC000071294409 ED Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]ncc32)cc(OC)c1OC ZINC000071294410 ED Annotated Anodyne CC(C)CCO[C@@H]1C=C(CO)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000071294818 ED Annotated Mild O=C1c2cc(-c3ccccc3)nn2CCN1CCN1CCOCC1 ZINC000071295140 ED Annotated Anodyne Cc1ccc(S(=O)(=O)OC[C@H]2O[C@H](OC(C)C)C=CC2=O)cc1 ZINC000071295337 ED Annotated Mild O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1nccs1)C2 ZINC000071295343 ED Annotated Anodyne Cc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)oc3c2)n1 ZINC000071295545 ED Annotated Anodyne O=C(O)[C@@H]1CSc2c(C3CC3)c(CN3CCOCC3)cc(=O)n21 ZINC000071295773 ED Annotated Anodyne O=C1c2cc(-c3ccc(Cl)cc3)nn2CCN1CCOCCO ZINC000071295788 ED Annotated Anodyne COc1ccc([C@@H]2C(C#N)=C(N)O[C@]3(OC)CCN(C)C[C@@H]23)cc1 ZINC000071295817 ED Annotated Reactive O=c1ccc2cc(S(=O)(=O)N3CCNCC3)cc(Cl)c2o1 ZINC000071296953 ED Annotated Anodyne C=Cn1ncc2c1nc(N)n1c(=O)n(Cc3cccc(Cl)c3)nc21 ZINC000071297214 ED Annotated Anodyne O=C1C[C@@H](C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)CN1 ZINC000071315755 ED Annotated Anodyne O=C1C[C@H](C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)CN1 ZINC000071315756 ED Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C=C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000071316234 ED Annotated Mild COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cnn2n1 ZINC000071316516 ED Annotated Anodyne N#CCC(=O)N/N=C(/CBr)c1ccc([N+](=O)[O-])cc1 ZINC000071316580 ED Annotated Reactive CCOCn1c(C(=O)c2cc(C)cc(C)c2)c(CC)c(=O)n(O)c1=O ZINC000071317451 ED Annotated Anodyne O=C([C@@H]1CNCCN1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071318460 ED Annotated Anodyne O=C([C@H]1CNCCN1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071318461 ED Annotated Anodyne CCCCCNC(=O)CCNC(=O)[C@H](O)[C@@](C)(CO)CC1CCC1 ZINC000071319116 ED Annotated Anodyne O=C1CC[C@@H](C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)N1 ZINC000071319221 ED Annotated Anodyne O=C1CC[C@H](C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)N1 ZINC000071319222 ED Annotated Anodyne Nc1nc(-c2cccc(CO)c2)cc2nn(Cc3ccccc3)c(=O)n12 ZINC000071319233 ED Annotated Anodyne Cc1nc(N)nc(-n2c(Nc3cc[nH]n3)nc3cc(F)c(F)cc32)n1 ZINC000071329983 ED Annotated Anodyne O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1C[C@@H]1CCCN1 ZINC000071330028 ED Annotated Mild O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1C[C@H]1CCCN1 ZINC000071330029 ED Annotated Mild Cc1c(/C=N/NC(=O)c2ccncc2)[n+](=O)c2cc(F)ccc2n1O ZINC000071332475 ED Annotated Anodyne CN(C)CCc1cn(CCCCO)c2c1C(=O)c1ccncc1C2=O ZINC000071332999 ED Annotated Clean O=C(NC[C@H]1Cc2ccsc2CO1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O ZINC000071333213 ED Annotated Anodyne O=C(NC[C@@H]1Cc2ccsc2CO1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O ZINC000071333214 ED Annotated Anodyne O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NC[C@H]1Cc2ccsc2CO1 ZINC000071333217 ED Annotated Anodyne O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NC[C@@H]1Cc2ccsc2CO1 ZINC000071333219 ED Annotated Anodyne CCCC[C@@H](CC)CNC(=O)c1cccc(-n2ncc(=O)[nH]c2=O)c1 ZINC000071333268 ED Annotated Anodyne CCCC[C@H](CC)CNC(=O)c1cccc(-n2ncc(=O)[nH]c2=O)c1 ZINC000071333270 ED Annotated Anodyne CC(C)(CCS(=O)(=O)CCCS(=O)(=O)O)N(Cl)Cl ZINC000071335403 ED Annotated Anodyne Cc1ccc2c(c1)[n+](=O)c(/C=N/NC(=O)c1ccncc1)c(C)n2O ZINC000071340258 ED Annotated Anodyne CN(C)CCOc1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O ZINC000071340848 ED Annotated Anodyne CC(C)(CCCS(=O)(=O)CCS(=O)(=O)O)N(Cl)Cl ZINC000071340865 ED Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1cc(OC)cc(OC)c1 ZINC000071340918 ED Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1cc(OC)cc(OC)c1 ZINC000071340919 ED Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1cc(OC)cc(OC)c1 ZINC000071340920 ED Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1cc(OC)cc(OC)c1 ZINC000071340921 ED Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1ccc(OC)c(OC)c1 ZINC000071340936 ED Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1ccc(OC)c(OC)c1 ZINC000071340937 ED Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1ccc(OC)c(OC)c1 ZINC000071340938 ED Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1ccc(OC)c(OC)c1 ZINC000071340939 ED Annotated Anodyne O=C(O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1Cl ZINC000071341104 ED Annotated Anodyne O=C(O)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1Cl ZINC000071341105 ED Annotated Anodyne O=C(O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)cc1Cl ZINC000071341106 ED Annotated Anodyne O=C(O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3CC[C@H]2O3)cc1Cl ZINC000071341107 ED Annotated Anodyne Cn1ccc2cc(CNC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)ccc21 ZINC000071341310 ED Annotated Anodyne Cn1ccc2cc(CNC(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)O)ccc21 ZINC000071341311 ED Annotated Anodyne Cn1ccc2cc(CNC(=O)[C@H]3[C@H](C(=O)O)[C@@H]4CC[C@H]3O4)ccc21 ZINC000071341312 ED Annotated Anodyne Cn1ccc2cc(CNC(=O)[C@@H]3[C@H](C(=O)O)[C@@H]4CC[C@H]3O4)ccc21 ZINC000071341313 ED Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1ccc(N(C)C)cc1 ZINC000071341379 ED Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1ccc(N(C)C)cc1 ZINC000071341380 ED Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1ccc(N(C)C)cc1 ZINC000071341381 ED Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1ccc(N(C)C)cc1 ZINC000071341382 ED Annotated Anodyne CN(C)CCc1cn(CCN2CC2)c2c1C(=O)c1ccncc1C2=O ZINC000071341448 ED Annotated Clean CN(C)CCc1cn(CCN(C)C)c2c1C(=O)c1ccncc1C2=O ZINC000071341755 ED Annotated Clean CS(=O)(=O)OCCCCn1ccc2c1C(=O)c1cnccc1C2=O ZINC000071342073 ED Annotated Mild Cc1nc(NCC#N)nc(-n2c(Nc3cc[nH]n3)nc3ccccc32)n1 ZINC000071388863 ED Annotated Mild O=C1c2ccncc2C(=O)c2c1ccn2CCC[C@H](O)CN1CC1 ZINC000071418518 ED Annotated Clean O=C1c2ccncc2C(=O)c2c1ccn2CCC[C@@H](O)CN1CC1 ZINC000071418519 ED Annotated Clean CCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCc2ccccn2)c(C)[nH]1 ZINC000071575412 ED Annotated Anodyne CC(C)c1nc(N2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)no1 ZINC000071746421 ED Annotated Anodyne CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)NCCc2cnccn2)[nH]1 ZINC000071750231 ED Annotated Anodyne CN(CCc1ccccn1)[C@@H]1CCN(c2cccc(C#N)n2)C[C@H]1O ZINC000071753123 ED Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000071755624 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000071755726 ED Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000071756424 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000071756437 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000071756441 ED Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000071757823 ED Annotated Mild Cc1cc2[nH]c(CN3CCO[C@H](Cc4ccccc4)C3)cc(=O)n2n1 ZINC000071759919 ED Annotated Anodyne Cc1cc2[nH]c(CN3CCO[C@@H](Cc4ccccc4)C3)cc(=O)n2n1 ZINC000071759920 ED Annotated Anodyne CCOc1nnc(CN(C)C[C@@H]2CCCN2c2cccnn2)s1 ZINC000071860055 ED Annotated Anodyne CCOc1nnc(CN(C)C[C@H]2CCCN2c2cccnn2)s1 ZINC000071860056 ED Annotated Anodyne Cc1nnc([C@@H](C)N2CCCN(Cc3noc(C4CC4)n3)CC2)o1 ZINC000071871657 ED Annotated Anodyne Cc1nnc([C@H](C)N2CCCN(Cc3noc(C4CC4)n3)CC2)o1 ZINC000071871658 ED Annotated Anodyne CCCOc1ccc([C@@H]2[C@]3(C#N)C(N)=NC4(OCCO4)[C@]23C#N)cc1 ZINC000071928382 ED Annotated Mild CC(C)NC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)CCO2 ZINC000071984063 ED Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NS(C)(=O)=O)c1ccccc1O2 ZINC000071984735 ED Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NS(C)(=O)=O)c1ccccc1O2 ZINC000071984736 ED Annotated Anodyne O=C(Nc1ccccc1)N1CCn2c(nnc2C2CCNCC2)C1 ZINC000071985304 ED Annotated Anodyne Cn1nc([C@@H]2CCNC2)c2c(C(=O)NC3CC3)cc(C3CC3)nc21 ZINC000071995187 ED Annotated Anodyne Cn1nc([C@H]2CCNC2)c2c(C(=O)NC3CC3)cc(C3CC3)nc21 ZINC000071995188 ED Annotated Anodyne COCCNC(=O)c1cc(C2CC2)nc2onc([C@@H]3CCNC3)c12 ZINC000071995507 ED Annotated Anodyne COCCNC(=O)c1cc(C2CC2)nc2onc([C@H]3CCNC3)c12 ZINC000071995508 ED Annotated Anodyne NC(=O)c1ccc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)c1 ZINC000072104563 ED Annotated Mild NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1 ZINC000072104564 ED Annotated Mild NC(=O)c1cc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)cc1 ZINC000072104584 ED Annotated Mild O=C(Nc1ccc(F)cc1)OC[C@@H]1CSCCS(=O)(=O)N1 ZINC000072104616 ED Annotated Anodyne O=C(Nc1ccc(F)cc1)OC[C@H]1CSCCS(=O)(=O)N1 ZINC000072104617 ED Annotated Anodyne NC(=O)c1ccc[n+](Cc2ccc(C[n+]3ccccc3/C=N/O)cc2)c1 ZINC000072104703 ED Annotated Mild NC(=O)c1ccc[n+](Cc2ccccc2C[n+]2cccc(/C=N/O)c2)c1 ZINC000072104798 ED Annotated Mild NC(=O)c1cc[n+](Cc2cccc(C[n+]3ccccc3/C=N/O)c2)cc1 ZINC000072104861 ED Annotated Mild NC(=O)c1ccc[n+](Cc2ccc(C[n+]3cccc(/C=N/O)c3)cc2)c1 ZINC000072105014 ED Annotated Mild NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccccc2/C=N/O)cc1 ZINC000072105015 ED Annotated Mild NC(=O)c1cc[n+](Cc2ccccc2C[n+]2cccc(/C=N/O)c2)cc1 ZINC000072105085 ED Annotated Mild NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1 ZINC000072105110 ED Annotated Mild NC(=O)c1ccc[n+](Cc2ccccc2C[n+]2ccccc2/C=N/O)c1 ZINC000072105112 ED Annotated Mild NC(=O)c1cc[n+](Cc2ccc(C[n+]3cccc(/C=N/O)c3)cc2)cc1 ZINC000072105144 ED Annotated Mild NC(=O)c1ccc[n+](Cc2cccc(C[n+]3cccc(/C=N/O)c3)c2)c1 ZINC000072105145 ED Annotated Mild NC(=O)c1ccc[n+](Cc2cccc(C[n+]3ccccc3/C=N/O)c2)c1 ZINC000072105172 ED Annotated Mild NC(=O)c1cc[n+](Cc2cccc(C[n+]3cccc(/C=N/O)c3)c2)cc1 ZINC000072105515 ED Annotated Mild NC(=O)c1ccc[n+](Cc2cccc(C[n+]3ccc(/C=N/O)cc3)c2)c1 ZINC000072105991 ED Annotated Mild NC(=O)c1ccc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)c1 ZINC000072106072 ED Annotated Mild C=C[C@]1(C)C=C2C(=O)C3=C4[C@@](C)(CC[C@@H](O)[C@]4(C)[C@@]2(O)CC1)[C@@H](O)O3 ZINC000072106178 ED Annotated Mild O=C(O)[C@]1(O)C=C(OCc2ccc3ccccc3c2)[C@@H](O)[C@H](O)C1 ZINC000072106415 ED Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)Cn1ccnc1)CC2 ZINC000072107165 ED Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)Cn1ccnc1)CC2 ZINC000072107166 ED Annotated Anodyne Nc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000072107297 ED Annotated Clean Cc1cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)ccc1N ZINC000072107366 ED Annotated Anodyne COc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1 ZINC000072107871 ED Annotated Anodyne C=CCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(-c3cc(C)n(C)n3)nc21 ZINC000072107921 ED Annotated Mild C=CCN1C(=O)N2C[C@H](C)N=C2c2[nH]c(-c3cc(C)n(C)n3)nc21 ZINC000072107922 ED Annotated Mild C=C[C@]1(C)C=C2[C@@H](O)[C@@H]3OC(=O)[C@@]4(C)CC[C@H]5C[C@]5([C@@H]34)[C@@]2(O)C(=O)C1 ZINC000072108015 ED Annotated Mild Nc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000072108625 ED Annotated Anodyne COc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000072108711 ED Annotated Anodyne CCN(CC)C[C@](C)(O)[C@H]1CCc2c(c(C)cc(O)c(=O)c2O)C1 ZINC000072108749 ED Annotated Anodyne CCN(CC)C[C@@](C)(O)[C@H]1CCc2c(c(C)cc(O)c(=O)c2O)C1 ZINC000072108750 ED Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(O)cc2)cc1 ZINC000072108806 ED Annotated Anodyne CC[C@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)O[C@H](O)[C@H]3[C@H]12 ZINC000072108983 ED Annotated Mild in-vitro CC(C)c1cc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)nc(N)n1 ZINC000072109034 ED Annotated Anodyne C=CCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 ZINC000072109124 ED Annotated Mild C=CCN1C(=O)N2C[C@H](C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21 ZINC000072109125 ED Annotated Mild C=CCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 ZINC000072109697 ED Annotated Mild C=CCN1C(=O)N2C[C@H](C)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 ZINC000072109698 ED Annotated Mild CC(=O)C1=COC[C@H]2[C@H]3C[C@@]4(C(=O)N(C)c5ccccc54)[C@@H](C[C@@H]12)N3 ZINC000072109957 ED Annotated Mild C=CCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(-c3cc(OC)no3)nc21 ZINC000072110029 ED Annotated Mild C=CCN1C(=O)N2C[C@H](C)N=C2c2[nH]c(-c3cc(OC)no3)nc21 ZINC000072110030 ED Annotated Mild CN1C(=O)c2cccc(CNc3ccc(S(=O)(=O)O)cc3)c2C1=O ZINC000072111507 ED Annotated Anodyne CN1CCN(c2ccc(-c3cc4c(c(N)nn4C)c(=O)[nH]3)cc2)CC1 ZINC000072112297 ED Annotated Anodyne Cc1cccc2c1C(=O)N(c1ccc(C(=O)NCC(=O)O)cc1)C2=O ZINC000072112408 ED Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc([N+](=O)[O-])cc1 ZINC000072113127 ED Annotated Reactive O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCN1CCOCC1 ZINC000072113812 ED Annotated Anodyne O=S(=O)(CC1=NCCS1)C1=NNC[C@H]1c1ccc(Cl)cc1 ZINC000072118588 ED Annotated Anodyne O=S(=O)(CC1=NCCS1)C1=NNC[C@@H]1c1ccc(Cl)cc1 ZINC000072118589 ED Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccco2)nnn1Nc1ccc(F)cc1 ZINC000072118623 ED Annotated Reactive O=S(=O)(CC1=NCCO1)C1=NNC[C@H]1c1ccc(Cl)cc1 ZINC000072118666 ED Annotated Anodyne O=S(=O)(CC1=NCCO1)C1=NNC[C@@H]1c1ccc(Cl)cc1 ZINC000072118667 ED Annotated Anodyne O=S(=O)(CC1=NCCO1)c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000072118697 ED Annotated Anodyne Cc1cc(C)n(/N=C/c2cc3ccccc3n3nnnc23)c(=O)c1C#N ZINC000072118767 ED Annotated Mild O=C(N/N=C/NC(=O)c1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000072118885 ED Annotated Reactive C=CCN1CCS(=O)(=O)N(Cc2ccccc2)[C@H](C(C)C)C1=O ZINC000072120600 ED Annotated Mild OCCc1ccccc1Nc1nc(Cl)nc(N2CCOCC2)n1 ZINC000072123188 ED Annotated Anodyne C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1cc[nH]n1 ZINC000072124571 ED Annotated Anodyne C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1cc[nH]n1 ZINC000072124572 ED Annotated Anodyne O=C1N[C@@](c2ccc(Cl)cc2)(C2CC2)C(=O)N1CN1CCOCC1 ZINC000072125963 ED Annotated Anodyne O=C1N[C@](c2ccc(Cl)cc2)(C2CC2)C(=O)N1CN1CCOCC1 ZINC000072125964 ED Annotated Anodyne O=C(NO)c1cnc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc1 ZINC000072126286 ED Annotated Bother COc1nc(CC(F)(COC(C)=O)COC(C)=O)c(C)c(OC)n1 ZINC000072127885 ED Annotated Anodyne Cc1ccc(NC(=O)OC[C@@H]2CSCCS(=O)(=O)N2)cc1 ZINC000072135745 ED Annotated Anodyne Cc1ccc(NC(=O)OC[C@H]2CSCCS(=O)(=O)N2)cc1 ZINC000072135746 ED Annotated Anodyne COc1ccc(NC(=O)OC[C@@H]2CSCCS(=O)(=O)N2)cc1 ZINC000072136834 ED Annotated Anodyne COc1ccc(NC(=O)OC[C@H]2CSCCS(=O)(=O)N2)cc1 ZINC000072136835 ED Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(NCCO)ccc21 ZINC000072138286 ED Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(NCCO)ccc21 ZINC000072138287 ED Annotated Anodyne NC(=O)C[C@H](N)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000072139381 ED Annotated Anodyne COc1ccccc1NC(=O)OC[C@@H]1CSCCS(=O)(=O)N1 ZINC000072139540 ED Annotated Anodyne COc1ccccc1NC(=O)OC[C@H]1CSCCS(=O)(=O)N1 ZINC000072139541 ED Annotated Anodyne COc1ccc(/C=c2/c(OC)n/c(=C\c3ccccc3)c(=O)n2C)cc1 ZINC000072139635 ED Annotated Anodyne C=CCN1C[C@@H](COc2ccc(OC)cc2)OCCS1(=O)=O ZINC000072140787 ED Annotated Mild C=CCN1C[C@H](COc2ccc(OC)cc2)OCCS1(=O)=O ZINC000072140788 ED Annotated Mild NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccccc3/C=N/O)cc2)cc1 ZINC000072141201 ED Annotated Mild C=CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CO ZINC000072141676 ED Annotated Anodyne CCOC(=O)Cn1cc(Cn2c3ccccc3c(=O)n2C(C)C)nn1 ZINC000072142579 ED Annotated Anodyne N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(CO)o3)CC2)[C@H]1O ZINC000072148525 ED Annotated Anodyne C[C@H](O)[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](O)[C@@H]2CO1 ZINC000072172000 ED Annotated Mild N#CSCCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072174735 ED Annotated Reactive N#CSCCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072174736 ED Annotated Reactive CSCCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072174752 ED Annotated Anodyne CSCCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072174753 ED Annotated Anodyne O=C1c2cc3c(cc2OCN1CC(F)(F)F)C(=O)N1CCC[C@H]1O3 ZINC000072174836 ED Annotated Anodyne O=C1c2cc3c(cc2OCN1CC(F)(F)F)C(=O)N1CCC[C@@H]1O3 ZINC000072174837 ED Annotated Anodyne N#CCCCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072174851 ED Annotated Mild N#CCCCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072174852 ED Annotated Mild [N-]=[N+]=NCCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072175469 ED Annotated Clean [N-]=[N+]=NCCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072175470 ED Annotated Clean O=c1oc2cc(Br)cnc2n1CCCP(=O)(O)O ZINC000072178548 ED Annotated Anodyne Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)Cc1ccc(O)c(C#N)c1 ZINC000072178774 ED Annotated Reactive COc1cccc2c1NC(=O)/C2=N\NC(=O)Cc1ccc(O)cc1 ZINC000072178948 ED Annotated Reactive CCOP(=O)(OCC)OCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O ZINC000072181394 ED Annotated Anodyne O=C(N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccncc1 ZINC000072181635 ED Annotated Reactive COc1ccc(CC(=O)N/N=C2\C(=O)Nc3c(C)ccc(C)c32)cn1 ZINC000072182477 ED Annotated Reactive CCn1cc(-c2nnc(S)n2NC(C)=O)c(=O)c2ccc(C)nc21 ZINC000072182875 ED Annotated Anodyne C=CCN1CCN(/C(=N\O)c2cccnc2OCC(F)(F)F)CC1 ZINC000072183402 ED Annotated Mild Cc1ccc(/C(=N/O)N2CCN(C)CC2)c(Oc2cccnc2)n1 ZINC000072184797 ED Annotated Mild CC(C)(C)COc1ncccc1/C(=N/O)NCCN1CCOCC1 ZINC000072186499 ED Annotated Mild Cc1ccn2ncc(C(=O)N3CCC[C@H](c4noc(C)n4)C3)c2n1 ZINC000072232587 ED Annotated Anodyne Cc1ccn2ncc(C(=O)N3CCC[C@@H](c4noc(C)n4)C3)c2n1 ZINC000072232588 ED Annotated Anodyne CCc1nc(CN2CCC[C@H](NCc3nc4cccnc4[nH]3)C2)no1 ZINC000072269935 ED Annotated Anodyne CCc1nc(CN2CCC[C@@H](NCc3nc4cccnc4[nH]3)C2)no1 ZINC000072269936 ED Annotated Anodyne CO[C@@H]1C=C2CCN(C)[C@@H]2[C@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000072283123 ED Annotated Anodyne in-vitro CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccon1)CCC2 ZINC000072291734 ED Annotated Anodyne NC(=O)CCN(CC(=O)NCc1ccccn1)c1ccc(F)cc1 ZINC000072293936 ED Annotated Anodyne CCc1ccc(N2C[C@H](C(=O)NC(C)(C)c3nnn[nH]3)CC2=O)cc1 ZINC000072298084 ED Annotated Anodyne CCc1ccc(N2C[C@@H](C(=O)NC(C)(C)c3nnn[nH]3)CC2=O)cc1 ZINC000072298085 ED Annotated Anodyne Cc1ccc(NCCNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)nn1 ZINC000072302853 ED Annotated Anodyne Cc1ccc(NCCNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)nn1 ZINC000072302854 ED Annotated Anodyne Cn1nnc2c1CCN([C@H](C(=O)N1CCCCC1)c1ccccc1)C2 ZINC000072308838 ED Annotated Anodyne Cn1nnc2c1CCN([C@@H](C(=O)N1CCCCC1)c1ccccc1)C2 ZINC000072308839 ED Annotated Anodyne Cn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1 ZINC000072315569 ED Annotated Anodyne Cn1nc(C(=O)NCc2ccc(F)cc2)/c(=N/O)c2ncccc21 ZINC000072317417 ED Annotated Anodyne CCOCCCNC(=O)c1cnc2cc(C(=O)N(C)C)n(C)c2c1 ZINC000072322775 ED Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCC(C)C ZINC000072322877 ED Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCCOC ZINC000072322892 ED Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)N[C@@H](C)COC ZINC000072322898 ED Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)N[C@H](C)COC ZINC000072322899 ED Annotated Mild CNc1ncc(CN2CCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)cn1 ZINC000072366804 ED Annotated Anodyne CNc1ncc(CN2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)cn1 ZINC000072366805 ED Annotated Anodyne COc1ncc(CN2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)cn1 ZINC000072366806 ED Annotated Anodyne COc1ncc(CN2CCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)cn1 ZINC000072366807 ED Annotated Anodyne O=C(c1cc[nH]n1)N1CCC[C@@H]1c1cncc(CN2CCOCC2)n1 ZINC000072387953 ED Annotated Anodyne O=C(c1cc[nH]n1)N1CCC[C@H]1c1cncc(CN2CCOCC2)n1 ZINC000072387954 ED Annotated Anodyne c1cncc(CN2CCc3ncnc(NCCc4c[nH]cn4)c3CC2)c1 ZINC000072408278 ED Annotated Anodyne c1cncc(CN2CCC[C@H](Nc3ncnc4c3CCNCC4)C2)c1 ZINC000072420149 ED Annotated Anodyne c1cncc(CN2CCC[C@@H](Nc3ncnc4c3CCNCC4)C2)c1 ZINC000072420150 ED Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H]1NC1Cc2ccccc2C1)c1cccnc1 ZINC000072428968 ED Annotated Anodyne CCOCc1nc2c(c(N(C)Cc3nonc3C)n1)CCNCC2 ZINC000072439987 ED Annotated Anodyne Cc1cc(CN(C)c2nc(-c3ccccn3)nc3c2CCNCC3)n[nH]1 ZINC000072478819 ED Annotated Anodyne Cc1nc(C(=O)NNC(=O)[C@@H](N)C(C)C)cc2c1[nH]c1ccccc12 ZINC000073129582 ED Annotated Reactive Cc1nnsc1C(=O)NNC(=S)Nc1cc(F)ccc1F ZINC000073129678 ED Annotated Reactive Cc1csc2ncn(CC(=O)N/N=C/c3ccccc3O)c(=O)c12 ZINC000073138153 ED Annotated Reactive NC(N)=N/N=C\c1c(-c2ccc(F)c([N+](=O)[O-])c2)nc2sccn12 ZINC000073140228 ED Annotated Mild NC(N)=N/N=C\c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(F)cn12 ZINC000073140769 ED Annotated Mild COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O ZINC000073156794 ED Annotated Anodyne Cc1nnsc1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000073159376 ED Annotated Reactive CNc1nn2c(C)cc(CN)nc2c1S(=O)(=O)c1ccccc1 ZINC000073159517 ED Annotated Anodyne O=c1[nH]c(=O)n(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1F ZINC000073160227 ED Annotated Bother O=Cc1cn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)[nH]c1=O ZINC000073160234 ED Annotated Bother CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1 ZINC000073161529 ED Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cncnc4)cc3OC[C@@H]12 ZINC000073161677 ED Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccncc4)cc3OC[C@@H]12 ZINC000073164993 ED Annotated Anodyne C[C@H](NC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1)c1ccccc1 ZINC000073168427 ED Annotated Anodyne C[C@@H](NC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1)c1ccccc1 ZINC000073168430 ED Annotated Anodyne COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1cccc(N)c1 ZINC000073168842 ED Annotated Anodyne COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1cccc(N)c1 ZINC000073168843 ED Annotated Anodyne CNc1nn2c(C)c(N)c(C)nc2c1S(=O)(=O)c1ccccc1 ZINC000073169899 ED Annotated Anodyne NC(=O)c1n[nH]c(-c2nc(Cc3ccccc3F)c3ccccn23)n1 ZINC000073195930 ED Annotated Anodyne CNc1nn2c(NC)cc(C)nc2c1S(=O)(=O)c1ccccc1 ZINC000073196035 ED Annotated Anodyne O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cn[nH]c5)nn34)cccc12 ZINC000073196087 ED Annotated Anodyne CNc1nn2c(N(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1 ZINC000073196404 ED Annotated Anodyne CSc1nnc(-c2ccc(NC(=S)Nn3cnnc3)cc2)o1 ZINC000073196645 ED Annotated Anodyne COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1ccc(N)cc1 ZINC000073196747 ED Annotated Anodyne COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1ccc(N)cc1 ZINC000073196748 ED Annotated Anodyne Cc1ncc(Cn2cc(COc3ccccc3[N+](=O)[O-])nn2)c(N)n1 ZINC000073198460 ED Annotated Bother O=C1OCCN1c1cccc(-n2c(=O)[nH]c3c(Cl)ncnc32)c1 ZINC000073198468 ED Annotated Anodyne Cc1ncc(Cn2cc(COc3ccc(C(=O)O)cc3)nn2)c(N)n1 ZINC000073198581 ED Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(C(=O)OC)nn2)ON1C ZINC000073199193 ED Annotated Anodyne Cc1ncc(Cn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)c(N)n1 ZINC000073199337 ED Annotated Bother Cc1n[nH]c(-c2ccc(NC(=O)C(C)(C)N3CCN(C)CC3)cc2)n1 ZINC000073202717 ED Annotated Anodyne NC(=S)NNC(=O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000073222347 ED Annotated Reactive CS(=O)(=O)c1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1 ZINC000073224555 ED Annotated Anodyne Cc1ccc(S(=O)(=O)n2nnnc2-c2ccc3c(c2)OCO3)cc1 ZINC000073224666 ED Annotated Anodyne CCc1noc(C)c1COc1nc2oc(=O)cc(CC)c2c(=O)[nH]1 ZINC000073224798 ED Annotated Anodyne Cc1ccccc1-n1c(C)nc2c(OCC(=O)NN)cccc2c1=O ZINC000073239826 ED Annotated Reactive CCOC(=O)c1c[nH]c(C(=O)C=[N+]=[N-])c1[C@H]1CCN(CC)C1=S ZINC000073241010 ED Annotated Clean C=C(C)C(=O)O[C@@H]1C/C(CO)=C\[C@H](O)C/C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]21 ZINC000073242955 ED Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(CO)[C@H]2/C=C/C1=CCOC1=O ZINC000073258050 ED Annotated Anodyne CCNc1nc(Nc2ccccc2OC)nc(N2CCNCC2)n1 ZINC000073273802 ED Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@]1(O)/C=C/C1=CCOC1=O ZINC000073276933 ED Annotated Mild CCO[P@](=O)(O)[C@H](N[C@H](C(=O)O)[C@@H](C)O)c1ccccc1O ZINC000073277051 ED Annotated Clean CCO[P@](=O)(O)[C@@H](N[C@H](C(=O)O)[C@@H](C)O)c1ccccc1O ZINC000073277055 ED Annotated Clean CC(=O)NCc1noc(-c2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000073278195 ED Annotated Anodyne NC(=O)c1noc(-c2cc(F)c(N3CCOCC3)c(F)c2F)n1 ZINC000073280746 ED Annotated Anodyne CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(C)c(=O)c21 ZINC000073292168 ED Annotated Mild NC(N)=N/N=C\c1c(-c2cccc([N+](=O)[O-])c2F)nc2sccn12 ZINC000073293881 ED Annotated Mild Cc1c(C(=O)N/N=C/c2ccc(Br)cc2)no[n+]1[O-] ZINC000073294772 ED Annotated Reactive O=C(N/N=C/c1ccc2no[n+]([O-])c2c1)c1cnn(-c2ccccc2)c1 ZINC000073295979 ED Annotated Reactive CO[C@H]1NC(=O)N(S(=O)(=O)c2c(C)cc(C)cc2C)[C@@H]1OC ZINC000073310634 ED Annotated Anodyne CN1C=c2c3c(ccc2=C2C=C[C@H]4C=C5OCOC5=CC4=C21)OCO3 ZINC000073311384 ED Annotated Anodyne CN1C=c2c3c(ccc2=C2C=C[C@@H]4C=C5OCOC5=CC4=C21)OCO3 ZINC000073311387 ED Annotated Anodyne c1ccn(-c2nnn(CCCCCn3nnc(-n4cccc4)n3)n2)c1 ZINC000073311772 ED Annotated Anodyne CO[C@H]1NC(=O)N(S(=O)(=O)c2ccc3ccccc3c2)[C@@H]1OC ZINC000073313042 ED Annotated Anodyne Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc2no[n+]([O-])c2c1 ZINC000073314159 ED Annotated Reactive C[C@H](NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)C(=O)O ZINC000073314886 ED Annotated Anodyne C[C@@H](NC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1)C(=O)O ZINC000073314888 ED Annotated Anodyne CC1=C(C)C(=O)C(C2=CC(=O)C=CC2=O)=C(C2=CC(=O)C=CC2=O)C1=O ZINC000073386040 ED Annotated Mild COC(=O)[C@@H]1C[C@](O)(C(=O)OC)c2c(N)c(Cl)cc(Cl)c2N1 ZINC000073386171 ED Annotated Anodyne COC(=O)[C@H]1C[C@](O)(C(=O)OC)c2c(N)c(Cl)cc(Cl)c2N1 ZINC000073386172 ED Annotated Anodyne COC(=O)[C@@H]1C[C@@](O)(C(=O)OC)c2c(N)c(Cl)cc(Cl)c2N1 ZINC000073386176 ED Annotated Anodyne COC(=O)[C@H]1C[C@@](O)(C(=O)OC)c2c(N)c(Cl)cc(Cl)c2N1 ZINC000073386177 ED Annotated Anodyne CO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)C(=O)C=C1COC(C)(C)O[C@H]12 ZINC000073388003 ED Annotated Mild O=C(Nc1cc(F)cc(F)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1 ZINC000073388583 ED Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000073404346 ED Annotated Anodyne CN1O[C@@](C)(CC(=O)N2CCOCC2)N=C1c1cccc(Cl)c1 ZINC000074373280 ED Annotated Anodyne CN1O[C@](C)(CC(=O)N2CCOCC2)N=C1c1cccc(Cl)c1 ZINC000074373282 ED Annotated Anodyne CN1O[C@@](C)(CC(=O)N2CCOCC2)N=C1c1ccccc1Cl ZINC000074373300 ED Annotated Anodyne CN1O[C@](C)(CC(=O)N2CCOCC2)N=C1c1ccccc1Cl ZINC000074373302 ED Annotated Anodyne CN(C)CCNC(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074373437 ED Annotated Anodyne CN(C)CCNC(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074373443 ED Annotated Anodyne CN1CCN(C(=O)C[C@@]2(C)N=C(c3ccccc3F)N(C)O2)CC1 ZINC000074373824 ED Annotated Anodyne CN1CCN(C(=O)C[C@]2(C)N=C(c3ccccc3F)N(C)O2)CC1 ZINC000074373826 ED Annotated Anodyne COCCNC(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074373930 ED Annotated Anodyne COCCNC(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074373933 ED Annotated Anodyne COCCN1C(=O)COCc2cc(-c3cccc(C(N)=O)c3)ccc21 ZINC000074375216 ED Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3cccc(C(N)=O)c3)cc21 ZINC000074375863 ED Annotated Anodyne COc1ccc(C(=O)N2CCn3c(nnc3C(=O)NC(C)C)C2)cc1 ZINC000074376002 ED Annotated Anodyne CC(C)NC(=O)c1nnc2n1CCN(Cc1cccc3c1OCO3)C2 ZINC000074376308 ED Annotated Anodyne CCCNC(=O)c1nnc2n1CCN(C(=O)CCc1ccccc1)C2 ZINC000074376618 ED Annotated Anodyne CN(C)c1ccc(CNC(=O)c2cnc(N3CCNC3=O)s2)cc1 ZINC000074380106 ED Annotated Anodyne CCN(C)C(=O)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000074380232 ED Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)NC(C)C)=COC2=NC1=O ZINC000074380345 ED Annotated Anodyne CCN(C)C(=O)C1=CN2CCN(Cc3ccccc3C)C(=O)N=C2O1 ZINC000074380372 ED Annotated Anodyne COCCNC(=O)C(C)(C)n1cc(NC(=O)c2cc(C)oc2C)cn1 ZINC000074387742 ED Annotated Anodyne Cc1cc(C)n(CC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000007584359 ED Annotated Reactive CCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000007991187 ED Annotated Anodyne Cc1nnc(NC(=O)N[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000007991259 ED Annotated Anodyne CN1CCC[C@H](OC(=O)CCCC(=O)O[C@H]2CCCN(C)C2)C1 ZINC000007991647 ED Annotated Anodyne CN1CCC[C@H](OC(=O)CCCCC(=O)O[C@H]2CCCN(C)C2)C1 ZINC000007991648 ED Annotated Anodyne Cc1nc(NCCO)c2nc(-c3ccccc3)n(CCN(C)C)c2n1 ZINC000007991813 ED Annotated Anodyne COc1ccc(C#C[C@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000007991919 ED Annotated Mild COc1ccc(C#C[C@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000007991921 ED Annotated Mild COc1ccc(C#C[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000007991922 ED Annotated Mild COC(=O)C(C(=O)OC)[C@@H]1O[C@@]23COCC[C@]2(C)[C@H]3c2ccccc21 ZINC000007992416 ED Annotated Anodyne COC(=O)CNC(=O)[C@@]1(CC(C)C)C=CCN1C(=O)c1ccccc1 ZINC000007992720 ED Annotated Anodyne COC(=O)CNC(=O)[C@]1(CC(C)C)C=CCN1C(=O)c1ccccc1 ZINC000007992721 ED Annotated Anodyne COC(=O)CNC(=O)[C@@]1(C)C=C[C@@H](Cc2ccccc2)N1C(C)=O ZINC000007992791 ED Annotated Anodyne COC(=O)CNC(=O)[C@@]1(C)C=C[C@@H](Cc2ccccc2)N1C(=O)OC ZINC000007992818 ED Annotated Anodyne COCCNC(=O)[C@@]1(Cc2ccccc2)C=C[C@@H](C)N1C(=O)OC ZINC000007992822 ED Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12C=C[C@@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000007997583 ED Annotated Mild CSCC[C@@H]1NC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](C)COC1=O ZINC000007998195 ED Annotated Anodyne CO[C@@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)CCC[C@H]1C ZINC000007998272 ED Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H]1C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O1 ZINC000007998310 ED Annotated Anodyne O=C1C=C[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000007998755 ED Annotated Mild C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](CC[C@@H]3C(=O)C=C[C@@H](O)[C@H]32)C1=O ZINC000007998774 ED Annotated Mild COc1ccc(-n2cc(Cl)nc(N3CCC[C@H]3C(=O)O)c2=O)cc1 ZINC000075245282 ED Annotated Anodyne Cc1cc(C)n2cc(CN3CCC(N4CCN(C)C4=O)CC3)nc2n1 ZINC000075604043 ED Annotated Anodyne O=S(=O)(c1c[nH]cn1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000075876277 ED Annotated Anodyne COc1cccc2c1OCCCN(Cc1ccc(C(N)=O)c(=O)[nH]1)C2 ZINC000077439839 ED Annotated Anodyne O=C1[C@@H]2CN(c3ncccc3Cl)C[C@]2(C(=O)O)CN1CC1CC1 ZINC000077458365 ED Annotated Anodyne Cc1cnc(C(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 ZINC000077488250 ED Annotated Anodyne C[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O ZINC000077980910 ED Annotated Anodyne CN(c1ccc(-c2csc(CC(N)=O)n2)cc1)S(C)(=O)=O ZINC000008042303 ED Annotated Anodyne CCN(c1ccc(-c2csc(CC(N)=O)n2)cc1)S(C)(=O)=O ZINC000008042311 ED Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000008242879 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000008242894 ED Annotated Mild in-man Cc1ccc2c(c1)=C(N/N=C/c1c(O)ccc3ccccc13)C(=O)N=2 ZINC000008320406 ED Annotated Mild Cc1nnc(CN(C)CC(=O)N2CCCN(C3CCCC3)CC2)n1C ZINC000081431962 ED Annotated Anodyne O=C(Cn1cnc2ccccc21)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000082039376 ED Annotated Anodyne O=c1cc(N2CCCC2)cnn1CCS(=O)(=O)c1ccccc1 ZINC000082039442 ED Annotated Anodyne CNCc1cn(C[C@@H]2CCCN(C(=O)NCc3ccco3)C2)nn1 ZINC000082039537 ED Annotated Anodyne CNCc1cn(C[C@H]2CCCN(C(=O)NCc3ccco3)C2)nn1 ZINC000082039538 ED Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](CN4CCNCC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051209 ED Annotated Mild CC1=C2[C@H]3OC(=O)[C@H](CN4CCNCC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051210 ED Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051220 ED Annotated Mild CC1=C2[C@H]3OC(=O)[C@H](CN4CCOCC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051221 ED Annotated Mild C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN[C@H]3CCOC3=O)C(=O)O[C@@H]1C2 ZINC000082051319 ED Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN[C@H]3CCOC3=O)C(=O)O[C@@H]1C2 ZINC000082051320 ED Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN[C@H]1CCOC1=O ZINC000082051322 ED Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN[C@H]1CCOC1=O ZINC000082051324 ED Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCOCC3)C(=O)O[C@@H]1C2 ZINC000082051909 ED Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCOCC3)C(=O)O[C@@H]1C2 ZINC000082051911 ED Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCOCC1 ZINC000082051914 ED Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCOCC1 ZINC000082051916 ED Annotated Anodyne C[C@H](O)Cc1nsc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000082052332 ED Annotated Bother C[C@@H](O)Cc1nsc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000082052334 ED Annotated Bother C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C)CC4)[C@H]3[C@H]3O[C@]132 ZINC000082052941 ED Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN(C)C)[C@H]3[C@H]3O[C@]132 ZINC000082052977 ED Annotated Anodyne CCOC(=O)[C@@]1(C(F)(F)F)N=C2C=C(C)C=CN2C(N)=C1C#N ZINC000082053227 ED Annotated Reactive CCOC(=O)[C@]1(C(F)(F)F)N=C2C=C(C)C=CN2C(N)=C1C#N ZINC000082053230 ED Annotated Reactive N#CCNC(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F ZINC000082065664 ED Annotated Mild OCCOCCNc1cncc(Oc2ccc(-n3cncn3)cc2)n1 ZINC000082068478 ED Annotated Anodyne CC(=O)Nc1cccc(Oc2cncc(NCCOCCO)n2)c1 ZINC000082068542 ED Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)OCCN)cc2)cs1 ZINC000082069819 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCN)C(C)C)co2)cc1 ZINC000082070122 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCN)C(C)C)co2)cc1 ZINC000082070123 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCN)C(C)C)co1 ZINC000082070146 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCN)C(C)C)co1 ZINC000082070147 ED Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)N2CCCNCC2)C(C)C)cs1 ZINC000082070186 ED Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)N2CCCNCC2)C(C)C)cs1 ZINC000082070187 ED Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)OCCN(C)C)C(C)C)cs1 ZINC000082070352 ED Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)cs1 ZINC000082070353 ED Annotated Anodyne CCc1nc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2N)cs1 ZINC000082070521 ED Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)NCc2ccccc2N)cs1 ZINC000082070522 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)N3CCNCC3)co2)cc1 ZINC000082070649 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)N3CCNCC3)co2)cc1 ZINC000082070650 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N2CCNCC2)co1 ZINC000082070671 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)N2CCNCC2)co1 ZINC000082070672 ED Annotated Anodyne CCc1nc(C(=O)N[C@@H](C)C(=O)NCCCN2CCCC2)cs1 ZINC000082070690 ED Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)NCCCN2CCCC2)cs1 ZINC000082070691 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCN(C)C)co2)cc1 ZINC000082070804 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCCN(C)C)co2)cc1 ZINC000082070805 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCN(C)C)co1 ZINC000082070830 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCN(C)C)co1 ZINC000082070831 ED Annotated Anodyne CCc1nc(C(=O)N[C@@H](C)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082070858 ED Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082070859 ED Annotated Anodyne CCc1nc(C(=O)N[C@@H](C)C(=O)OCCCCN(C)C)cs1 ZINC000082070860 ED Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)OCCCCN(C)C)cs1 ZINC000082070861 ED Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1csc(CC)n1 ZINC000082070862 ED Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1csc(CC)n1 ZINC000082070863 ED Annotated Anodyne CCCCOCCCNC(=O)CNC(=O)c1csc(CC)n1 ZINC000082071985 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)N3CCCNCC3)co2)cc1 ZINC000082072113 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)N2CCCNCC2)co1 ZINC000082072134 ED Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)OCCN)cs1 ZINC000082072201 ED Annotated Anodyne CN(C)CCOC(=O)CNC(=O)c1csc(-c2ccccc2)n1 ZINC000082072225 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)OCCN(C)C)co2)cc1 ZINC000082072264 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)OCCN(C)C)co1 ZINC000082072290 ED Annotated Anodyne CCCCOC(=O)COC(=O)CNC(=O)c1csc(CC)n1 ZINC000082072322 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCN)co2)cc1 ZINC000082073042 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCN)co2)cc1 ZINC000082073044 ED Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCCN(C)C)cs1 ZINC000082073511 ED Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H]2C(=O)OCCN(C)C)cs1 ZINC000082073515 ED Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)NCc2ccccc2N)cs1 ZINC000082073758 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)N3CCNCC3)co2)cc1 ZINC000082073879 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)N2CCNCC2)co1 ZINC000082073905 ED Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)NCCCN2CCCC2)cs1 ZINC000082073927 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCN(C)C)co2)cc1 ZINC000082074023 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCN(C)C)co1 ZINC000082074048 ED Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)OCCc2ccccn2)cs1 ZINC000082074064 ED Annotated Anodyne NCCN(CCO)CCOC(=O)c1csc(-c2ccccc2)n1 ZINC000082074697 ED Annotated Anodyne Cc1ccc(-c2nc(C(=O)OCCN(CCN)CCO)co2)cc1 ZINC000082074725 ED Annotated Anodyne Cc1ccccc1-c1nc(C(=O)OCCN(CCN)CCO)co1 ZINC000082074740 ED Annotated Anodyne NCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081404 ED Annotated Anodyne NCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081405 ED Annotated Anodyne CC(C)CNc1ccc2c(n1)C(=O)N([C@H](C)/C(O)=N/CCN(C)C)C2 ZINC000082081752 ED Annotated Mild CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)O ZINC000082082000 ED Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)O ZINC000082082002 ED Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(N)=O ZINC000082082264 ED Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(N)=O ZINC000082082266 ED Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN ZINC000082082364 ED Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN ZINC000082082365 ED Annotated Anodyne COC(=O)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(C)C ZINC000082082522 ED Annotated Anodyne COC(=O)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(C)C ZINC000082082523 ED Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(N)=O)cs2)c1 ZINC000082083332 ED Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(N)=O)cs2)c1 ZINC000082083335 ED Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCNCC1 ZINC000082083422 ED Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCNCC1 ZINC000082083425 ED Annotated Anodyne C[C@H](/C(O)=N/CCCO)N1Cc2ccc(-c3ccnn3C)nc2C1=O ZINC000082083835 ED Annotated Mild C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(C)C ZINC000082083895 ED Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(C)C ZINC000082083898 ED Annotated Anodyne NCCOC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084902 ED Annotated Anodyne NCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085344 ED Annotated Anodyne NCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085345 ED Annotated Anodyne NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085364 ED Annotated Bother NC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085365 ED Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)O)cs2)c1 ZINC000082085653 ED Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(N)=O)cs2)c1 ZINC000082085722 ED Annotated Anodyne CN(CC(=O)N1CCCNCC1)C(=O)c1coc(-c2cccs2)n1 ZINC000082085730 ED Annotated Anodyne CN(C)CCOC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 ZINC000082085816 ED Annotated Anodyne COC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085832 ED Annotated Bother O=C(N[C@@H]1CCCCNC1=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082086244 ED Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082086245 ED Annotated Anodyne CN(C)CCOCCOC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082086376 ED Annotated Anodyne CN(C)CCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 ZINC000082088101 ED Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)OCC(C)(C)N(C)C)cs1 ZINC000082088118 ED Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)OCCCCN(C)C)cs1 ZINC000082088119 ED Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(CC)n1 ZINC000082088120 ED Annotated Anodyne COC(=O)CNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082089336 ED Annotated Anodyne CC(C)CN1CCn2nc(CNc3ncnc4[nH]cnc34)cc2C1 ZINC000082098908 ED Annotated Anodyne CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccccc1 ZINC000082134243 ED Annotated Anodyne COCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082141817 ED Annotated Anodyne O=C(c1cnc(N2CCCC2)nc1-c1ccco1)N1CCOCC1 ZINC000082141976 ED Annotated Anodyne O=C(c1cnc(N2CCOCC2)nc1-c1ccco1)N1CCCC1 ZINC000082142523 ED Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(C(=O)OC)nn2)ON1C ZINC000082149182 ED Annotated Anodyne CCCC[C@H](O)Cn1cc(CN2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000082151826 ED Annotated Anodyne CCCC[C@@H](O)Cn1cc(CN2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000082151829 ED Annotated Anodyne NC(=O)c1noc(-c2c(F)c(F)c(N3CCOCC3)c(F)c2F)n1 ZINC000082152371 ED Annotated Anodyne CN(C)CCCN1C(=O)c2cccc3c2c(cc2nnn(C)c23)C1=O ZINC000082153188 ED Annotated Anodyne Cn1nnc2cc3c4c(cccc4c21)C(=O)N(CC[N+](C)(C)[O-])C3=O ZINC000082154453 ED Annotated Bother N#Cc1cnc(Nc2cc3c(cn2)ncn3CC2CCNCC2)cn1 ZINC000082154503 ED Annotated Mild CN1CCN(c2c(F)c(F)c(/C=C(\C#N)C(N)=O)c(F)c2F)CC1 ZINC000082155659 ED Annotated Reactive C=CCO[C@@H]1O[C@H](CSc2ncn[nH]2)[C@H]2OC3(CCCC3)O[C@H]21 ZINC000082156702 ED Annotated Mild CC(=O)NCCn1c(CC(C)C)nc2c(NCC3CC3)ncnc21 ZINC000082185803 ED Annotated Anodyne O=C(CNc1nc(-c2cc(O)cc(O)c2)cs1)NC[C@@H]1CCCO1 ZINC000082193692 ED Annotated Anodyne O=C(CNc1nc(-c2cc(O)cc(O)c2)cs1)NC[C@H]1CCCO1 ZINC000082193698 ED Annotated Anodyne COCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082195988 ED Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CC1)CC3 ZINC000082195990 ED Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082195991 ED Annotated Anodyne CN(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196064 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082198581 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082198582 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082198583 ED Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1nc(N2CCCN(C)CC2)ncc1C ZINC000082202365 ED Annotated Anodyne CCOC(=O)C[C@H](C)Nc1nc(N2CCCN(C)CC2)ncc1C ZINC000082202368 ED Annotated Anodyne CCOC(=O)C[C@H](C)Nc1nc(N2CCN(CC)CC2)ncc1C ZINC000082202387 ED Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1nc(N2CCN(CC)CC2)ncc1C ZINC000082202388 ED Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCC1CC1 ZINC000082203082 ED Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCC(C)C ZINC000082203083 ED Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCC3CC3)n2)CC1 ZINC000082203105 ED Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCC(C)C)n2)CC1 ZINC000082203106 ED Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H](C)CC)n2)CC1 ZINC000082203108 ED Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)CC)n2)CC1 ZINC000082203110 ED Annotated Anodyne CCCCNc1nc(N2CCN(CC(=O)OCC)CC2)ncc1C ZINC000082203111 ED Annotated Anodyne COC[C@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082203329 ED Annotated Anodyne COC[C@@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082203330 ED Annotated Anodyne COCCCNc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203356 ED Annotated Anodyne COC[C@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203357 ED Annotated Anodyne COC[C@@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203358 ED Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NC[C@H](C)CC)n2)CC1 ZINC000082203373 ED Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NC[C@@H](C)CC)n2)CC1 ZINC000082203375 ED Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCC(C)C)n2)CC1 ZINC000082203377 ED Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H](C)C(C)C)n2)CC1 ZINC000082203383 ED Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCc1ccccn1 ZINC000082203451 ED Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCCc1ccccn1 ZINC000082203472 ED Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(NCc3ccccn3)n2)C1 ZINC000082203477 ED Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3ccccn3)n2)C1 ZINC000082203479 ED Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCCOC(C)C)n2)C1 ZINC000082203486 ED Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCCOC(C)C)n2)C1 ZINC000082203487 ED Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCc3ccccn3)n2)C1 ZINC000082203499 ED Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCc3ccccn3)n2)C1 ZINC000082203500 ED Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1nc(N2CC[C@H](NC(C)=O)C2)ncc1C ZINC000082203714 ED Annotated Anodyne CCOC(=O)C[C@H](C)Nc1nc(N2CC[C@H](NC(C)=O)C2)ncc1C ZINC000082203715 ED Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204490 ED Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204499 ED Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2 ZINC000082204673 ED Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2 ZINC000082204676 ED Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2 ZINC000082204682 ED Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)CCN2 ZINC000082204690 ED Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 ZINC000082204739 ED Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204744 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)CCN2 ZINC000082204807 ED Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 ZINC000082204883 ED Annotated Mild C=CCn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205314 ED Annotated Mild CCCn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205534 ED Annotated Anodyne COCCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205822 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205966 ED Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCC)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205968 ED Annotated Mild CC(C)n1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206026 ED Annotated Anodyne COCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206139 ED Annotated Anodyne COCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206142 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206711 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206713 ED Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206812 ED Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206814 ED Annotated Anodyne COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@@H](C)N2 ZINC000082206971 ED Annotated Anodyne COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](C)N2 ZINC000082206972 ED Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C)N2 ZINC000082207111 ED Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C)N2 ZINC000082207112 ED Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C)N2 ZINC000082207114 ED Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C)N2 ZINC000082207117 ED Annotated Anodyne C[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207121 ED Annotated Anodyne C[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207124 ED Annotated Anodyne C[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207270 ED Annotated Anodyne C[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207272 ED Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207335 ED Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207336 ED Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207360 ED Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207362 ED Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)C[C@@H](CC)N2 ZINC000082207752 ED Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)C[C@H](CC)N2 ZINC000082207755 ED Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(CCOC)c2=O)N1 ZINC000082207762 ED Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(CCOC)c2=O)N1 ZINC000082207763 ED Annotated Anodyne CC[C@@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207908 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](CC)N2 ZINC000082208177 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082208179 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](CC)N2 ZINC000082208182 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082208186 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](CC)N2 ZINC000082208204 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082208209 ED Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(C(C)C)c2=O)N1 ZINC000082208337 ED Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(C(C)C)c2=O)N1 ZINC000082208339 ED Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)C[C@@H](CC)N2 ZINC000082208346 ED Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](CC)N2 ZINC000082208348 ED Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082208360 ED Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082208362 ED Annotated Anodyne CC[C@@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208406 ED Annotated Anodyne CC[C@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208408 ED Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209555 ED Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209558 ED Annotated Anodyne C=CCn1c(=O)c(NC(C)=O)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209901 ED Annotated Mild C=CCn1c(=O)c(NC(C)=O)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209904 ED Annotated Mild CCCn1c(=O)c(NC(C)=O)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210450 ED Annotated Anodyne CCCn1c(=O)c(NC(C)=O)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210451 ED Annotated Anodyne C=CCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082210717 ED Annotated Mild C=CCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210718 ED Annotated Mild C=CCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082210721 ED Annotated Mild C=CCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210723 ED Annotated Mild C=CCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082210730 ED Annotated Mild C=CCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210735 ED Annotated Mild C=CCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](C)CN2 ZINC000082210755 ED Annotated Mild C=CCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](C)CN2 ZINC000082210756 ED Annotated Mild C=CCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082210758 ED Annotated Mild C=CCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210759 ED Annotated Mild COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211179 ED Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211180 ED Annotated Anodyne COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211200 ED Annotated Anodyne COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211201 ED Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](C)CN2 ZINC000082211205 ED Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](C)CN2 ZINC000082211206 ED Annotated Anodyne CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211218 ED Annotated Anodyne CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211219 ED Annotated Anodyne CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211222 ED Annotated Anodyne CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211223 ED Annotated Anodyne CC(C)n1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211360 ED Annotated Anodyne CC(C)n1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211362 ED Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211371 ED Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211374 ED Annotated Anodyne C[C@@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082211566 ED Annotated Anodyne C[C@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082211570 ED Annotated Anodyne C[C@@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211786 ED Annotated Anodyne C[C@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211788 ED Annotated Anodyne COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](C)CN2 ZINC000082211966 ED Annotated Anodyne COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211968 ED Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@H](C)CN2 ZINC000082212086 ED Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@@H](C)CN2 ZINC000082212089 ED Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@H](C)CN2 ZINC000082212098 ED Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H](C)CN2 ZINC000082212101 ED Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](C)CN2 ZINC000082212128 ED Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](C)CN2 ZINC000082212130 ED Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](C)CN2 ZINC000082212131 ED Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](C)CN2 ZINC000082212133 ED Annotated Anodyne C[C@@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212143 ED Annotated Anodyne C[C@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212146 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212382 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212383 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212404 ED Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212407 ED Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](C)CN2 ZINC000082212646 ED Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](C)CN2 ZINC000082212649 ED Annotated Anodyne CCN1CCN(c2ncc(C)c(NCCc3ccccn3)n2)CC1 ZINC000082212832 ED Annotated Anodyne CC[C@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082213049 ED Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082213052 ED Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082213053 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082219269 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082219271 ED Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082219273 ED Annotated Anodyne CC(C)n1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)CCN2 ZINC000082224096 ED Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082224144 ED Annotated Mild COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224146 ED Annotated Anodyne COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224149 ED Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](C)CN2 ZINC000082224530 ED Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082224532 ED Annotated Anodyne COCCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082227961 ED Annotated Anodyne CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](CC)N2 ZINC000082227980 ED Annotated Anodyne CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082227982 ED Annotated Anodyne CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](CC)N2 ZINC000082227989 ED Annotated Anodyne CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082227991 ED Annotated Anodyne CO[C@@H]1C=C2CCN(C)[C@@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]21)OCO4 ZINC000082230079 ED Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@@H]3C)ccc2[nH]c1=O ZINC000082231301 ED Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@H]3C)ccc2[nH]c1=O ZINC000082231302 ED Annotated Anodyne CCOC(=O)CCc1nc2nc(N(CCO)C(C)C)ccc2[nH]c1=O ZINC000082231417 ED Annotated Anodyne CC[C@@H](C)c1nc2nc(N(C[C@@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231434 ED Annotated Anodyne CC[C@H](C)c1nc2nc(N(C[C@@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231435 ED Annotated Anodyne CC[C@@H](C)c1nc2nc(N(C[C@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231436 ED Annotated Anodyne CC[C@H](C)c1nc2nc(N(C[C@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231437 ED Annotated Anodyne CC[C@@H](C)c1nc2nc(N3CCN(C(C)=O)CC3)ccc2[nH]c1=O ZINC000082231443 ED Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCN(C(C)=O)CC3)ccc2[nH]c1=O ZINC000082231444 ED Annotated Anodyne CC(C)Cc1nc2nc(N(C[C@@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231447 ED Annotated Anodyne CC(C)Cc1nc2nc(N(C[C@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231448 ED Annotated Anodyne CC(C)Cc1nc2nc(N(C[C@H](C)O)C[C@H](C)O)ccc2[nH]c1=O ZINC000082231449 ED Annotated Anodyne CCCCc1nc2nc(N(C[C@@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231467 ED Annotated Anodyne CCCCc1nc2nc(N(C[C@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231468 ED Annotated Anodyne CCCCc1nc2nc(N(C[C@H](C)O)C[C@H](C)O)ccc2[nH]c1=O ZINC000082231469 ED Annotated Anodyne CCCCc1nc2nc(N3CCN(C(C)=O)CC3)ccc2[nH]c1=O ZINC000082231473 ED Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(=O)c(C)nc3n2)C1 ZINC000082231504 ED Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2ccc3[nH]c(=O)c(C)nc3n2)C1 ZINC000082231505 ED Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@@H](C)C[C@@H](C)C3)ccc2[nH]c1=O ZINC000082231521 ED Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@@H](C)C[C@H](C)C3)ccc2[nH]c1=O ZINC000082231522 ED Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@H](C)C[C@@H](C)C3)ccc2[nH]c1=O ZINC000082231523 ED Annotated Anodyne CSCCc1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O ZINC000082231589 ED Annotated Anodyne CSCCc1nc2nc(N3CCC[C@H](CO)C3)ccc2[nH]c1=O ZINC000082231590 ED Annotated Anodyne CSCCc1nc2nc(N3CCC[C@@H](CO)C3)ccc2[nH]c1=O ZINC000082231591 ED Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC(C)CC3)ccc2[nH]c1=O ZINC000082231670 ED Annotated Anodyne CCCCc1nc2nc(N3CC[C@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000082231771 ED Annotated Anodyne CCCCc1nc2nc(N3CC[C@@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000082231772 ED Annotated Anodyne CC[C@@H](C)c1nc2nc(N3CC[C@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000082231785 ED Annotated Anodyne CC[C@H](C)c1nc2nc(N3CC[C@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000082231786 ED Annotated Anodyne CC(=O)N[C@H]1CCN(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 ZINC000082231792 ED Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 ZINC000082231793 ED Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000082231799 ED Annotated Anodyne CC(=O)N[C@H]1CCN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000082231800 ED Annotated Anodyne CC(=O)N1CCN(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)CC1 ZINC000082232170 ED Annotated Anodyne CSCCc1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O ZINC000082232185 ED Annotated Anodyne CCn1ccnc1CN1CCCN(C(=O)Cc2csc(C)n2)CC1 ZINC000083843624 ED Annotated Anodyne COc1cc(Br)cc(CN[C@@H]2CCCNC2=O)c1O ZINC000083921282 ED Annotated Clean COc1cc(Br)cc(CN[C@H]2CCCNC2=O)c1O ZINC000083921284 ED Annotated Clean CCC[C@H]1O[C@@H]2CC(=O)O[C@H]2C2=C1C(=O)c1c(O)cccc1C2=O ZINC000083922168 ED Annotated Mild in-vitro C[C@@H](C[C@@H](C)[C@H](O)[C@@H](C)C(=O)O)[C@H](O)CC(=O)c1ccc(N)cc1 ZINC000083923162 ED Annotated Anodyne in-vitro C[C@H](C[C@@H](C)[C@H](O)CC(=O)c1ccc(N)cc1)[C@H](O)[C@@H](C)C(=O)O ZINC000083923164 ED Annotated Anodyne in-vitro C[C@@H](C[C@H](C)[C@H](O)CC(=O)c1ccc(N)cc1)[C@H](O)[C@@H](C)C(=O)O ZINC000083923165 ED Annotated Anodyne in-vitro C[C@@H](C[C@@H](C)[C@H](O)CC(=O)c1ccc(N)cc1)[C@H](O)[C@@H](C)C(=O)O ZINC000083923167 ED Annotated Anodyne in-vitro C[C@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1 ZINC000083924453 ED Annotated Clean in-vitro C[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1 ZINC000083924455 ED Annotated Clean in-vitro O=C1C=CC[C@H](C[C@H](O)C[C@@H](O)C[C@@H](O)/C=C/c2ccccc2)O1 ZINC000084154300 ED Annotated Anodyne in-vitro biogenic O=C1C=CC[C@H](C[C@@H]2C[C@@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 ZINC000084154378 ED Annotated Anodyne in-vitro biogenic O=C1C=CC[C@H](C[C@@H]2C[C@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 ZINC000084154402 ED Annotated Anodyne in-vitro biogenic O=C1C=CC[C@H](C[C@@H]2C[C@@H](O)[C@@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 ZINC000084154412 ED Annotated Anodyne in-vitro biogenic Cc1ccc(-c2cc(CS(=O)(=O)N[C@@H]3CCCNC3=O)on2)cc1 ZINC000084171870 ED Annotated Anodyne Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)Nc3c(C)n[nH]c3C)C2)o1 ZINC000084258749 ED Annotated Anodyne Cc1cnc(CN(C)[C@H]2CCN(CC(=O)Nc3c(C)n[nH]c3C)C2)o1 ZINC000084258752 ED Annotated Anodyne COC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 ZINC000084462624 ED Annotated Anodyne C=C(C)[C@@H]1CC(=O)C[C@]23O[C@]4(C)C[C@H]5OC(=O)[C@H]([C@H]5[C@H]4C2=O)[C@H]3C1 ZINC000084466490 ED Annotated Mild O=c1[nH]nc2cc(CNCCCO)c3ccc(-c4ccc[nH]4)cc3n12 ZINC000084602567 ED Annotated Anodyne O=c1[nH]nc2cc(CN3CC[C@H](O)C3)c3ccc(-c4ccc[nH]4)cc3n12 ZINC000084602832 ED Annotated Anodyne C#CCN1CCc2nc3nc(N4CCCC4)c(C#N)cc3c(N)c2C1 ZINC000084604055 ED Annotated Mild CC(C)CO[C@H]1[C@@H](C)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)N=[N+]=[N-] ZINC000084604322 ED Annotated Clean CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/C2CCCCC2)[nH]c1=O ZINC000084604823 ED Annotated Anodyne CC(C)COC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](C)[C@@H]1O ZINC000084616457 ED Annotated Clean c1nc(NCC2CC2)c2nc(N3CCNCC3)nc(NC3CC3)c2n1 ZINC000084618463 ED Annotated Anodyne COC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3 ZINC000084618574 ED Annotated Anodyne Cc1cccc(/C(=N/O)[C@H](O)CN2CCN(c3ccccn3)CC2)c1 ZINC000084623687 ED Annotated Mild Cc1cccc(/C(=N/O)[C@@H](O)CN2CCN(c3ccccn3)CC2)c1 ZINC000084623689 ED Annotated Mild CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(OC)cc2)CC1(C)C ZINC000084652343 ED Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(OC)cc2)CC1(C)C ZINC000084652344 ED Annotated Reactive N=c1oc2ccc(Br)cc2cc1C(=O)NCCCO ZINC000084652363 ED Annotated Anodyne CC1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@H]1O ZINC000084653025 ED Annotated Bother CC1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@@H]1O ZINC000084653026 ED Annotated Bother CC1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@H]1O ZINC000084653027 ED Annotated Bother CC1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@@H]1O ZINC000084653028 ED Annotated Bother C#CCSc1nnc(CCC)n1N1C(=O)c2ccccc2C1=O ZINC000084653139 ED Annotated Mild CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccccc2F)CC1(C)C ZINC000084653593 ED Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccccc2F)CC1(C)C ZINC000084653594 ED Annotated Reactive NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@H]1CCCC[C@@H]1O ZINC000084654667 ED Annotated Anodyne CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)OCCOCCOCCO ZINC000084669402 ED Annotated Mild CC(C)CSc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO ZINC000084669736 ED Annotated Anodyne Nc1nc(SC2CCCC2)c2ncn(/C=C3/CC3(CO)CO)c2n1 ZINC000084669737 ED Annotated Anodyne Nc1nn(-c2cncc(-n3ccc(CC(=O)O)c3)n2)c2ccccc12 ZINC000084670231 ED Annotated Anodyne Nc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1 ZINC000084670232 ED Annotated Anodyne CCOc1ccc2c(c1)CCN[C@@H]2c1ccc(S(N)(=O)=O)cc1 ZINC000084670514 ED Annotated Anodyne CCOc1ccc2c(c1)CCN[C@H]2c1ccc(S(N)(=O)=O)cc1 ZINC000084670515 ED Annotated Anodyne O=C(OCCO)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000084670664 ED Annotated Clean CC1(C)OC(=O)c2c1ccn(C[C@H](O)COc1ccccc1)c2=O ZINC000084670885 ED Annotated Anodyne CC1(C)OC(=O)c2c1ccn(C[C@@H](O)COc1ccccc1)c2=O ZINC000084670886 ED Annotated Anodyne O=C(C[S@](=O)C1c2ccccc2-c2ccccc21)N1CCNCC1 ZINC000084671232 ED Annotated Anodyne O=C(C[S@@](=O)C1c2ccccc2-c2ccccc21)N1CCNCC1 ZINC000084671233 ED Annotated Anodyne CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(CC2CCOCC2)C1 ZINC000084671337 ED Annotated Anodyne CC(=O)N(Cc1noc(C2CC2)n1)[C@H]1CCN(CC2CCOCC2)C1 ZINC000084671339 ED Annotated Anodyne CCOCn1c(Cc2cc(C)cc(C)c2)c(N(C)C)c(=O)[nH]c1=O ZINC000084671447 ED Annotated Anodyne CCSc1nn2c(=O)c(C#N)c(N)c(C#N)c2n1-c1ccccc1 ZINC000084671660 ED Annotated Mild O=C(NCCCn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)nc1 ZINC000084671988 ED Annotated Bother O=C(NCCCn1cnc([N+](=O)[O-])n1)c1ccc2ccccc2n1 ZINC000084671989 ED Annotated Bother C[C@H]1CN(c2ncnc3c2nc(C2CC2)n3[C@@H]2CCNC2)C[C@@H](C)O1 ZINC000084687655 ED Annotated Anodyne C[C@H]1CN(c2ncnc3c2nc(C2CC2)n3[C@H]2CCNC2)C[C@@H](C)O1 ZINC000084687656 ED Annotated Anodyne O=C(NCCCCn1cnc([N+](=O)[O-])n1)c1ccc2ccccc2n1 ZINC000084688245 ED Annotated Bother O=C(c1ccccc1)c1ccc2[nH]/c(=N/C(=O)[C@@H]3CCCN3)[nH]c2c1 ZINC000084688705 ED Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@H](O)c2ccccc2)C(C)(C)N1 ZINC000084689429 ED Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@@H](O)c2ccccc2)C(C)(C)N1 ZINC000084689430 ED Annotated Anodyne COC(=O)c1cn(-c2ccc3nc(N4CCOCC4)sc3c2)nn1 ZINC000084689708 ED Annotated Anodyne CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(C)cc2)CC1(C)C ZINC000084690786 ED Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(C)cc2)CC1(C)C ZINC000084690787 ED Annotated Reactive CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(F)cc2)CC1(C)C ZINC000084704249 ED Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(F)cc2)CC1(C)C ZINC000084704252 ED Annotated Reactive CC(C)NC(=O)c1nn(-c2ccc(O)cc2)c(=O)c2c(N)scc12 ZINC000084705053 ED Annotated Anodyne CCOC(=O)[C@]1(NC(=O)NNC(=O)c2cccs2)CC1(C)C ZINC000084706683 ED Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2cccs2)CC1(C)C ZINC000084706685 ED Annotated Reactive COC(=O)c1c(C(F)(F)F)nn(C[C@@H]2CCCO2)c(=O)c1OC ZINC000084707880 ED Annotated Anodyne COC(=O)c1c(C(F)(F)F)nn(C[C@H]2CCCO2)c(=O)c1OC ZINC000084707882 ED Annotated Anodyne O=C(O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084708498 ED Annotated Anodyne O=C(O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084708501 ED Annotated Anodyne COC(=O)c1c(C(F)(F)F)nn(Cc2ccco2)c(=O)c1OC ZINC000084708648 ED Annotated Anodyne COC(=O)c1c(C(F)(F)F)nn(-c2ccc(F)cc2)c(=O)c1O ZINC000084710080 ED Annotated Anodyne Cn1nc(C(F)(F)F)c(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000084711785 ED Annotated Anodyne COC(=O)c1c(C(F)(F)F)nn(Cc2ccccn2)c(=O)c1O ZINC000084713086 ED Annotated Anodyne COC(=O)c1c(C(F)(F)F)nn(Cc2ccccn2)c(=O)c1OC ZINC000084713088 ED Annotated Anodyne COC(=O)c1c(C(F)(F)F)nn(Cc2cccnc2)c(=O)c1OC ZINC000084713092 ED Annotated Anodyne CC1(C)OC(=O)c2c1ccn(CCNc1ccc([N+](=O)[O-])cn1)c2=O ZINC000084713112 ED Annotated Bother CCOC(=O)CSc1nnc(C)n1N1C(=O)c2ccccc2C1=O ZINC000084714389 ED Annotated Anodyne CCCCCOc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO ZINC000084722910 ED Annotated Anodyne CCCCCCOc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO ZINC000084722914 ED Annotated Anodyne NC(=S)N/N=C1\CCS(=O)(=O)c2ccc(C(F)(F)F)cc21 ZINC000084728556 ED Annotated Mild CCOC(=O)[C@]1(NC(=O)NN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000084729051 ED Annotated Anodyne CCOC(=O)[C@@]1(NC(=O)NN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000084729055 ED Annotated Anodyne CCC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC000084729275 ED Annotated Mild CCC#CCN1CCC[C@@H]1CNC(=O)[C@H]1COc2ccccc2O1 ZINC000084729279 ED Annotated Mild C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)C=CC5=O)[C@]3(C2)[C@@H]1O ZINC000084732645 ED Annotated Mild in-vitro biogenic COc1ccc2nccc([C@@H](c3nnn[nH]3)N3CCOCC3)c2c1 ZINC000084733109 ED Annotated Anodyne COc1ccc2nccc([C@H](c3nnn[nH]3)N3CCOCC3)c2c1 ZINC000084733111 ED Annotated Anodyne CCCCSc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO ZINC000084739813 ED Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](OC)N(C[C@H]2O)[C@H]3C1)OCO5 ZINC000084740023 ED Annotated Anodyne C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)[C@H]3CC(=O)[C@@]21CO3 ZINC000084741837 ED Annotated Reactive CC1(C)[C@H]2CC(=O)[C@@]3(CO2)[C@@H]2CC[C@@H](C(=O)O)C[C@H]2C(=O)[C@@H](O)[C@H]13 ZINC000084741839 ED Annotated Anodyne CCn1c(Cc2nc(N3CCOCC3)cc(=O)[nH]2)nc2ccccc21 ZINC000084757967 ED Annotated Anodyne O=C(O)C(=O)N[C@@H](CSSc1nc2ccccc2o1)C(=O)O ZINC000084758065 ED Annotated Reactive CC1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@H]1O ZINC000084758212 ED Annotated Bother CC1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@@H]1O ZINC000084758213 ED Annotated Bother CC1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@H]1O ZINC000084758214 ED Annotated Bother CC1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@@H]1O ZINC000084758215 ED Annotated Bother COc1cc(O)c2c(c1O)[C@H](OC)[C@H]1C[C@](C)(O)[C@H](O)C[C@H]1C2=O ZINC000084758395 ED Annotated Anodyne O=C(O)Cc1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084758892 ED Annotated Anodyne O=C(O)Cc1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084758893 ED Annotated Anodyne O=Cc1ccn(-c2cc3c(=O)n(O)c(O)nc3cc2C(F)(F)F)c1 ZINC000084759466 ED Annotated Anodyne C=CCCC(=O)NCCCN1CCc2nc(C(=O)NO)sc2C1 ZINC000084759620 ED Annotated Mild O=C(NCCn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000084923902 ED Annotated Bother C/C=C/C=C/C(=O)O[C@@H]1CC/C=C/[C@@H](O)[C@H](O)[C@H](CCC)OC1=O ZINC000008552035 ED Annotated Anodyne C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]21 ZINC000008552071 ED Annotated Mild in-man endogenous C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 ZINC000008552072 ED Annotated Mild in-man endogenous C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2C[C@@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]21 ZINC000008552073 ED Annotated Mild in-man endogenous C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 ZINC000008552074 ED Annotated Mild in-man endogenous CCOc1ccc(N2C(=O)C[C@@H](N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 ZINC000008575458 ED Annotated Anodyne O=C1C=C[C@@H](O)[C@H]2[C@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]21 ZINC000008585757 ED Annotated Mild COC(=O)CS(=O)(=O)c1nc2ccccc2nc1N1CCCCC1 ZINC000008592315 ED Annotated Anodyne COCCNC(=O)c1c(C)oc2nc(C)nc(N3CCOCC3)c12 ZINC000008596816 ED Annotated Anodyne CN1C(=O)[C@]2(c3ccccc31)N(c1ccccc1)C(=O)CS2(=O)=O ZINC000008597527 ED Annotated Anodyne aggregator CN1C(=O)[C@@]2(c3ccccc31)N(c1ccccc1)C(=O)CS2(=O)=O ZINC000008597529 ED Annotated Anodyne aggregator CC(C)NC(=O)c1cnc2sc(N3CCCCCC3)nn2c1=O ZINC000008603441 ED Annotated Anodyne CCCNC(=O)c1cnc2sc(N3CCCCCC3)nn2c1=O ZINC000008603447 ED Annotated Anodyne COC(=O)CCn1cnc2onc(-c3cc(F)cc(F)c3)c2c1=O ZINC000008603738 ED Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NC(C)(C)C ZINC000008604739 ED Annotated Anodyne CCOC(=O)[C@H](CC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000008608343 ED Annotated Anodyne CCOC(=O)[C@@H](CC)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000008608346 ED Annotated Anodyne CCCN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1 ZINC000008608780 ED Annotated Anodyne CC(=N)[C@H](C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N ZINC000008656275 ED Annotated Mild COC(=O)[C@@]12CC3=C[C@H](CC3=O)Cc3ccccc3[C@@H]1CNC2=O ZINC000008682266 ED Annotated Mild COC(=O)[C@]12CC3=C[C@H](CC3=O)Cc3ccccc3[C@@H]1CNC2=O ZINC000008682267 ED Annotated Mild CCCCc1ccc2c(c1)c(O)c(C(=O)c1nn[nH]n1)c(=O)n2C ZINC000008828901 ED Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)CC[C@@H](O)[C@@]2(C)[C@@H]13 ZINC000008829469 ED Annotated Anodyne in-vitro biogenic CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)CC[C@@H](O)[C@@]2(C)[C@H]13 ZINC000008829470 ED Annotated Anodyne CC(C)CCNC(=O)c1cnc2sc(N3CCCCC3)nn2c1=O ZINC000008831235 ED Annotated Anodyne CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@](C)(O)C(=O)C2=CO1 ZINC000008860614 ED Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@@](C)(O)C(=O)C2=CO1 ZINC000008860615 ED Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)OC=C2C1=O ZINC000008860652 ED Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)OC=C2C1=O ZINC000008860653 ED Annotated Mild CCC(=O)O[C@]1(C)C(=O)C=C2C=C(CCCC(=O)OC)OC=C2C1=O ZINC000008860682 ED Annotated Mild CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(CCCC(=O)OC)OC=C2C1=O ZINC000008860683 ED Annotated Mild C[C@@H]1N[C@H](CC[C@H](O)CCCCCC[C@@H](O)CC(=O)O)CC[C@H]1O ZINC000085488294 ED Annotated Anodyne in-vitro biogenic C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085489507 ED Annotated Mild in-vitro biogenic COC1=C[C@@]23CCC(=O)N2CCc2cc4c(cc2[C@H]3[C@H]1O)OCO4 ZINC000085490178 ED Annotated Anodyne in-vitro biogenic CN1C[C@]2(C)CCC[C@@]34[C@@H]5C[C@@H]6CC[C@]5([C@H](O)[C@]6(O)CO)[C@@H](C[C@@H]32)[C@@H]14 ZINC000085493565 ED Annotated Anodyne in-vitro biogenic COC(=O)[C@H]1[C@@H]2C[C@@H]3C4=Nc5ccccc5[C@@]41CCN3C/C2=C\CO ZINC000085507407 ED Annotated Anodyne in-vitro biogenic CCC1=N[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3OC[C@@H]2[C@@H]1[C@H]3O ZINC000085508458 ED Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1[C@@H]2C[C@H](OC(=O)/C(C)=C\C)C[C@H]([C@H]1O)N2C ZINC000085508530 ED Annotated Anodyne in-vitro biogenic COC1=C[C@@]23CCCN2C[C@H](O)c2cc4c(cc2[C@H]3[C@@H]1O)OCO4 ZINC000085508544 ED Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)OC[C@]32C(=O)C=CC(C)(C)[C@H]2C=O)[C@@H]1O ZINC000085508892 ED Annotated Mild in-vitro biogenic O=C1CC=C2[C@H]3C[C@@H]4N(CC[C@]45c4ccccc4N1[C@H]25)C/C3=C\CO ZINC000085510053 ED Annotated Anodyne in-vitro biogenic O=C1C[C@H](CCCO)C[C@@H]2[C@H]3CCCN4CCC[C@@H]([C@@H]34)[C@H](CO)N12 ZINC000085510702 ED Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000085511451 ED Annotated Mild in-vitro biogenic CON1C(=O)[C@@]2(C[C@H]3N=C(C(C)=O)[C@H]4C[C@@H]2OC[C@H]43)c2ccccc21 ZINC000085531277 ED Annotated Anodyne in-vitro biogenic C/C=C1\C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H](OC1=O)[C@H]23 ZINC000085531583 ED Annotated Anodyne in-vitro biogenic C/C=C1\C[C@H](C)[C@](C)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000085531969 ED Annotated Anodyne in-vitro biogenic COC1=C[C@]23C[C@@]4(CN(C)[C@@H]4C2=CC1=O)c1ccc(OC)c(O)c13 ZINC000085532541 ED Annotated Mild in-vitro biogenic C=C1OCC2=CCN3CC[C@@H](CC(=O)[C@@H](C(C)C)[C@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000085541179 ED Annotated Mild in-vitro biogenic COc1cccc2c1[C@H](O)[C@@]1(O)C=CC3=C(C(=O)C[C@H](C)C3)[C@@H]1[C@H]2O ZINC000085546359 ED Annotated Mild C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H](CN[C@H]2CC[C@@H](O)C2)[C@@]2(O)CN12 ZINC000085547770 ED Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@]1(C)[C@@H]2CC[C@H]3CCC[C@H]4[C@H](O)C(C(=O)O)=C(C2)[C@@]341 ZINC000085549024 ED Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@]1(C)[C@@H]2CC[C@@H](C)[C@]13C[C@H](C=O)C(C(=O)O)=C3C2 ZINC000085549038 ED Annotated Mild in-vitro biogenic CNCC[C@@]1(CNC(=N)NC)[C@@H]2CC[C@@H](C)[C@]13CCC(C(=O)O)=C3C2 ZINC000085549061 ED Annotated Anodyne in-vitro biogenic CCC[C@H]1O[C@H](CC(=O)O)C[C@]23O[C@]12C(=O)c1c(O)cccc1C3=O ZINC000085550486 ED Annotated Clean C=C1[C@@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085559347 ED Annotated Mild COC(=O)[C@]12O[C@@]1(CC(CO)=C(C)C)C(=O)c1ccccc1C2=O ZINC000085592752 ED Annotated Clean in-vitro biogenic CC1=CC(=O)[C@]2(O)C3=C(CC[C@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000085614280 ED Annotated Mild in-vitro C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000085616439 ED Annotated Anodyne O=c1c(O)c(/C=C/CO)ccc2c(/C=C/CO)c(O)c(O)c(O)c12 ZINC000085637611 ED Annotated Clean O=C/C=C/c1ccc2c(/C=C/CO)c(O)c(O)c(O)c2c(=O)c1O ZINC000085637615 ED Annotated Reactive CCCCCC1=C(C=O)[C@H]2OC(C)(C)[C@H](O)C[C@@]2(O)[C@H](Cl)[C@H]1O ZINC000085639995 ED Annotated Reactive CC1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@@H]1OC=C=O ZINC000085643210 ED Annotated Anodyne in-vitro biogenic CN1C=C2C(=C(Br)C(=O)C3=C2S(=O)(=O)C=CN3)CC1 ZINC000085646631 ED Annotated Mild CC(=O)O[C@]1(C)CC[C@](O)([C@](C)(O)CCC=C(C)C)[C@H](O)[C@H]1O ZINC000085647891 ED Annotated Anodyne CC(=O)O[C@@H]1c2occ(C)c2[C@@H]2OC(=O)[C@@]3(CC[C@H]4O[C@]14C)O[C@@H]23 ZINC000085693720 ED Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC(=O)N3C[C@@H]2O ZINC000085730407 ED Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@H](O)C=C1CCN3CC2 ZINC000085731065 ED Annotated Anodyne CC1=CC(=O)[C@@]2(O)C3=C(C=C[C@@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000085731766 ED Annotated Mild CCC[C@@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)c1c(O)cccc1C2=O ZINC000085764142 ED Annotated Mild in-man CCCN(Cc1cnn(C)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085794546 ED Annotated Anodyne CCCN(Cc1cnn(C)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085794549 ED Annotated Anodyne C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085799976 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085799978 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800025 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800026 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800029 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800030 ED Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800032 ED Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800034 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12OC(=O)[C@](C)(C=C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800170 ED Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12OC(=O)[C@](C)(C=C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800172 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)(C=C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800213 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)(C=C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800215 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)(C[C@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800217 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)(C[C@@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800218 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12C=CC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800274 ED Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]12C=CC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800277 ED Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@]2(C)C(=O)O[C@]31CC[C@H]2O ZINC000085800289 ED Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@]2(C)C(=O)O[C@]31CC[C@@H]2O ZINC000085800291 ED Annotated Mild in-man CO[C@@H]1C=C[C@]23c4cc5c(cc4C(=O)O[C@@H]2CN(C)[C@H]3C1)OCO5 ZINC000085808098 ED Annotated Anodyne CC(=O)O[C@@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@@H]3C1)OCO5 ZINC000085828189 ED Annotated Anodyne COc1cc2c(c(OC)c1O)CN1C[C@H](O)[C@]23CC[C@@H](OC)C[C@H]13 ZINC000085829809 ED Annotated Anodyne CC#CC#C/C=C1/O[C@@]2(CCCCO2)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000085836898 ED Annotated Mild Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H](O)[C@@H]([C@@]1(C)CO1)O3 ZINC000085841726 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H](O)[C@@H]([C@]1(C)CO1)O3 ZINC000085841731 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H](O)[C@H]([C@@]1(C)CO1)O3 ZINC000085841735 ED Annotated Bother in-man Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H](O)[C@H]([C@]1(C)CO1)O3 ZINC000085841739 ED Annotated Bother in-man COc1cc2c(cc1O)[C@@H](c1ccc(O)c(O)c1)[C@H](CO)[C@H](CO)C2 ZINC000085858903 ED Annotated Clean in-vitro biogenic COc1cc2c(cc1O)[C@@H](c1ccc(O)c(O)c1)[C@@H](CO)[C@H](CO)C2 ZINC000085858906 ED Annotated Clean in-vitro biogenic COc1cc2c(cc1O)[C@]13C[C@@H](OC)[C@H](O)C=C1CCN3CCC2 ZINC000085869952 ED Annotated Anodyne CCCCCCCC1=CC2=CC(=O)O[C@H]2[C@](C)(O)[C@]1(O)C(=O)OC ZINC000085897811 ED Annotated Mild C/C=C(/C)C(=O)OCC1=CCN2CC[C@@H](OC(=O)/C=C(/C)CO)[C@@H]12 ZINC000085924640 ED Annotated Anodyne COc1cc(O)c2c(c1O)C(=O)C(O)=C(/C=C/C=C/C(C)=O)C2=O ZINC000085936266 ED Annotated Mild CC(=O)C1=C[C@@]23C[C@@H](C1)[C@H](O)n1c2c(c2ccccc21)CCNC3=O ZINC000085974548 ED Annotated Mild CO[C@@H]1C=C2CCN(C)[C@H]2[C@H]2c3cc4c(cc3[C@H](O)O[C@H]12)OCO4 ZINC000085977009 ED Annotated Anodyne Cn1c(CCCNC(=O)c2cc(Br)c[nH]2)cnc1N ZINC000085989340 ED Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1OS(=O)(=O)O ZINC000085989440 ED Annotated Anodyne COC1=CC(=O)C([C@@H]2COc3c(ccc(O)c3OC)C2)=C(OC)C1=O ZINC000085996078 ED Annotated Mild in-vitro biogenic CC1(C)Oc2ccc3ccc(=O)oc3c2C[C@H]1OS(=O)(=O)O ZINC000085997655 ED Annotated Anodyne COc1c(CC(=O)C(C)(C)O)c(=O)n(C)c2c3c(ccc12)OCO3 ZINC000085998295 ED Annotated Anodyne CC(=O)O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@H]1O)[C@@H]23)OCO4 ZINC000086021442 ED Annotated Anodyne CC1=C(O)C(=O)C(COCC2=C(C)C(=O)C(C)=C(O)C2=O)=C(C)C1=O ZINC000086031076 ED Annotated Mild C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1[C@@H](O)[C@H]23)Nc1ccccc14 ZINC000086034151 ED Annotated Anodyne Cc1cc2ccc3c(c2c[n+]1[C@H](C(=O)O)[C@H](C)O)O[C@H](C(C)(C)O)C3 ZINC000086035140 ED Annotated Mild C[C@H](CO)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)C=CC[C@@]2(C)[C@@H]13 ZINC000086040440 ED Annotated Anodyne C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@]1(C)O2)[C@H]34 ZINC000086041703 ED Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@H](O)[C@H](OC(=O)/C(C)=C/C)[C@@H](C1)N2C ZINC000086049492 ED Annotated Anodyne in-man endogenous O=C(NCCc1nnc2n1CCC2)NCC1(c2ccccc2F)CC1 ZINC000086401229 ED Annotated Anodyne N[C@@H](C(=O)NCCc1ccc(O)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000087672214 ED Annotated Bother CC(C)(C)c1ccc(C(=O)C[C@H]2CC[C@@H](O)[C@H]3[C@H](O)[C@H](O)CN32)cc1 ZINC000087722493 ED Annotated Anodyne COc1cc(C(F)F)cc(OC)c1OC(=O)[C@@H](N)CCC(=O)O ZINC000087722738 ED Annotated Anodyne CC(C)(C)OC(=O)[C@@](C)(Cc1csc(N)n1)O/N=C\C(=O)O ZINC000089229057 ED Annotated Mild CC(C)(C)OC(=O)[C@](C)(Cc1csc(N)n1)O/N=C\C(=O)O ZINC000089229059 ED Annotated Mild CC(C)(C)c1ccc(C(=O)C[C@@H]2CC[C@@H](O)[C@H]3[C@H](O)[C@H](O)CN23)cc1 ZINC000089455848 ED Annotated Anodyne CNC(=O)O[C@@H]1C[C@]2(C)C(=C[C@@H]1O)C=C1C(=C(C)C(=O)N1C)[C@H]2C ZINC000089464905 ED Annotated Anodyne CNC(=O)O[C@@H]1C[C@]2(C)C(=C[C@H]1O)C=C1C(=C(C)C(=O)N1C)[C@H]2C ZINC000089464906 ED Annotated Anodyne CNC(=O)O[C@H]1C[C@]2(C)C(=C[C@@H]1O)C=C1C(=C(C)C(=O)N1C)[C@H]2C ZINC000089464908 ED Annotated Anodyne CNC(=O)O[C@H]1C[C@]2(C)C(=C[C@H]1O)C=C1C(=C(C)C(=O)N1C)[C@H]2C ZINC000089464911 ED Annotated Anodyne COc1ccc(Cl)cc1-c1cc(NC(=O)[C@@H]2CNC(=O)N2)[nH]n1 ZINC000089466088 ED Annotated Anodyne COc1ccc(Cl)cc1-c1cc(NC(=O)[C@H]2CNC(=O)N2)[nH]n1 ZINC000089466091 ED Annotated Anodyne Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)N(C)c3nccs3)C2)o1 ZINC000089702275 ED Annotated Anodyne Cc1cnc(CN(C)[C@H]2CCN(CC(=O)N(C)c3nccs3)C2)o1 ZINC000089702276 ED Annotated Anodyne CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC000089755653 ED Annotated Anodyne CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC000089755655 ED Annotated Anodyne NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Br)nn1 ZINC000089809472 ED Annotated Anodyne COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC(=O)N1CCOCC1 ZINC000009086562 ED Annotated Bother COc1c2c(cc3c1OCO3)[C@@]13C=C[C@@H](OC)C[C@H]1N(C2)C[C@@H]3O ZINC000009147093 ED Annotated Anodyne Cc1nc2ccccn2c1CN1C[C@@H](CN2CCOCC2)[C@@H](CO)C1 ZINC000091412413 ED Annotated Anodyne Cc1cccc(CN2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)n1 ZINC000091503672 ED Annotated Anodyne CCc1c(C)nc(C)nc1N1C[C@H](CO)[C@H](CN(C)CCN(C)C)C1 ZINC000091596072 ED Annotated Anodyne Cc1cnc(C)c(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1 ZINC000091616679 ED Annotated Anodyne Cc1nc(C)c(C)c(N2C[C@H](CO)[C@H](CN3CCCN(C)CC3)C2)n1 ZINC000091657136 ED Annotated Anodyne Cc1ccc(C(=O)O)cc1CNC(=O)CN1CC[C@](C)(O)C(C)(C)C1 ZINC000091676973 ED Annotated Anodyne CS(=O)(=O)N[C@H]1CN(CCOCc2ccccc2)C[C@@H]1C1CC1 ZINC000091934289 ED Annotated Anodyne CCNc1ncc(C(=O)NCc2csc(-c3cnccn3)n2)cn1 ZINC000091964935 ED Annotated Anodyne CC(C)=CCN1C[C@@H]2CN(C(=O)c3cnccc3C)C[C@]2(C(=O)O)C1 ZINC000091987854 ED Annotated Anodyne Cc1cc(C)n2nc(S[C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)nc2n1 ZINC000009544710 ED Annotated Anodyne Cn1cccc1Cc1nnc(SCC(N)=O)n1-c1ccccc1 ZINC000009611062 ED Annotated Anodyne Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ccc2nonc2c1 ZINC000009689443 ED Annotated Anodyne Cc1nn2cnnc2c(C)c1CCC(=O)NCCN1CCCCC1 ZINC000009689461 ED Annotated Anodyne CCc1nc(CN(C)[C@@H]2CCN(Cc3nnc(C4CCC4)o3)C2)no1 ZINC000095402332 ED Annotated Anodyne CCc1nc(CN(C)[C@H]2CCN(Cc3nnc(C4CCC4)o3)C2)no1 ZINC000095402333 ED Annotated Anodyne C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)CCNS(C)(=O)=O ZINC000095442911 ED Annotated Anodyne C=C1C(=O)O[C@@H]2CC/C(C=O)=C\C=C/[C@H](COC=O)[C@H](OC(C)=O)[C@@H]12 ZINC000095486288 ED Annotated Reactive in-vitro biogenic C=C1C(=O)O[C@@H]2CC/C(C=O)=C\C=C/[C@@H](COC=O)[C@H](OC(C)=O)[C@@H]12 ZINC000095486289 ED Annotated Reactive in-vitro biogenic CCc1c(C)nn(C)c1NC(=O)N1CCCO[C@H](Cn2cccn2)C1 ZINC000095531752 ED Annotated Anodyne CCc1c(C)nn(C)c1NC(=O)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000095531753 ED Annotated Anodyne O=C(O)C1=C/C(=C\C=N/CCc2ccc(O)c(O)c2)C[C@@H](C(=O)O)N1 ZINC000095536657 ED Annotated Mild C[C@@](CCc1cc(-c2ccccc2)no1)(C(=O)NO)S(C)(=O)=O ZINC000095552192 ED Annotated Bother C[C@@](CCn1cc(-c2ccccc2)cn1)(C(=O)NO)S(C)(=O)=O ZINC000095552448 ED Annotated Bother Cn1cc(-c2cnc3nnn(Cc4ccc5c(c4)OCCO5)c3n2)cn1 ZINC000095552712 ED Annotated Anodyne CCCCCCCCSC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1 ZINC000095553118 ED Annotated Mild CCN(CC)CC(=O)NCc1cn(-c2ccccc2[N+](=O)[O-])nn1 ZINC000095553865 ED Annotated Bother Cc1ncsc1[C@@H](CO[N+](=O)[O-])n1cc(-c2cccnc2)nn1 ZINC000095554162 ED Annotated Anodyne Cc1ncsc1[C@H](CO[N+](=O)[O-])n1cc(-c2cccnc2)nn1 ZINC000095554163 ED Annotated Anodyne Cn1cc(-c2cnc3nnn(Cc4ccc5c(c4)CCO5)c3n2)cn1 ZINC000095554249 ED Annotated Anodyne Cc1ncsc1[C@@H](CO[N+](=O)[O-])n1nncc1-c1cccnc1 ZINC000095554475 ED Annotated Anodyne Cc1ncsc1[C@H](CO[N+](=O)[O-])n1nncc1-c1cccnc1 ZINC000095554476 ED Annotated Anodyne NCCC[C@](N)(C(=O)OCc1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000095554625 ED Annotated Bother NCCC[C@@](N)(C(=O)OCc1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000095554626 ED Annotated Bother CC(=O)Nc1cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)nc(C)n1 ZINC000095554964 ED Annotated Anodyne C[C@@](CCc1cnn(-c2ccccc2)c1)(C(=O)NO)S(C)(=O)=O ZINC000095555360 ED Annotated Bother C[C@](CCc1cnn(-c2ccccc2)c1)(C(=O)NO)S(C)(=O)=O ZINC000095555361 ED Annotated Bother CN(C)C(=O)c1ncc(C(=O)NCc2ccc(F)cc2)c(O)c1O ZINC000095555461 ED Annotated Anodyne COc1ccc(-c2cc(CNC(=O)[C@H](CS)NC(C)=O)on2)cc1 ZINC000095556866 ED Annotated Mild N[C@@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1 ZINC000095557010 ED Annotated Anodyne O[C@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1 ZINC000095557240 ED Annotated Anodyne O[C@@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1 ZINC000095557241 ED Annotated Anodyne CC12CCC3(CCC(=O)N4CCOCC4)[C@](C)(OO[C@@]3(C)O1)O2 ZINC000095557405 ED Annotated Reactive Cn1c2c(c(CO)c1-c1ccccc1)C(=O)/C(=N/CCO)C=C2O ZINC000095558107 ED Annotated Mild Cn1nnnc1SCC(=O)N/N=C/c1ccc(Cl)cc1Cl ZINC000095558577 ED Annotated Reactive CO[C@H]1C=C[C@@]23c4cc5c(cc4CN(C)[C@@H]2C(=O)N(C)[C@H]3C1)OCO5 ZINC000095559757 ED Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(C)=O)C=C[C@H]1n1ccc2ccccc21 ZINC000095560157 ED Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc(CO)nn3)[C@@H]2CC1 ZINC000095560237 ED Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(C)=O)C=C[C@H]1N1CCc2ccccc21 ZINC000095561516 ED Annotated Anodyne CC[C@@H]1CC(=O)[C@@H]2[C@@H](O)C(C)=CC[C@H]2[C@]1(C)C(=O)C1=C(O)NCC1=O ZINC000095562350 ED Annotated Mild Cn1nnnc1SCC(=O)N/N=C/c1cccc(Cl)c1Cl ZINC000095562557 ED Annotated Reactive CC(C)(NC(=O)OCc1ccccc1)c1nc(O)c2oc(=O)[nH]c2n1 ZINC000095562892 ED Annotated Anodyne CCN(CC)S(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1 ZINC000095562936 ED Annotated Anodyne Cn1nnnc1SCC(=O)N/N=C/c1c(Cl)cccc1Cl ZINC000095563098 ED Annotated Reactive CS(=O)(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccn1 ZINC000095563267 ED Annotated Anodyne CS(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccn1 ZINC000095563268 ED Annotated Anodyne C[C@H]1C[C@@H](C)C(=O)C2=C3O[C@@H]4[C@H](C)C[C@@]3(OC2=O)[C@H](/C=C/C1=O)[C@H]4O ZINC000095563677 ED Annotated Mild Cn1nnnc1SCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 ZINC000095564161 ED Annotated Reactive COc1cc([C@H]2SCC(=O)N2NC(=O)c2ccncc2)ccc1O ZINC000095564483 ED Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2NC(=O)c2ccncc2)ccc1O ZINC000095564484 ED Annotated Anodyne CN1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2F)N(C)C1=O ZINC000095565087 ED Annotated Anodyne COCCN1C(=O)COc2ccccc2[C@H]1C(=O)NC1CCCC1 ZINC000095566396 ED Annotated Anodyne COCCN1C(=O)COc2ccccc2[C@@H]1C(=O)NC1CCCC1 ZINC000095566397 ED Annotated Anodyne CC(C)C[C@@H]1COc2cc(N(C)CCO)ccc2S(=O)(=O)N1 ZINC000095566469 ED Annotated Anodyne O=C1NC[C@H](Cc2ccc(O)cc2)N(CCc2cccc(F)c2)C1=O ZINC000095569926 ED Annotated Anodyne O=C1NC(=O)C(O)(CC(=O)c2ccc(-c3ccsc3)cc2)C(=O)N1 ZINC000095571913 ED Annotated Anodyne c1ncc(-c2cc(CCN3CCOCC3)no2)cc1OC[C@@H]1CCN1 ZINC000095572797 ED Annotated Anodyne Cc1cc(-c2ccncc2)nnc1N1CCN(c2ncccn2)CC1 ZINC000095573154 ED Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(Cl)ccc21 ZINC000095573424 ED Annotated Anodyne CCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1 ZINC000095573914 ED Annotated Anodyne N#Cc1ccc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)cc1 ZINC000095573978 ED Annotated Mild CC(=O)N[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O ZINC000095574858 ED Annotated Anodyne Cc1cc(-c2cncnc2)nnc1N1CCN(c2ncccn2)CC1 ZINC000095575538 ED Annotated Anodyne CC(C)N(C(=O)OC(C)(C)C)/[N+]([O-])=N/OCCS(C)(=O)=O ZINC000095575818 ED Annotated Reactive CCN1CCN(Cc2cc(=O)c3c(OC)cc(OC)cc3o2)CC1 ZINC000095578280 ED Annotated Anodyne CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)CCl)C2 ZINC000095578459 ED Annotated Reactive CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)N(C)C)C2 ZINC000095579570 ED Annotated Anodyne COc1cc(OC)c2c(=O)cc(CN3CCN(C(C)=O)CC3)oc2c1 ZINC000095580514 ED Annotated Anodyne CC(C)NC1=NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2S1 ZINC000095581292 ED Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2)N1 ZINC000095582875 ED Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2)N1 ZINC000095582876 ED Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2)N1 ZINC000095582877 ED Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2)N1 ZINC000095582878 ED Annotated Anodyne C[C@H](O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095582881 ED Annotated Anodyne C[C@@H](O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095582882 ED Annotated Anodyne NCc1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095583176 ED Annotated Anodyne N/C(=N\O)Nc1ccc(CCc2ccc(N/C(N)=N/O)cc2)cc1 ZINC000095583815 ED Annotated Mild CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3ccccc3)ccc21 ZINC000095584466 ED Annotated Anodyne O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(CO)nc4)ccc3N12 ZINC000095584483 ED Annotated Anodyne O=C(O)c1cc(NCCCO)nc2c1cnn2Cc1ccncc1 ZINC000095585190 ED Annotated Anodyne CC(C)(C)CCN1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1 ZINC000095586744 ED Annotated Mild CC(C)(C)NC(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1 ZINC000095587250 ED Annotated Mild CCOC(=O)C[n+]1c(Br)c(Br)n(C)c1C ZINC000095587348 ED Annotated Mild NC1=Nn2c(CCC(=O)c3nc4ccccc4[nH]3)nnc2SC1 ZINC000095587836 ED Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1 ZINC000095587989 ED Annotated Mild C=C(C)[C@@H]1CC(=O)[C@H]2[C@H](C1)[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)O[C@H]2C(=O)[C@@H]4[C@H]13 ZINC000095588542 ED Annotated Mild CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)cc3)[C@H]2C)cn1 ZINC000095590165 ED Annotated Mild O=C(CCc1nnc2n1N=C(O)CS2)c1nc2ccccc2[nH]1 ZINC000095590242 ED Annotated Anodyne CO[C@H]1C[C@@H]2[C@@H]3[C@@H](OC[C@]3(O)C[C@H]2OC(=O)c2ccc(O)cc2)O1 ZINC000095590333 ED Annotated Anodyne CC(C)(C)C(=O)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1 ZINC000095590640 ED Annotated Mild CCCCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)OC)c1=O ZINC000095591600 ED Annotated Mild CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)OCC)c1=O ZINC000095591712 ED Annotated Anodyne CCCC[C@H]1ON(C(=O)CCC2=CCOC2=O)N=C(C)O[C@H]1O ZINC000095592098 ED Annotated Anodyne N#CCc1nn2c(CCC(=O)c3nc4ccccc4[nH]3)nnc2s1 ZINC000095592915 ED Annotated Mild CC(=O)Nc1cc2c(cc1OC(=O)CO)Oc1ccc(CO)cc1N2 ZINC000095593185 ED Annotated Anodyne CC(=O)c1cccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)c1 ZINC000095593371 ED Annotated Anodyne CC(C)NC[C@H](O)CN1C(=O)N/C(=C\c2ccc(Cl)cc2)C1=O ZINC000095594251 ED Annotated Anodyne CC(C)NC[C@@H](O)CN1C(=O)N/C(=C\c2ccc(Cl)cc2)C1=O ZINC000095594252 ED Annotated Anodyne COC(=O)CC[C@H](NSc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000095594459 ED Annotated Bother C=CCNC(=O)N1C[C@@H]([C@@H](C)OC(=O)COCc2ccccc2)C1=O ZINC000095595062 ED Annotated Mild CCOC(=O)/C(C#N)=C\C=C1C=CN(CC(=O)N2CCOCC2)C=C1 ZINC000095595443 ED Annotated Reactive Cn1c(=O)c2c(cc(C#Cc3cccc(Cl)c3)n2C)n(C)c1=O ZINC000095595465 ED Annotated Mild Cn1c(=O)c2c(cc(C#Cc3ccc(Cl)cc3)n2C)n(C)c1=O ZINC000095595573 ED Annotated Mild C=CCOC(=O)N1C[C@@H]([C@@H](C)OC(=O)COCc2ccccc2)C1=O ZINC000095596918 ED Annotated Mild CC(=O)c1ccc(/C=C/c2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 ZINC000095598078 ED Annotated Anodyne C=CCNC(=O)N1C[C@@H]([C@@H](C)OC(=O)NCCc2ccccc2)C1=O ZINC000095598157 ED Annotated Mild CC(C)n1c(C(CO)CO)nc2c(Nc3ccnnc3)ncnc21 ZINC000095598287 ED Annotated Anodyne COC(=O)C[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095599018 ED Annotated Anodyne CCCCCCN1CCN([C@@H]2CN(CCCC)S(=O)(=O)C2)CC1 ZINC000095599211 ED Annotated Anodyne CCCCCCN1CCN([C@H]2CN(CCCC)S(=O)(=O)C2)CC1 ZINC000095599212 ED Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C)CC1 ZINC000095599263 ED Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C)CC1 ZINC000095599264 ED Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N(C)CCO)c2S(=O)(=O)N1 ZINC000095599634 ED Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095599691 ED Annotated Anodyne CCOC(=O)C[C@@H]1OC[C@H](C)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095599827 ED Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095600030 ED Annotated Anodyne COC(=O)C[C@@H]1OC[C@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095600084 ED Annotated Anodyne CCOC(=O)CN1C(=O)N2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccccc21 ZINC000095600423 ED Annotated Anodyne COC(=O)C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1 ZINC000095600721 ED Annotated Anodyne COCC(=O)NC[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1 ZINC000095600758 ED Annotated Anodyne C[C@H]1CNC(=O)c2c(C(=O)N3CCN(c4ccccc4)CC3)ncn21 ZINC000095600975 ED Annotated Anodyne NC(=O)c1cnn2c1n[n+]([O-])c1ccc(OCc3cccs3)cc12 ZINC000095601073 ED Annotated Anodyne O=C(CNCc1c(F)cccc1F)N1CCC2(CC1)OCCO2 ZINC000095601241 ED Annotated Anodyne CCOC(=O)N1CCN([C@H](C(=O)NC2CCCC2)C(C)C)CC1 ZINC000095602369 ED Annotated Anodyne CCOC(=O)N1CCN([C@@H](C(=O)NC2CCCC2)C(C)C)CC1 ZINC000095602370 ED Annotated Anodyne O=C1c2ccc(N3CCOCC3)cc2-n2c1nc1ncccc1c2=O ZINC000095602899 ED Annotated Anodyne O=C1c2ccc(N3CCOCC3)cc2-n2c1nc1ccncc1c2=O ZINC000095603471 ED Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2cnccc2N)o1 ZINC000095603556 ED Annotated Bother O=C(O)Cc1sc(/C=C2\NC(=O)CS2)nc1-c1ccccn1 ZINC000095604515 ED Annotated Anodyne COC(=O)C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1 ZINC000095604526 ED Annotated Anodyne NC(=O)c1cnn2c1n[n+]([O-])c1ccc(OCc3ccccc3)cc12 ZINC000095604973 ED Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CC3CC3)CC2)CN1C1CCCCC1 ZINC000095605204 ED Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CC3CC3)CC2)CN1C1CCCCC1 ZINC000095605205 ED Annotated Anodyne C[C@@H]1CNC(=O)c2c(C(=O)N3CCN(c4ccccc4)CC3)ncn21 ZINC000095605673 ED Annotated Anodyne C/C(=C\C(=O)O)C[C@@H]1CC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@@H](C)O)[C@@H](O)[C@H]1O ZINC000095618903 ED Annotated Anodyne in-man C/C(=C\C(=O)O)C[C@@H]1CC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@@H](C)O)[C@@H](O)[C@H]1O ZINC000095618904 ED Annotated Anodyne in-man C/C(=C\C(=O)O)C[C@@H]1CC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000095618905 ED Annotated Anodyne in-man C/C(=C\C(=O)O)C[C@@H]1CC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000095618906 ED Annotated Anodyne in-man C[C@H]1[C@H](/N=C/c2ccc(CO)n2[C@H]2C(=O)O[C@H](C)[C@H]2C)C(=O)O[C@@H]1C ZINC000095630241 ED Annotated Mild in-vitro CC[C@@H](C)[C@H](NC(=O)C[C@H]1CCC(=O)[C@H]1C/C=C\CCO)C(=O)O ZINC000095635544 ED Annotated Anodyne in-vitro CC(C)C[C@@H](CC(=O)O)NC(=O)C[C@@H](C)NC(=O)C[C@H](N)C(C)C ZINC000095635564 ED Annotated Anodyne in-vitro CC(C)C[C@H](CC(=O)O)NC(=O)C[C@@H](C)NC(=O)C[C@H](N)C(C)C ZINC000095635565 ED Annotated Anodyne in-vitro CC(C)C[C@@H](CC(=O)O)NC(=O)C[C@H](C)NC(=O)C[C@H](N)C(C)C ZINC000095635566 ED Annotated Anodyne in-vitro CC(C)C[C@H](CC(=O)O)NC(=O)C[C@H](C)NC(=O)C[C@H](N)C(C)C ZINC000095635567 ED Annotated Anodyne in-vitro C[C@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]1CC[C@@H]4C[C@]1(C[C@]41CO1)[C@@H](C(=O)O)[C@@H]32 ZINC000095635831 ED Annotated Anodyne in-vitro CC(C)(C)OC(=O)N1CC(=O)N(CC(=O)O)C[C@@H]1c1ccccc1 ZINC000095642342 ED Annotated Anodyne CC(C)(C)OC(=O)N1CC(=O)N(CC(=O)O)C[C@H]1c1ccccc1 ZINC000095642343 ED Annotated Anodyne O=C(O)C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000095660921 ED Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2C(=O)N(C)C[C@H]1C ZINC000095660956 ED Annotated Clean CC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2C(=O)N(C)C[C@H]1C ZINC000095660974 ED Annotated Clean COc1ccc(C[C@H]2CCn3nncc3COCCCNC2=O)cc1 ZINC000095660977 ED Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@@H]1C ZINC000095660994 ED Annotated Clean CC(C)NC(=O)N(C)C[C@@H]1Oc2ncccc2C(=O)N(C)C[C@@H]1C ZINC000095661054 ED Annotated Anodyne CS(=O)(=O)N1C[C@@H]2C(c3ccccc3)[C@H](C1)N2CC(F)(F)F ZINC000095661071 ED Annotated Anodyne CC(=O)Nc1cccc2c1O[C@@H](CN(C)C(C)=O)[C@H](C)CN(C)C2=O ZINC000095661099 ED Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@@H]1C ZINC000095661101 ED Annotated Clean CS(=O)(=O)N1C[C@H]2N[C@@H](C1)C2c1ccc(Br)cc1 ZINC000095661175 ED Annotated Anodyne O=C1NCCOCn2nncc2CC[C@H]1Cc1cccc(Cl)c1 ZINC000095661243 ED Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@H](C)NC2=O)cc1 ZINC000095661274 ED Annotated Anodyne CC(=O)Nc1cccc2c1O[C@@H](CN(C)C(C)=O)[C@@H](C)CN(C)C2=O ZINC000095661323 ED Annotated Anodyne O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CC1 ZINC000095661371 ED Annotated Anodyne COc1ccc(C[C@@H]2CCn3cc(nn3)COCCNC2=O)cc1 ZINC000095661441 ED Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@H]1C ZINC000095661454 ED Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@@H]1C ZINC000095661492 ED Annotated Anodyne COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@@H](C)NC2=O)cc1 ZINC000095661555 ED Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2c(N)cccc2C(=O)N(C)C[C@H]1C ZINC000095661622 ED Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2c(N)cccc2C(=O)N(C)C[C@H]1C ZINC000095661629 ED Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@H]1C ZINC000095661700 ED Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@@H]1C ZINC000095661729 ED Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@H]1C ZINC000095661763 ED Annotated Anodyne O=C1NCCOCn2nncc2CC[C@@H]1Cc1cccc(Cl)c1 ZINC000095661800 ED Annotated Anodyne CC(=O)Nc1cccc2c1O[C@H](CN(C)C(C)=O)[C@@H](C)CN(C)C2=O ZINC000095661837 ED Annotated Anodyne CC(=O)Nc1cccc2c1O[C@H](CN(C)C(C)=O)[C@H](C)CN(C)C2=O ZINC000095661921 ED Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2ncccc2C(=O)N(C)C[C@H]1C ZINC000095661929 ED Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@H]1C ZINC000095661969 ED Annotated Clean CC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2C(=O)N(C)C[C@@H]1C ZINC000095661999 ED Annotated Clean COc1ccc(C[C@@H]2CCc3cnnn3COC[C@H](C)NC2=O)cc1 ZINC000095662048 ED Annotated Anodyne COc1ccc(C[C@@H]2CCn3nncc3COCCCNC2=O)cc1 ZINC000095662281 ED Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@@H]1C ZINC000095662471 ED Annotated Anodyne COc1ccc(C[C@H]2CCc3cnnn3COCCNC2=O)cc1 ZINC000095662476 ED Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2C(=O)N(C)C[C@@H]1C ZINC000095662550 ED Annotated Clean CNC[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@@H]1C ZINC000095662590 ED Annotated Anodyne COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@H](C)NC2=O)cc1 ZINC000095662660 ED Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@@H](C)NC2=O)cc1 ZINC000095662689 ED Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2ncccc2C(=O)N(C)C[C@H]1C ZINC000095662894 ED Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2ncccc2C(=O)N(C)C[C@@H]1C ZINC000095662944 ED Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COCCCNC2=O)cc1 ZINC000095662964 ED Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@H]1C ZINC000095663224 ED Annotated Clean CNC[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095663314 ED Annotated Clean CC(C)NC(=O)N(C)C[C@@H]1Oc2c(N)cccc2C(=O)N(C)C[C@@H]1C ZINC000095663447 ED Annotated Anodyne COc1ccc(C[C@@H]2CCc3cnnn3COCCNC2=O)cc1 ZINC000095663452 ED Annotated Anodyne O=C1NCCOCn2nncc2CC[C@H]1Cc1ccc(Cl)cc1 ZINC000095663500 ED Annotated Anodyne CCNC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095663565 ED Annotated Anodyne CNC[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095663902 ED Annotated Clean COc1ccc(C[C@H]2CCc3cnnn3COC[C@@H](C)NC2=O)cc1 ZINC000095663931 ED Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COCCNC2=O)cc1 ZINC000095664078 ED Annotated Anodyne CCC(=O)N1CC2(CN[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095664355 ED Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@H]1C ZINC000095664434 ED Annotated Anodyne COc1ccc(C[C@@H]2CCn3cc(nn3)COCCCNC2=O)cc1 ZINC000095665333 ED Annotated Anodyne CC(=O)N[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O ZINC000095665483 ED Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)NC(C)C ZINC000095666964 ED Annotated Anodyne CCS(=O)(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CC1 ZINC000095667396 ED Annotated Anodyne CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccccc2)[C@@H]1CO ZINC000095667507 ED Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2)[C@@H]1CO ZINC000095667513 ED Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2)[C@@H]1CO ZINC000095667519 ED Annotated Mild CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccncc1 ZINC000095667581 ED Annotated Anodyne CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2)[C@H]1CO ZINC000095667620 ED Annotated Mild COCC(=O)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000095667952 ED Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)c1ccncc1 ZINC000095668383 ED Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)C1CC1 ZINC000095668584 ED Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)C1CC1 ZINC000095668651 ED Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095676522 ED Annotated Anodyne CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095676524 ED Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095676526 ED Annotated Anodyne CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095676528 ED Annotated Anodyne CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095676530 ED Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095676532 ED Annotated Anodyne CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095676534 ED Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095676536 ED Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095677854 ED Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095677856 ED Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095677858 ED Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095677860 ED Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095677863 ED Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095677865 ED Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095677867 ED Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095677868 ED Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095678464 ED Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095678465 ED Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095678466 ED Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095678467 ED Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095678468 ED Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095678470 ED Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095678472 ED Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095678473 ED Annotated Anodyne NS(=O)(=O)c1cccc(OC2CC2)c1I ZINC000095719694 ED Annotated Anodyne CN(C)C(=O)c1ccc(OC2CC2)c(I)n1 ZINC000095720325 ED Annotated Anodyne NS(=O)(=O)c1ccc(OC2CC2)cc1I ZINC000095720533 ED Annotated Anodyne CN(C)C(=O)c1cc(OC2CC2)c(I)cn1 ZINC000095720910 ED Annotated Anodyne CN(C)C(=O)c1cnc(I)c(OC2CC2)c1 ZINC000095721300 ED Annotated Anodyne CN(C)C(=O)c1nc(I)ccc1OC1CC1 ZINC000095721404 ED Annotated Anodyne CN(C)C(=O)c1cncc(I)c1OC1CC1 ZINC000095721631 ED Annotated Anodyne CN(C)C(=O)c1ncc(I)cc1OC1CC1 ZINC000095721921 ED Annotated Anodyne CN(C)C(=O)c1cc(OC2CC2)cc(I)n1 ZINC000095722421 ED Annotated Anodyne CN(C)C(=O)c1cncc(OC2CC2)c1I ZINC000095722520 ED Annotated Anodyne CN(C)C(=O)c1nccc(OC2CC2)c1I ZINC000095723451 ED Annotated Anodyne NS(=O)(=O)c1cccc(I)c1OC1CC1 ZINC000095724196 ED Annotated Anodyne CN(C)C(=O)c1nccc(I)c1OC1CC1 ZINC000095724326 ED Annotated Anodyne CN(C)C(=O)c1cc(OC2CC2)cnc1I ZINC000095724393 ED Annotated Anodyne NS(=O)(=O)c1c(I)cccc1OC1CC1 ZINC000095724399 ED Annotated Anodyne CN(C)C(=O)c1cc(I)c(OC2CC2)cn1 ZINC000095724507 ED Annotated Anodyne CN(C)C(=O)c1cnc(I)cc1OC1CC1 ZINC000095725112 ED Annotated Anodyne CN(C)C(=O)c1ncc(OC2CC2)cc1I ZINC000095725140 ED Annotated Anodyne CN(C)C(=O)c1ccnc(I)c1OC1CC1 ZINC000095725330 ED Annotated Anodyne CN(C)C(=O)c1cc(I)ncc1OC1CC1 ZINC000095726269 ED Annotated Anodyne CN(C)C(=O)c1c(I)cncc1OC1CC1 ZINC000095727022 ED Annotated Anodyne CN(C)C(=O)c1c(OC2CC2)ccnc1I ZINC000095727826 ED Annotated Anodyne NS(=O)(=O)c1ccc(I)cc1OC1CC1 ZINC000095734509 ED Annotated Anodyne NS(=O)(=O)c1cc(I)cc(OC2CC2)c1 ZINC000095734564 ED Annotated Anodyne NS(=O)(=O)c1cc(I)ccc1OC1CC1 ZINC000095734577 ED Annotated Anodyne NS(=O)(=O)c1cc(OC2CC2)ccc1I ZINC000095734606 ED Annotated Anodyne Cc1cncc2cccc(S(=O)(=O)N[C@H]3CN[C@H](CN=[N+]=[N-])C3)c12 ZINC000095755424 ED Annotated Clean Cc1cncc2cccc(S(=O)(=O)N[C@H]3CN[C@@H](CN=[N+]=[N-])C3)c12 ZINC000095755428 ED Annotated Clean N=C1NC(=O)/C(=C\c2ccc(-c3ccc(C(N)=O)cc3O)o2)S1 ZINC000095755623 ED Annotated Anodyne COC(=O)[C@H](CSc1cc(O)ccc1NC(C)=O)NC(C)=O ZINC000095756130 ED Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CC(=O)O)C(=O)[C@@H]1c1ccccc1 ZINC000095757887 ED Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CC(=O)O)C(=O)[C@H]1c1ccccc1 ZINC000095757889 ED Annotated Anodyne CC(C)[C@@H](C)[C@@H]1CN(CC(=O)O)C(=O)CN1C(=O)OC(C)(C)C ZINC000095757925 ED Annotated Anodyne CC(C)[C@H](C)[C@@H]1CN(CC(=O)O)C(=O)CN1C(=O)OC(C)(C)C ZINC000095757927 ED Annotated Anodyne CC(C)[C@@H](C)[C@H]1CN(CC(=O)O)C(=O)CN1C(=O)OC(C)(C)C ZINC000095757929 ED Annotated Anodyne CC(C)[C@H](C)[C@H]1CN(CC(=O)O)C(=O)CN1C(=O)OC(C)(C)C ZINC000095757931 ED Annotated Anodyne CC(C)(C)OC(=O)N1CC(=O)N(CC(=O)O)C[C@@H]1Cc1ccccc1 ZINC000095757945 ED Annotated Anodyne CC(C)(C)OC(=O)N1CC(=O)N(CC(=O)O)C[C@H]1Cc1ccccc1 ZINC000095757946 ED Annotated Anodyne COC(=O)c1cc(CCNC(=O)OC(C)(C)C)nc(C(=O)OC)c1 ZINC000095767727 ED Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](C3CC3)C[C@H](OCCCCO)O2)CC1 ZINC000095783819 ED Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](C3CC3)C[C@@H](OCCCCO)O2)CC1 ZINC000095784312 ED Annotated Anodyne CNC(=O)C1=C[C@@H](c2ccc(OC)cc2)C[C@@H](OCCCCO)O1 ZINC000095784614 ED Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095794126 ED Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095794127 ED Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095794129 ED Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)CC)C2 ZINC000095794144 ED Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)CC)C2 ZINC000095794204 ED Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CC)C2 ZINC000095794206 ED Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CC)C2 ZINC000095794207 ED Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095794371 ED Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095794373 ED Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095794375 ED Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095794665 ED Annotated Anodyne CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095794824 ED Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1 ZINC000095794924 ED Annotated Mild O=C1CNC[C@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095794928 ED Annotated Anodyne O=C1CNC[C@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095794929 ED Annotated Anodyne O=C1CNC[C@@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095794930 ED Annotated Anodyne O=C1CNC[C@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095794931 ED Annotated Anodyne O=C1CNC[C@@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095794932 ED Annotated Anodyne O=C1CNC[C@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095794933 ED Annotated Anodyne O=C1CNC[C@@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095794934 ED Annotated Anodyne N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1 ZINC000095795007 ED Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CNCC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095795009 ED Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1 ZINC000095795047 ED Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CNC[C@H]34)cc2)cc1 ZINC000095795048 ED Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1 ZINC000095795049 ED Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H]4CNCC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095795050 ED Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CNC[C@H]34)cc2)cc1 ZINC000095795051 ED Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](C#N)N[C@H]3CO)cc2)cc1 ZINC000095795571 ED Annotated Mild CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)NC(C)C ZINC000095796487 ED Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)NC(C)C ZINC000095796707 ED Annotated Anodyne CCN1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797040 ED Annotated Anodyne CCN1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797041 ED Annotated Anodyne O=C1CNC[C@H]2[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H](CO)N12 ZINC000095797050 ED Annotated Mild O=C1CNC[C@H]2[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H](CO)N12 ZINC000095797051 ED Annotated Mild O=C1CNC[C@@H]2[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H](CO)N12 ZINC000095797052 ED Annotated Mild O=C1CNC[C@H]2[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H](CO)N12 ZINC000095797053 ED Annotated Mild O=C1CNC[C@@H]2[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H](CO)N12 ZINC000095797054 ED Annotated Mild O=C1CNC[C@H]2[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H](CO)N12 ZINC000095797055 ED Annotated Mild CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095797060 ED Annotated Anodyne CCN1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797074 ED Annotated Anodyne CCN1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797075 ED Annotated Anodyne CCN1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095797076 ED Annotated Anodyne CCN1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095797077 ED Annotated Anodyne CCN1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797078 ED Annotated Anodyne CCN1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797079 ED Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CNC[C@H]34)cc2)c1 ZINC000095797199 ED Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CNC[C@@H]34)cc2)c1 ZINC000095797200 ED Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CNCC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797201 ED Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CNCC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797202 ED Annotated Anodyne CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095797211 ED Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1 ZINC000095797825 ED Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CNC[C@H]34)cc2)cc1 ZINC000095797826 ED Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1 ZINC000095797834 ED Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1 ZINC000095797835 ED Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CNCC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797836 ED Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CNCC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797837 ED Annotated Anodyne O=C(NO)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000095808384 ED Annotated Reactive O=C(O)CCCCCCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1 ZINC000095808424 ED Annotated Reactive CC1(C)COC(CCC/C=N/NC(=O)CCCCC(=O)NO)OC1 ZINC000095808561 ED Annotated Reactive O=C(NO)c1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c1 ZINC000095808801 ED Annotated Reactive Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)O)c1O ZINC000095809342 ED Annotated Reactive CNC[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095838426 ED Annotated Clean CNC[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095850275 ED Annotated Clean CNC[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095850393 ED Annotated Clean CNC[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095852277 ED Annotated Clean CNC[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095853467 ED Annotated Clean CNC[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095862091 ED Annotated Clean CCC(=O)N1CC2(CN[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095864619 ED Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(CC2CC2)C1 ZINC000095865532 ED Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(CC2CC2)C1 ZINC000095865588 ED Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 ZINC000095865631 ED Annotated Anodyne CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095866534 ED Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1 ZINC000095866947 ED Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CNC[C@H]34)cc2)cc1 ZINC000095866948 ED Annotated Anodyne CCOC(=O)OC[C@@H]1[C@@H]2NC(=O)N(C)[C@@]1(CO)Oc1ccccc12 ZINC000095868008 ED Annotated Anodyne CCN1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095871321 ED Annotated Anodyne CCN1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095871322 ED Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1 ZINC000095871495 ED Annotated Mild CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095871496 ED Annotated Mild CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1 ZINC000095871497 ED Annotated Mild CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095871519 ED Annotated Mild CC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC(C)C)cc1)[C@@H]2CO ZINC000095871520 ED Annotated Mild CC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095871521 ED Annotated Mild CC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC(C)C)cc1)[C@@H]2CO ZINC000095871522 ED Annotated Mild CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095871523 ED Annotated Mild CCCNC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095871725 ED Annotated Clean CCCNC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@H](CO)O1 ZINC000095871778 ED Annotated Clean CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)NC(C)C ZINC000095871869 ED Annotated Anodyne CCC(=O)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1 ZINC000095872018 ED Annotated Anodyne CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095872072 ED Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095872074 ED Annotated Anodyne OC[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]2CNCCCCN12 ZINC000095877301 ED Annotated Anodyne OC[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]2CNCCCCN12 ZINC000095877302 ED Annotated Anodyne OC[C@H]1[C@@H](c2ccc(Br)cc2)[C@H]2CNCCCCN21 ZINC000095877303 ED Annotated Anodyne OC[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]2CNCCCCN12 ZINC000095877304 ED Annotated Anodyne COC(=O)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095878992 ED Annotated Anodyne COC(=O)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095878993 ED Annotated Anodyne O=C1CC=C2[C@@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@H]25)C/C3=C\CO ZINC000095884364 ED Annotated Anodyne O=C1CC=C2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N1[C@H]25)C/C3=C\CO ZINC000095884366 ED Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12CC=C[C@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000095884409 ED Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](CO)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000095884410 ED Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12CC=C[C@](CO)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000095884411 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)[C@H](C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 ZINC000095884412 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@H](C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]12 ZINC000095884413 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)[C@@H](C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12 ZINC000095884418 ED Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@@H](O)[C@@H](C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12 ZINC000095884419 ED Annotated Mild CCCNC(=O)N1[C@@H]2CN(C(=O)C3CC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893551 ED Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CC3)C[C@@H]21 ZINC000095893552 ED Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095893738 ED Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095893739 ED Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095893740 ED Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095893741 ED Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)NC(C)C)C[C@H]21 ZINC000095893973 ED Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)NC(C)C)C[C@@H]21 ZINC000095894001 ED Annotated Anodyne CCC(=O)N1[C@@H]2CN(C(=O)NC(C)C)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894034 ED Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)NC(C)C)C[C@@H]21 ZINC000095894036 ED Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CC3)C[C@@H]21 ZINC000095894095 ED Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(C(=O)C3CC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894096 ED Annotated Anodyne CCCNC(=O)N1[C@@H]2CN(C(=O)CC)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894097 ED Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)CC)C[C@@H]21 ZINC000095894098 ED Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894544 ED Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894545 ED Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894546 ED Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894547 ED Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 ZINC000095894766 ED Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@@H]2CNc3ccccc3[C@@H]2[C@@H]1CO ZINC000095894767 ED Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21 ZINC000095894768 ED Annotated Anodyne COCC(=O)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1 ZINC000095894878 ED Annotated Anodyne COCC(=O)NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1 ZINC000095894879 ED Annotated Anodyne CS(=O)(=O)N(CC1CCC1)C[C@@H]1N[C@@H](CO)[C@@H]1c1ccccc1 ZINC000095894902 ED Annotated Anodyne CS(=O)(=O)N(CC1CCC1)C[C@H]1N[C@H](CO)[C@H]1c1ccccc1 ZINC000095894903 ED Annotated Anodyne CS(=O)(=O)N(CC1CCC1)C[C@H]1N[C@@H](CO)[C@H]1c1ccccc1 ZINC000095894904 ED Annotated Anodyne CS(=O)(=O)N(CC1CCC1)C[C@@H]1N[C@H](CO)[C@@H]1c1ccccc1 ZINC000095894905 ED Annotated Anodyne CC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095895277 ED Annotated Anodyne CC(=O)N(C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095895278 ED Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)NC(C)C ZINC000095895392 ED Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC(C)C ZINC000095895393 ED Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC(C)C ZINC000095895394 ED Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)NC(C)C ZINC000095895395 ED Annotated Anodyne CC(=O)N1[C@H](CN(C)C(=O)C2CCC2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895427 ED Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095895428 ED Annotated Anodyne COCC(=O)NC[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1 ZINC000095895627 ED Annotated Anodyne COCC(=O)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1 ZINC000095895628 ED Annotated Anodyne COCC(=O)NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1 ZINC000095895629 ED Annotated Anodyne CC(C)CN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccccc1)C(=O)CN(C)C ZINC000095895692 ED Annotated Anodyne CC(C)CN(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)CN(C)C ZINC000095895693 ED Annotated Anodyne CC(C)CN(C[C@H]1N[C@H](CO)[C@H]1c1ccccc1)C(=O)CN(C)C ZINC000095895694 ED Annotated Anodyne CC(C)CN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccccc1)C(=O)CN(C)C ZINC000095895695 ED Annotated Anodyne CCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095895842 ED Annotated Anodyne CCC(=O)NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095895843 ED Annotated Anodyne CCC(=O)NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095895844 ED Annotated Anodyne CCC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095895845 ED Annotated Anodyne CCC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095895846 ED Annotated Anodyne CCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095895847 ED Annotated Anodyne CCC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095895848 ED Annotated Anodyne CCC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095895849 ED Annotated Anodyne CCNC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095895935 ED Annotated Anodyne CCNC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccccn1 ZINC000095895936 ED Annotated Anodyne CCNC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095895937 ED Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)c1ccncc1 ZINC000095895938 ED Annotated Anodyne CCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccccc1)C(=O)c1ccncc1 ZINC000095895939 ED Annotated Anodyne CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccccc1)C(=O)c1ccncc1 ZINC000095895940 ED Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccccc1)C(=O)c1ccncc1 ZINC000095895941 ED Annotated Anodyne CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccccc1)C(=O)c1ccncc1 ZINC000095895942 ED Annotated Anodyne CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccccc1)C(=O)c1ccncc1 ZINC000095895943 ED Annotated Anodyne CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2C#N)cc1 ZINC000095896231 ED Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3cncnc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095896250 ED Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1CO ZINC000095897460 ED Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1C#N ZINC000095897461 ED Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CC3CC3)cc2)[C@@H]1CO ZINC000095897462 ED Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CC3)cc2)[C@H]1CO ZINC000095897463 ED Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1CO ZINC000095897464 ED Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CC3)cc2)[C@H]1CO ZINC000095897465 ED Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897579 ED Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897580 ED Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897581 ED Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897582 ED Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897583 ED Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897584 ED Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897585 ED Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897586 ED Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)cc1 ZINC000095897702 ED Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)cc1 ZINC000095897703 ED Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)cc1 ZINC000095897704 ED Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)cc1 ZINC000095897705 ED Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@@H]2CO)cc1 ZINC000095897706 ED Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)CN(C)C)[C@H]2C#N)cc1 ZINC000095897707 ED Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@@H]2CO)cc1 ZINC000095897708 ED Annotated Mild CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC(C)C)cc2)[C@@H]1C#N ZINC000095897797 ED Annotated Mild CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC(C)C)cc2)[C@@H]1CO ZINC000095897798 ED Annotated Mild CCS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC(C)C)cc2)[C@@H]1CO ZINC000095897799 ED Annotated Mild CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC(C)C)cc2)[C@H]1CO ZINC000095897800 ED Annotated Mild CCS(=O)(=O)N1[C@H](CO)[C@H](c2ccc(C#CC(C)C)cc2)[C@@H]1C#N ZINC000095897801 ED Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1CO ZINC000095897849 ED Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1C#N ZINC000095897850 ED Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CC3CC3)cc2)[C@@H]1CO ZINC000095897851 ED Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1CO ZINC000095897852 ED Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CC3)cc2)[C@H]1CO ZINC000095897853 ED Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccc(C#CC3CC3)cc2)[C@@H]1C#N ZINC000095897854 ED Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095898102 ED Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095898103 ED Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095898104 ED Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095898105 ED Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095898106 ED Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095898107 ED Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095898108 ED Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(F)cc1 ZINC000095898109 ED Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](C#N)N(S(C)(=O)=O)[C@H]2CO)cc1 ZINC000095898147 ED Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](C#N)N(S(C)(=O)=O)[C@H]2CO)cc1 ZINC000095898148 ED Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@H]2CO)cc1 ZINC000095898149 ED Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2C#N)cc1 ZINC000095898150 ED Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@H]2CO)cc1 ZINC000095898151 ED Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@@H]2CO)cc1 ZINC000095898152 ED Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@@H]2CO)cc1 ZINC000095898153 ED Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2C#N)cc1 ZINC000095898154 ED Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095898169 ED Annotated Mild COCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1C#N ZINC000095898170 ED Annotated Mild COCC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095898171 ED Annotated Mild COCC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095898172 ED Annotated Mild COCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1C#N ZINC000095898173 ED Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N[C@@H]3CO)cc2)cc1 ZINC000095898193 ED Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccc2c(c1)OCO2 ZINC000095898207 ED Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccc2c(c1)OCO2 ZINC000095898208 ED Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccc2c(c1)OCO2 ZINC000095898209 ED Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccc2c(c1)OCO2 ZINC000095898210 ED Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccc2c(c1)OCO2 ZINC000095898211 ED Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccc2c(c1)OCO2 ZINC000095898212 ED Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccc2c(c1)OCO2 ZINC000095898213 ED Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccc2c(c1)OCO2 ZINC000095898214 ED Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095898250 ED Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095898251 ED Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095898252 ED Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095898253 ED Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095898254 ED Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095898255 ED Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095898256 ED Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095898257 ED Annotated Mild CCCNC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900368 ED Annotated Clean CCCNC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900369 ED Annotated Clean CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900370 ED Annotated Clean CCCNC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900371 ED Annotated Clean CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900577 ED Annotated Clean CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903516 ED Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903517 ED Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903518 ED Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903519 ED Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903520 ED Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903521 ED Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903522 ED Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903524 ED Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095904272 ED Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095904273 ED Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095904274 ED Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095904275 ED Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095904276 ED Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095904278 ED Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095904280 ED Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095904281 ED Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095907228 ED Annotated Anodyne CC(=O)N[C@H]1CC[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095907229 ED Annotated Anodyne CC(=O)N[C@@H]1CC[C@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095907230 ED Annotated Anodyne CC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095907231 ED Annotated Anodyne CC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095907232 ED Annotated Anodyne CC(=O)N[C@@H]1CC[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095907233 ED Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095907234 ED Annotated Anodyne CC(=O)N[C@H]1CC[C@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095907235 ED Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095907288 ED Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095907289 ED Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095907290 ED Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095907291 ED Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095907292 ED Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095907293 ED Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095907294 ED Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095907295 ED Annotated Anodyne O=C(O)C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1 ZINC000095907502 ED Annotated Anodyne O=C(O)C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000095907503 ED Annotated Anodyne O=C(O)C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1 ZINC000095907504 ED Annotated Anodyne O=C(O)C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000095907505 ED Annotated Anodyne O=C(O)C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1 ZINC000095907506 ED Annotated Anodyne O=C(O)C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1 ZINC000095907507 ED Annotated Anodyne O=C(O)C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000095907508 ED Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095907525 ED Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095907526 ED Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095907527 ED Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095907528 ED Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095907529 ED Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095907530 ED Annotated Anodyne O=C(O)C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1 ZINC000095907726 ED Annotated Anodyne O=C(O)C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000095907727 ED Annotated Anodyne O=C(O)C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1 ZINC000095907728 ED Annotated Anodyne O=C(O)C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000095907729 ED Annotated Anodyne O=C(O)C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1 ZINC000095907730 ED Annotated Anodyne O=C(O)C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000095907731 ED Annotated Anodyne O=C(O)C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1 ZINC000095907732 ED Annotated Anodyne O=C(O)C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000095907733 ED Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095908010 ED Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095908011 ED Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095908012 ED Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095908013 ED Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095908014 ED Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095908015 ED Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095908016 ED Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095908017 ED Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095908205 ED Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095908206 ED Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095908207 ED Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095908208 ED Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095908209 ED Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095908210 ED Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCC2CCCCC2)O[C@H]1CO ZINC000095908211 ED Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095908212 ED Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4CN(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000095909268 ED Annotated Anodyne in-vitro biogenic CO[C@@H]1C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O ZINC000095909440 ED Annotated Mild in-vitro biogenic COC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=C[C@@H]1O ZINC000095909441 ED Annotated Anodyne in-vitro biogenic CO[C@@H]1N=C(CCCCCCCCC(=O)CCCCO)[C@H](O)[C@H]1O ZINC000095909873 ED Annotated Anodyne in-vitro biogenic CO[C@H]1N[C@H](CC/C=C/CCCCC(=O)CCCCO)[C@@H](O)[C@H]1O ZINC000095909874 ED Annotated Anodyne in-vitro biogenic CC1=CC(=O)C[C@H]2[C@@H]1CC[C@@H](C)[C@]21C[C@@H](C2=C[C@H](O)OC2=O)OC1=O ZINC000095909980 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CC[C@@](O)(OC1)C(C)(C)[C@H]2C[C@H]3O ZINC000095910149 ED Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@@H]3[C@]4(CC[C@@H]5[C@@]36CC(=O)C[C@@]5(C)CN(C)[C@@H]6[C@H]4C2=O)[C@@H]1O ZINC000095910383 ED Annotated Mild in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21 ZINC000095910422 ED Annotated Reactive in-vitro biogenic CC1=CC(=O)[C@@]2(C)[C@@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](CC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000095910582 ED Annotated Mild in-vitro biogenic C[C@H]1C[C@@H]([C@@H]2CC[C@]34O[C@H](CC[C@@]35C[C@@H](C)C(=O)O5)CN24)OC1=O ZINC000095912492 ED Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)OC[C@]32C(=O)C=CC(C)(C)[C@H]2CO)[C@@H]1O ZINC000095912756 ED Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@]4(C)C=CC(=O)C(C)(C)[C@H]4C[C@@H](O)[C@@]3([C@H]1O)[C@@H]2O ZINC000095912825 ED Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H]3O[C@@H]4O[C@H]5CCC(C)(C)[C@H]6[C@H](O)C(=O)[C@@](C2)([C@@H]3[C@@]546)[C@@H]1O ZINC000095913451 ED Annotated Mild in-vitro biogenic CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC)O[C@H]2CN(C)[C@H]3C1)OCO5 ZINC000095913691 ED Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1[C@@H](O)[C@](C)(O)CC[C@]1(O)[C@](C)(O)CCC=C(C)C ZINC000095914242 ED Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1[C@@H](O)[C@@](O)([C@](C)(O)CCC=C(C)C)CC[C@@]1(C)O ZINC000095914243 ED Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@]4(C)C[C@H](O)CC(C)(C)[C@H]4[C@H](O)C[C@@]3([C@@H]1O)[C@@H]2O ZINC000095914605 ED Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@](CC[C@@H]4[C@@](C)(CO)C[C@@H](O)C[C@]43C)([C@H]1O)[C@@H]2O ZINC000095914606 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O ZINC000095914735 ED Annotated Mild in-vitro biogenic COc1ccc2c(c1O)[C@]13CCC(=O)[C@]4(O)O[C@H]2C[C@@]41N(C)CC3 ZINC000095918754 ED Annotated Anodyne in-vitro biogenic COc1ccc2c(c1OC)[C@@]13CCN(C)[C@@]14C[C@@H]2OC(=O)[C@@]4(N)CC3 ZINC000095918755 ED Annotated Anodyne in-vitro biogenic CC1=CC[C@@H](O)[C@]2(C)CC[C@H]3[C@H](CS(=O)(=O)O)C(=O)O[C@@H]3[C@@H]12 ZINC000095918825 ED Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)[C@@]23CC[C@H]4[C@]5(OC(=O)[C@]4(C)CC[C@@H]5O)[C@@]2(C)CC[C@]1(O)C3 ZINC000095919180 ED Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)[C@@]23C[C@@H](O)[C@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@@]2(C)CC[C@]1(O)C3 ZINC000095919181 ED Annotated Anodyne in-vitro biogenic C[C@]12CC[C@@H]3C[C@@]1(CC[C@H]1[C@@]24CCC[C@@]1(C)C(=O)O4)C(=O)[C@]3(O)CO ZINC000095919182 ED Annotated Anodyne in-vitro biogenic COc1c2c(cc3c1OCO3)[C@]13CCN(C2)[C@H]1C[C@H](OC)[C@H]1O[C@H]13 ZINC000095919311 ED Annotated Anodyne in-vitro biogenic C=C1[C@H]2C[C@]3([C@@H]([C@@H]4O[C@@H]42)[C@]24CCCC(C)(C)[C@H]2[C@H](O)[C@@]3(O)OC4)[C@@H]1O ZINC000095919400 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@@H]3CC[C@@H]14 ZINC000095919433 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C(=O)[C@@H]3O ZINC000095919445 ED Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C(=O)[C@H]3O ZINC000095919446 ED Annotated Mild in-vitro biogenic C=C1CS[C@H]([C@@H](C=O)NC(=O)Cc2ccccc2)N=C1C(=O)O ZINC000095920612 ED Annotated Mild O=C(O)CO/N=C1\C2=CC=CCC2=N\C1=C1/C(=O)N=C2CC=CC=C21 ZINC000095920659 ED Annotated Mild in-vivo N#Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1 ZINC000095920717 ED Annotated Mild NCCCNc1cc(NCc2cccnc2)c(C(N)=O)cc1[N+](=O)[O-] ZINC000095920784 ED Annotated Bother NC(=O)c1cc([N+](=O)[O-])c(NCCCO)cc1NCc1cccnc1 ZINC000095920786 ED Annotated Bother O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccccc1C(F)(F)F ZINC000095920812 ED Annotated Anodyne CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C ZINC000095921254 ED Annotated Anodyne C=C1CS[C@H]([C@@](C=O)(NC(=O)c2ccccc2)OC)N=C1C(=O)O ZINC000095921292 ED Annotated Mild Cc1ccc(CC(=O)N(C[C@@H]2CN(C)CCO2)c2nccs2)cn1 ZINC000095961609 ED Annotated Anodyne Cc1ccc(CC(=O)N(C[C@H]2CN(C)CCO2)c2nccs2)cn1 ZINC000095961610 ED Annotated Anodyne CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(S(C)(=O)=O)C2)O1 ZINC000096018981 ED Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(S(C)(=O)=O)C2)O1 ZINC000096019011 ED Annotated Anodyne O=S1(=O)c2c(cccc2N2CC[C@H](O)C2)OCCCN1C1CC1 ZINC000096019163 ED Annotated Anodyne O=S1(=O)c2c(cccc2N2CC[C@@H](O)C2)OCCCN1C1CC1 ZINC000096019164 ED Annotated Anodyne COC[C@H]1CCCN1c1ccc2c(c1)O[C@H]1CCN(C1)S2(=O)=O ZINC000096019170 ED Annotated Anodyne COC[C@H]1CCCN1c1cccc2c1S(=O)(=O)N1CC[C@@H](C1)O2 ZINC000096019172 ED Annotated Anodyne COC[C@@H]1CCCN1c1cccc2c1S(=O)(=O)N1CC[C@@H](C1)O2 ZINC000096019173 ED Annotated Anodyne COC[C@H]1CCCN1c1cccc2c1S(=O)(=O)N1CC[C@H](C1)O2 ZINC000096019181 ED Annotated Anodyne COC[C@@H]1CCCN1c1cccc2c1S(=O)(=O)N1CC[C@H](C1)O2 ZINC000096019182 ED Annotated Anodyne COC[C@H]1CCCN1c1ccc2c(c1)O[C@@H]1CCN(C1)S2(=O)=O ZINC000096019190 ED Annotated Anodyne COC[C@@H]1CCCN1c1ccc2c(c1)O[C@@H]1CCN(C1)S2(=O)=O ZINC000096019191 ED Annotated Anodyne O=S1(=O)c2ccc(N3CC[C@H](O)C3)cc2OCCCN1C1CC1 ZINC000096019204 ED Annotated Anodyne O=S1(=O)c2ccc(N3CC[C@@H](O)C3)cc2OCCCN1C1CC1 ZINC000096019205 ED Annotated Anodyne COC[C@@H]1CCCN1c1ccc2c(c1)O[C@H]1CCN(C1)S2(=O)=O ZINC000096019211 ED Annotated Anodyne COc1ccc2c(c1)CN[C@@H]2CS(=O)(=O)NCc1ccccc1 ZINC000096020224 ED Annotated Anodyne COc1ccc2c(c1)CN[C@H]2CS(=O)(=O)NCc1ccccc1 ZINC000096020225 ED Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccccc1 ZINC000096020330 ED Annotated Anodyne C[C@@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1C ZINC000096020526 ED Annotated Anodyne C[C@@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1C ZINC000096020527 ED Annotated Anodyne C[C@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1C ZINC000096020530 ED Annotated Anodyne C[C@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1C ZINC000096020531 ED Annotated Anodyne CC(C)C[C@H]1COc2cc(N(C)CCO)ccc2S(=O)(=O)N1 ZINC000096020556 ED Annotated Anodyne CC(C)C[C@H]1COc2cccc(N(C)CCO)c2S(=O)(=O)N1 ZINC000096020871 ED Annotated Anodyne CC(C)C[C@H]1COc2cc(N3CC[C@@H](O)C3)ccc2S(=O)(=O)N1 ZINC000096020891 ED Annotated Anodyne CC(C)C[C@@H]1COc2cc(N3CC[C@H](O)C3)ccc2S(=O)(=O)N1 ZINC000096020893 ED Annotated Anodyne CC(C)C[C@H]1COc2cc(N3CC[C@H](O)C3)ccc2S(=O)(=O)N1 ZINC000096020895 ED Annotated Anodyne COC(=O)C1CCN([C@@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 ZINC000096021032 ED Annotated Anodyne COC(=O)C1CCN([C@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 ZINC000096021033 ED Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(NCCO)c21 ZINC000096021150 ED Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(NCCO)c21 ZINC000096021162 ED Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCOCC3)c2S(=O)(=O)N1 ZINC000096021171 ED Annotated Anodyne CC(C)C[C@H]1COc2cc(N3CCOCC3)ccc2S(=O)(=O)N1 ZINC000096021173 ED Annotated Anodyne CC(C)C[C@@H]1COc2cc(N3CCOCC3)ccc2S(=O)(=O)N1 ZINC000096021179 ED Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccccc1C ZINC000096021225 ED Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccccc1C ZINC000096021226 ED Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(C)cc1 ZINC000096021227 ED Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(C)cc1 ZINC000096021228 ED Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096021233 ED Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096021234 ED Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccccc1F ZINC000096021235 ED Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccccc1F ZINC000096021236 ED Annotated Anodyne CCCCN1C[C@H](COc2ccc(OC)cc2)OCCS1(=O)=O ZINC000096021248 ED Annotated Anodyne CCCCN1C[C@@H](COc2ccc(OC)cc2)OCCS1(=O)=O ZINC000096021249 ED Annotated Anodyne O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN(CCN1CCCC1)C2 ZINC000096038794 ED Annotated Anodyne COCCNC(=O)[C@H]1CN(Cc2scnc2C)C[C@H]2OCC[C@H]21 ZINC000096041140 ED Annotated Anodyne O=C([C@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21)N1CCCO1 ZINC000096041198 ED Annotated Anodyne O=C(C1CCOCC1)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096042221 ED Annotated Anodyne O=C([C@H]1C[C@H]2OCC[C@H]2N(C(=O)c2ccncc2)C1)N1CCCCO1 ZINC000096057678 ED Annotated Anodyne COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccoc1 ZINC000096061102 ED Annotated Anodyne COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccoc1 ZINC000096061103 ED Annotated Anodyne C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1cccnc1 ZINC000096062022 ED Annotated Anodyne C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1cccnc1 ZINC000096062023 ED Annotated Anodyne O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096063872 ED Annotated Anodyne O=C(c1cscn1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096064178 ED Annotated Anodyne CCc1cnc(N2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)nc1 ZINC000096064201 ED Annotated Anodyne CN(Cc1cccnc1)C[C@H]1OC[C@@H]2CCN(c3ncccn3)C[C@H]12 ZINC000096064357 ED Annotated Anodyne CN(C)C[C@@H]1C[C@@H]2CN(Cc3nccn3C)CC[C@@H]2N1CC1CC1 ZINC000096064372 ED Annotated Anodyne CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3nccs3)CC[C@@H]21 ZINC000096064406 ED Annotated Anodyne CN(Cc1cccnc1)[C@@H]1CN(c2ncc(F)cn2)[C@@H]2CCCO[C@H]12 ZINC000096064581 ED Annotated Anodyne Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CCOCC1 ZINC000096064698 ED Annotated Anodyne Cc1ncsc1CN1C[C@H]2OCC[C@H]2[C@H](C(=O)NCC2CC2)C1 ZINC000096064890 ED Annotated Anodyne O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncc(F)cn2)C1 ZINC000096064950 ED Annotated Anodyne Cc1cc(C(=O)N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)c(C)[nH]1 ZINC000096065174 ED Annotated Anodyne CN(Cc1cncnc1)[C@H]1CN(C(=O)c2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096065217 ED Annotated Anodyne CN(Cc1cncnc1)[C@H]1CN(C(=O)c2ccc[nH]2)[C@@H]2CCCO[C@H]12 ZINC000096065218 ED Annotated Anodyne O=C(C[C@@H]1COC[C@H]2CN(C3CCOCC3)C[C@@H]12)Nc1cnccn1 ZINC000096065282 ED Annotated Anodyne Cc1ccc(N2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)nn1 ZINC000096065380 ED Annotated Anodyne COc1ncccc1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCO2)C1 ZINC000096065604 ED Annotated Anodyne Cc1nnc([C@H]2C[C@H]3OCC[C@H]3N(S(=O)(=O)CC(C)C)C2)o1 ZINC000096065669 ED Annotated Anodyne O=C(C1CCOCC1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096065735 ED Annotated Anodyne Cc1noc(C)c1CN1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC000096066353 ED Annotated Anodyne O=C([C@H]1CCCO1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1 ZINC000096066872 ED Annotated Anodyne O=C([C@H]1CCCO1)N1Cc2nccn2C[C@H](COc2cccnc2)C1 ZINC000096066873 ED Annotated Anodyne COc1ncccc1CN1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC000096067050 ED Annotated Anodyne COc1ncccc1CN1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC000096067051 ED Annotated Anodyne CCc1ccc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)o1 ZINC000096067078 ED Annotated Anodyne CCc1ccc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)o1 ZINC000096067079 ED Annotated Anodyne Cc1cnc(N2Cc3nccn3C[C@H](Cn3nc(C)nc3C)C2)nc1 ZINC000096067146 ED Annotated Anodyne Cc1cnc(N2Cc3nccn3C[C@@H](Cn3nc(C)nc3C)C2)nc1 ZINC000096067147 ED Annotated Anodyne Cc1nccc(NCc2cncc3c2CCN(CCN(C)C)C3)n1 ZINC000096067467 ED Annotated Anodyne COCCn1c2c(ccc1=O)C[C@@H](NC(=O)c1cscn1)CC2 ZINC000096067623 ED Annotated Anodyne COCCn1c2c(ccc1=O)C[C@H](NC(=O)c1cscn1)CC2 ZINC000096067624 ED Annotated Anodyne CN(C)C(=O)Cn1c2c(ccc1=O)C[C@@H](NCc1ccoc1)CC2 ZINC000096067649 ED Annotated Anodyne CN(C)C(=O)Cn1c2c(ccc1=O)C[C@H](NCc1ccoc1)CC2 ZINC000096067650 ED Annotated Anodyne Cc1cc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)no1 ZINC000096067663 ED Annotated Anodyne Cc1cc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)no1 ZINC000096067664 ED Annotated Anodyne Cc1ccc(C(=O)N2CCc3ccc(=O)n(CCN(C)C)c3CC2)o1 ZINC000096067735 ED Annotated Anodyne COCCn1c2c(ccc1=O)CCN(C(=O)Cc1cccs1)CC2 ZINC000096067744 ED Annotated Anodyne O=c1ccc2c(n1CCN1CCCC1)CCN(c1ncccn1)CC2 ZINC000096067775 ED Annotated Anodyne O=C(NC1CC1)N1CCc2ccc(=O)n(CCN3CCCC3)c2CC1 ZINC000096067779 ED Annotated Anodyne COCCN1CCc2ccc(=O)n(Cc3csc(C)n3)c2CC1 ZINC000096067794 ED Annotated Anodyne CN(C)CCN1CCc2ncc(CN(C)Cc3ccco3)n2CC1 ZINC000096067933 ED Annotated Anodyne CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)Cc1cccs1)CCC2 ZINC000096068095 ED Annotated Anodyne CC(C)N(C)Cc1cc(=O)n2c(n1)CN(C(=O)c1ccc[nH]1)CCC2 ZINC000096068098 ED Annotated Anodyne CN(C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCc1ccccc1 ZINC000096068749 ED Annotated Anodyne CN(C)C(=O)N1CCc2c(nnn2C)[C@H]1COCc1ccccc1 ZINC000096068750 ED Annotated Anodyne Fc1cnc(NC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)nc1 ZINC000096069416 ED Annotated Anodyne Fc1cnc(NC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)nc1 ZINC000096069417 ED Annotated Anodyne c1cncc(-c2nnn3c2COC[C@@H](CNCC2CCOCC2)C3)c1 ZINC000096069480 ED Annotated Anodyne c1cncc(-c2nnn3c2COC[C@H](CNCC2CCOCC2)C3)c1 ZINC000096069481 ED Annotated Anodyne c1cncc(-c2nnn3c2COC[C@@H](CNC2CCOCC2)C3)c1 ZINC000096069486 ED Annotated Anodyne c1cncc(-c2nnn3c2COC[C@H](CNC2CCOCC2)C3)c1 ZINC000096069487 ED Annotated Anodyne COCCO[C@H]1CCN(C(=O)c2cnoc2C)[C@H]1Cc1cnn(C)c1 ZINC000096069961 ED Annotated Anodyne O=S(=O)(C1CC1)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccncc1 ZINC000096070005 ED Annotated Anodyne C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cscn1 ZINC000096070165 ED Annotated Anodyne C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cscn1 ZINC000096070167 ED Annotated Anodyne C[C@@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)Cc1cccs1 ZINC000096070171 ED Annotated Anodyne C[C@H]1c2ncc(Cn3cncn3)n2CCN1C(=O)Cc1cccs1 ZINC000096070172 ED Annotated Anodyne C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@]12CCN(CCN(C)C)C2=O ZINC000096070287 ED Annotated Anodyne COc1cc(N2CC[C@@H]3O[C@@H](c4ccnc(C)n4)C[C@H]3C2)ncn1 ZINC000096070575 ED Annotated Anodyne Cn1cc(CN2CCC[C@]3(CCN(C(=O)c4cnccn4)C3)C2)cn1 ZINC000096071644 ED Annotated Anodyne Cn1cc(CN2CCC[C@@]3(CCN(C(=O)c4cnccn4)C3)C2)cn1 ZINC000096071645 ED Annotated Anodyne Cc1cc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CO3)nn1C ZINC000096074268 ED Annotated Anodyne Cc1cc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)nn1C ZINC000096074269 ED Annotated Anodyne Cc1ccc(N[C@H]2COC3(CCN(Cc4ccn(C)n4)CC3)C2)nn1 ZINC000096074284 ED Annotated Anodyne Cc1ccc(N[C@@H]2COC3(CCN(Cc4ccn(C)n4)CC3)C2)nn1 ZINC000096074285 ED Annotated Anodyne Cn1ccc(CN2CCC3(CC2)C[C@H](Nc2cnccn2)CO3)n1 ZINC000096074298 ED Annotated Anodyne Cn1ccc(CN2CCC3(CC2)C[C@@H](Nc2cnccn2)CO3)n1 ZINC000096074299 ED Annotated Anodyne COc1cc(N2CCC3(CCCN3Cc3ccn(C)n3)CC2)ncn1 ZINC000096075316 ED Annotated Anodyne Cn1cc(CN2CCCC23CCN(Cc2nccn2C)CC3)cn1 ZINC000096075332 ED Annotated Anodyne COc1cc(N2CCC3(CCCN3Cc3cnn(C)c3)CC2)ncn1 ZINC000096075338 ED Annotated Anodyne c1cncc(CN2CCC[C@@]3(COCCN(c4cncnc4)C3)C2)c1 ZINC000096076563 ED Annotated Anodyne c1cncc(CN2CCC[C@]3(COCCN(c4cncnc4)C3)C2)c1 ZINC000096076564 ED Annotated Anodyne Cn1ccnc1CN1CCC2(CC1)COCCN(c1ncccn1)C2 ZINC000096078255 ED Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12 ZINC000096080103 ED Annotated Anodyne CCS(=O)(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC000096080747 ED Annotated Anodyne Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3cncn3C)C[C@H]21 ZINC000096081732 ED Annotated Anodyne O=C(c1ccccc1)N1CCO[C@@H]2CN(Cc3ccc[nH]3)C[C@@H]2C1 ZINC000096082326 ED Annotated Anodyne O=C(c1ccno1)N1CC[C@@H]2CN(C3CCOCC3)CCO[C@@H]2C1 ZINC000096082355 ED Annotated Anodyne COc1cc(N2CCc3ncnc(-c4cnn(C)c4)c3CC2)ncn1 ZINC000096083959 ED Annotated Anodyne Cn1nc(CN2CCCC2)c2c1CN(C(=O)c1cnccn1)CC2 ZINC000096084189 ED Annotated Anodyne c1coc(CN2CCc3nnc(COc4cncnc4)n3CC2)c1 ZINC000096084605 ED Annotated Anodyne c1csc(CN2CCc3nnc(COc4cncnc4)n3CC2)c1 ZINC000096084608 ED Annotated Anodyne c1ccc(CN2CCCn3nnc(CNc4ncccn4)c3C2)nc1 ZINC000096084701 ED Annotated Anodyne Cc1ccsc1C(=O)N1CCCn2nnc(Cn3cccn3)c2C1 ZINC000096084722 ED Annotated Anodyne Cn1nc(COc2cncnc2)c2c1CCN(Cc1ccco1)C2 ZINC000096084916 ED Annotated Anodyne Cn1nc(COc2cncnc2)c2c1CCN(Cc1ccccn1)C2 ZINC000096084917 ED Annotated Anodyne Cc1cnc(N2CCc3c(c(COc4cncnc4)nn3C)C2)nc1 ZINC000096084921 ED Annotated Anodyne Cc1cccc(CN2CCc3nnc(CN4CCCC4=O)n3CC2)n1 ZINC000096084962 ED Annotated Anodyne C=C[C@H]1c2cc(O)c(OC)cc2[C@@]2(O)C[C@]1(OC)C(OC)=CC2=O ZINC000096085771 ED Annotated Mild in-vitro CC(=O)O[C@H]1CC[C@H]2N3CC[C@@]2(c2cc4c(cc2C3)OCO4)[C@H]1O ZINC000096085996 ED Annotated Anodyne C[C@@H](CC(=O)NC(=O)c1c[nH]c(Cc2ccccc2)cc1=O)C(=O)O ZINC000096086172 ED Annotated Anodyne in-vitro C=C[C@]1(C)C=C2[C@H](O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)C[C@@H]1O ZINC000096086186 ED Annotated Mild C=C[C@@]1(C)CC[C@]2(O)C3=C(C(=O)[C@H](O)[C@]2(O)C1)C(C)(C)CC[C@H]3O ZINC000096086188 ED Annotated Mild CCCCC/C=C/C1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@@]23O[C@H]3[C@@H]1O ZINC000096086309 ED Annotated Anodyne c1cc(-c2nnn3c2CO[C@@H](CNCC2CCOCC2)C3)ccn1 ZINC000096087221 ED Annotated Anodyne c1cc(-c2nnn3c2CO[C@H](CNCC2CCOCC2)C3)ccn1 ZINC000096087222 ED Annotated Anodyne COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)o1 ZINC000096087227 ED Annotated Anodyne COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1Cc1ccc(C)o1 ZINC000096087228 ED Annotated Anodyne CC1=NC(=O)[C@]2(CC[C@@H]3CN(C(=O)NCCc4ccccc4)C[C@@H]32)N1 ZINC000096087537 ED Annotated Anodyne Cn1cccc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CCOCC1 ZINC000096088891 ED Annotated Anodyne CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)NCc3cccc(F)c3)C[C@H]12 ZINC000096088939 ED Annotated Anodyne CN1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)c3cnccn3)CC[C@@H]21 ZINC000096088945 ED Annotated Anodyne COCCN1CC[C@@H]2OC[C@H](C(=O)N(C)Cc3ccccn3)C[C@@H]2C1 ZINC000096089039 ED Annotated Anodyne O=C(NC[C@H]1CN(c2ncccn2)Cc2nccn2C1)c1cccnc1 ZINC000096089111 ED Annotated Anodyne O=C(NC[C@@H]1CN(c2ncccn2)Cc2nccn2C1)c1cccnc1 ZINC000096089112 ED Annotated Anodyne Cc1ccc(CN2CC[C@@H]3CN(S(C)(=O)=O)CCO[C@@H]3C2)o1 ZINC000096090826 ED Annotated Anodyne Cn1cccc1C(=O)N1CCn2nnc(COc3cccnc3)c2C1 ZINC000096090976 ED Annotated Anodyne O=C(c1ccc[nH]1)N1CCCn2c(CN3CCCCC3)nnc2C1 ZINC000096091021 ED Annotated Anodyne O=C(N[C@@H]1CN(c2ncccn2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC000096092190 ED Annotated Anodyne Cc1occc1C(=O)N1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC000096094466 ED Annotated Anodyne Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](NS(C)(=O)=O)[C@H]2C3)c(C)c1 ZINC000096095804 ED Annotated Anodyne O=C(NC[C@@H]1Cn2nnc(-c3ccsc3)c2CO1)c1ccc[nH]1 ZINC000096100594 ED Annotated Anodyne O=C(NC[C@H]1Cn2nnc(-c3ccsc3)c2CO1)c1ccc[nH]1 ZINC000096100595 ED Annotated Anodyne CC(C)NC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N(C)C)cn23)C1 ZINC000096156227 ED Annotated Anodyne CC(C)NC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N(C)C)cn23)C1 ZINC000096156228 ED Annotated Anodyne O=C(c1ccncn1)N1CC(Oc2ncccc2C2=CCOCC2)C1 ZINC000096168903 ED Annotated Anodyne N#Cc1cncc(N2CC[C@@H](S(=O)(=O)c3ccc(O)cc3)C2)n1 ZINC000096172347 ED Annotated Mild N#Cc1cncc(N2CC[C@H](S(=O)(=O)c3ccc(O)cc3)C2)n1 ZINC000096172348 ED Annotated Mild O=C1NCCCC[C@H]1NCc1ccn(Cc2ccccc2)c(=O)c1O ZINC000096173246 ED Annotated Anodyne O=C1NCCCC[C@@H]1NCc1ccn(Cc2ccccc2)c(=O)c1O ZINC000096173247 ED Annotated Anodyne Cn1cc(Nc2nc(-c3cnc(N)nc3)cc3ccn(C)c(=O)c23)cn1 ZINC000096174460 ED Annotated Anodyne OC[C@@H](O)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096175028 ED Annotated Anodyne OC[C@H](O)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096175029 ED Annotated Anodyne Cn1cccc(NC2=NCc3ccnc(OC4CCOCC4)c32)c1=O ZINC000096176056 ED Annotated Anodyne Cn1cccc1C(=O)N1C[C@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC000096185048 ED Annotated Anodyne O=C1CC[C@H]2[C@H](CCN2C(=O)[C@@H]2CCCO2)N1Cc1ccncc1 ZINC000096186407 ED Annotated Anodyne O=C1CC[C@H]2[C@H](CCN2C(=O)[C@H]2CCCO2)N1Cc1ccncc1 ZINC000096186408 ED Annotated Anodyne COc1cc(N2CC[C@H]3O[C@H](C(=O)NC4CCCC4)CC[C@H]32)ncn1 ZINC000096186964 ED Annotated Anodyne O=C(c1ccnnc1)N1C[C@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 ZINC000096187083 ED Annotated Anodyne O=C(c1ccnnc1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096187100 ED Annotated Anodyne Cc1nc(COC[C@H]2CN(C(=O)N(C)C)Cc3nccn3C2)cs1 ZINC000096188124 ED Annotated Anodyne Cc1nc(COC[C@@H]2CN(C(=O)N(C)C)Cc3nccn3C2)cs1 ZINC000096188126 ED Annotated Anodyne CN(C)C[C@H]1CN(C(=O)NCc2ccccc2)Cc2nccn2C1 ZINC000096188266 ED Annotated Anodyne CN(C)C[C@@H]1CN(C(=O)NCc2ccccc2)Cc2nccn2C1 ZINC000096188267 ED Annotated Anodyne Cc1noc(C)c1CN1Cc2nccn2C[C@H](CN2CCOCC2)C1 ZINC000096188494 ED Annotated Anodyne Cc1noc(C)c1CN1Cc2nccn2C[C@@H](CN2CCOCC2)C1 ZINC000096188495 ED Annotated Anodyne CN(C)CCn1c2c(ccc1=O)CCN(Cc1ccncc1)CC2 ZINC000096196650 ED Annotated Anodyne Cc1cccc(-c2nnn3c2CO[C@@H](CNC(=O)N2CCCC2)C3)c1 ZINC000096199301 ED Annotated Anodyne Cc1cccc(-c2nnn3c2CO[C@H](CNC(=O)N2CCCC2)C3)c1 ZINC000096199302 ED Annotated Anodyne COCCO[C@@H]1CCN(c2cc(OC)ncn2)[C@H]1Cc1cnn(C)c1 ZINC000096200221 ED Annotated Anodyne COCCO[C@H]1CCN(c2cc(OC)ncn2)[C@H]1Cc1ccncc1 ZINC000096200758 ED Annotated Anodyne O=C(NCc1cnc2n1CCN(Cc1nccs1)C2)c1ccno1 ZINC000096201194 ED Annotated Anodyne C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1cnn(C)c1 ZINC000096201298 ED Annotated Anodyne C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1cnn(C)c1 ZINC000096201299 ED Annotated Anodyne COCCN1C[C@@H](C)[C@@]2(COCCN(C(=O)c3cccc(C)n3)C2)C1 ZINC000096202386 ED Annotated Anodyne CNC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3cccnc3)CC2)CO1 ZINC000096224970 ED Annotated Anodyne CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3cccnc3)CC2)CO1 ZINC000096224971 ED Annotated Anodyne Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)NC(C)C)C1 ZINC000096244478 ED Annotated Anodyne Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)NC(C)C)C1 ZINC000096244479 ED Annotated Anodyne Cn1cccc1C(=O)NC[C@H]1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O1 ZINC000096251661 ED Annotated Anodyne O=C(c1cccnc1)N1CCn2nnc(COc3cccnc3)c2C1 ZINC000096256000 ED Annotated Anodyne c1ccc(CN2CCc3nnc(CN4CCCCC4)n3CC2)nc1 ZINC000096259888 ED Annotated Anodyne Cn1cc(CN2CCc3onc(COc4cccnc4)c3C2)cn1 ZINC000096260110 ED Annotated Anodyne Cn1nccc1-c1ccc2nc(C3CCN(CCO)CC3)nn2c1 ZINC000096260726 ED Annotated Anodyne CC(C)CN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(C(=O)C(C)C)CC1 ZINC000096262220 ED Annotated Anodyne NCCCNc1ncc(C(N)=O)n2cc(-c3ccc(Cl)cc3)nc12 ZINC000096269914 ED Annotated Anodyne CC1(n2nnc3cnc4[nH]ccc4c32)CCN(S(C)(=O)=O)CC1 ZINC000096271464 ED Annotated Anodyne C[C@H](O)CN(C[C@@H](C)O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000096272547 ED Annotated Bother C[C@@H](O)CN(C[C@@H](C)O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000096272548 ED Annotated Bother C[C@H](O)CN(C[C@H](C)O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000096272549 ED Annotated Bother CN(C)S(=O)(=O)N1CCc2nc(C#Cc3ccccc3)sc2C1 ZINC000096272999 ED Annotated Mild CC1(C)OC(N[C@@H](CCO)c2ccccc2)=NS(=O)(=O)C1(C)C ZINC000096273930 ED Annotated Anodyne O=S1(=O)N=C(N[C@@H](CCO)c2ccccc2)O[C@H]2CCCC[C@H]21 ZINC000096273939 ED Annotated Anodyne O=S1(=O)N=C(NC23CCC(O)(CC2)CC3)O[C@H]2CCCC[C@H]21 ZINC000096273946 ED Annotated Anodyne NCC[C@H](NC1=NS(=O)(=O)[C@@H]2CCCC[C@@H]2O1)c1ccccc1 ZINC000096273960 ED Annotated Anodyne O=S1(=O)N=C(N[C@H](CCO)c2ccccc2)O[C@H]2CCCC[C@H]21 ZINC000096273961 ED Annotated Anodyne N#Cc1ccc2cc3c(=O)[nH]c(=O)nc-3n(-c3cccc(N)c3)c2c1 ZINC000096282695 ED Annotated Mild N#Cc1ccc2cc3c(=O)[nH]c(=O)nc-3n(-c3ccc(O)cc3)c2c1 ZINC000096282702 ED Annotated Mild N#Cc1ccc2cc3c(=O)[nH]c(=O)nc-3n(-c3cccc(O)c3)c2c1 ZINC000096282703 ED Annotated Mild O=c1[nH]c(=S)[nH]c2nc(Cc3ccc(Br)cc3)nn12 ZINC000096282946 ED Annotated Anodyne N#Cc1nc(C(=O)NCC(=O)O)c(O)c2sc3ccccc3c12 ZINC000096285195 ED Annotated Mild Cc1ccc(C(=O)C[C@@]2(C#N)C(N3CCOCC3)=NC(N)=C2C#N)cc1 ZINC000096336748 ED Annotated Reactive Cc1ccc(C(=O)C[C@]2(C#N)C(N3CCOCC3)=NC(N)=C2C#N)cc1 ZINC000096336749 ED Annotated Reactive C[C@]12CC[C@]3(O)C[C@@]1(CC[C@H]1[C@@]24CCC[C@@]1(C)C(=O)O4)C(=O)C3=O ZINC000096888318 ED Annotated Clean CCOC(=O)[C@]1(CC)N[C@@H](c2ccco2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000096901064 ED Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@@H](c2ccco2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000096901065 ED Annotated Anodyne COc1ccc2c(c1)[C@@H](NN1CCN(C)CC1)c1cccnc1CO2 ZINC000096901998 ED Annotated Anodyne CSc1nc(Cl)c2cc(C)n([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1 ZINC000096902804 ED Annotated Anodyne CSc1nc(N)c2cc(Cl)n([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1 ZINC000096902846 ED Annotated Anodyne CCC[C@H](NCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C(=O)O ZINC000096902920 ED Annotated Anodyne CCC[C@H](NCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)C(=O)O ZINC000096902921 ED Annotated Anodyne CCC[C@H](NCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)C(=O)O ZINC000096902922 ED Annotated Anodyne C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 ZINC000096903434 ED Annotated Anodyne CCOC(=O)C[C@H]([C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC)n1ccnc1 ZINC000096903654 ED Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6CC[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O ZINC000096904467 ED Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3N3CCOCC3)ccc12 ZINC000096905477 ED Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3N3CCOCC3)ccc12 ZINC000096905478 ED Annotated Anodyne CC(C)CNc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1 ZINC000096905622 ED Annotated Anodyne CC(C)CCc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1 ZINC000096905623 ED Annotated Anodyne O=S(=O)(c1ccccc1)c1c(OCCCCCCO)no[n+]1[O-] ZINC000096906297 ED Annotated Anodyne CC(=O)O[C@@H]1C=C[C@@H]2CCN3C(=O)c4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000096907213 ED Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000096907214 ED Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](C(N)=O)OC(=O)N32)cn1 ZINC000096907349 ED Annotated Mild CCCCNC[C@H](O)COc1cc2c(cc1OC)CO[C@H](C)C2=O ZINC000096908371 ED Annotated Anodyne CCCCNC[C@@H](O)COc1cc2c(cc1OC)CO[C@H](C)C2=O ZINC000096908372 ED Annotated Anodyne CCCCNC[C@H](O)COc1cc2c(cc1OC)CO[C@@H](C)C2=O ZINC000096908373 ED Annotated Anodyne CCCCNC[C@@H](O)COc1cc2c(cc1OC)CO[C@@H](C)C2=O ZINC000096908374 ED Annotated Anodyne CCCCNC[C@H](O)COc1cc2c(cc1OC)C(=O)[C@H](C)OC2 ZINC000096908399 ED Annotated Anodyne CCCCNC[C@@H](O)COc1cc2c(cc1OC)C(=O)[C@H](C)OC2 ZINC000096908400 ED Annotated Anodyne CCCCNC[C@H](O)COc1cc2c(cc1OC)C(=O)[C@@H](C)OC2 ZINC000096908401 ED Annotated Anodyne CCCCNC[C@@H](O)COc1cc2c(cc1OC)C(=O)[C@@H](C)OC2 ZINC000096908402 ED Annotated Anodyne CCCCNC[C@H](O)COc1c(OC)ccc2c1CO[C@H](C)C2=O ZINC000096908427 ED Annotated Anodyne CCCCNC[C@@H](O)COc1c(OC)ccc2c1CO[C@H](C)C2=O ZINC000096908428 ED Annotated Anodyne CCCCNC[C@H](O)COc1c(OC)ccc2c1CO[C@@H](C)C2=O ZINC000096908429 ED Annotated Anodyne CCCCNC[C@@H](O)COc1c(OC)ccc2c1CO[C@@H](C)C2=O ZINC000096908430 ED Annotated Anodyne C[N+]1([O-])CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096909154 ED Annotated Bother O=C1OC2(CCCCC2)c2ccn(CCCN3CCOCC3)c(=O)c21 ZINC000096909308 ED Annotated Anodyne CC[C@@]1(C)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909314 ED Annotated Anodyne CC[C@]1(C)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909315 ED Annotated Anodyne CC[C@H](CO)NC(=O)Nc1ccc(NC(=O)N[C@H](CC)CO)cc1 ZINC000096909346 ED Annotated Anodyne CO[C@H]1C[C@@H]2c3cc4c(cc3C(=O)N(C)[C@H]2[C@H](OC)[C@@H]1OC)OCO4 ZINC000096909474 ED Annotated Anodyne CO[C@H]1C=C2c3cc4c(cc3C(=O)N(C)[C@H]2[C@H](OC)[C@@H]1OC)OCO4 ZINC000096909483 ED Annotated Anodyne CCN(CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)OC21CCCCC1 ZINC000096909505 ED Annotated Anodyne CCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)OC21CCCCC1 ZINC000096909506 ED Annotated Anodyne N#Cc1c(-c2ccco2)nc(SC[C@@H]2CO2)nc1N1CCOCC1 ZINC000096910358 ED Annotated Mild N#Cc1c(-c2ccco2)nc(SC[C@H]2CO2)nc1N1CCOCC1 ZINC000096910359 ED Annotated Mild CCOc1ccc(/C=C/[C@](N)(S)NNC(=O)c2ccncc2)cc1 ZINC000096910753 ED Annotated Reactive CCOc1ccc(/C=C/[C@@](N)(S)NNC(=O)c2ccncc2)cc1 ZINC000096910754 ED Annotated Reactive CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCOCC3)[C@@H]2CC1 ZINC000096910781 ED Annotated Anodyne O=C(O)C[C@@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(=O)O ZINC000096910831 ED Annotated Anodyne COc1ccc(/C=N/n2cnc3[nH]ncc3c2=O)c(OC)c1OC ZINC000096911046 ED Annotated Mild CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(C)=O)c(C(F)(F)F)[n+]2[O-] ZINC000096911060 ED Annotated Anodyne COC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)OC(C)(C)C)c(C)[n+]2[O-] ZINC000096911069 ED Annotated Anodyne COC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccccc1)c(C)[n+]2[O-] ZINC000096911070 ED Annotated Anodyne COC(=O)c1ccc2c(c1)[n+]([O-])c(C(C)=O)c(C(F)(F)F)[n+]2[O-] ZINC000096911073 ED Annotated Anodyne Cn1c(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O ZINC000096911097 ED Annotated Mild CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(OC)cc2[n+]1[O-] ZINC000096911113 ED Annotated Anodyne CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(C)c(C)cc2[n+]1[O-] ZINC000096911115 ED Annotated Anodyne CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000096911116 ED Annotated Anodyne COc1cc(/C=N/n2cnc3[nH]ncc3c2=O)cc(OC)c1OC ZINC000096913387 ED Annotated Mild CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000096913457 ED Annotated Anodyne Cc1cc(C)cc(Cn2c(=O)cc(N)n(Cc3ccncc3)c2=O)c1 ZINC000096914705 ED Annotated Anodyne COc1cncc(-c2cccc(C3=N[C@H]4C(C(N)=O)=CC=C[C@@H]4N3)c2)c1 ZINC000096916080 ED Annotated Anodyne COc1cncc(-c2cccc(C3=N[C@@H]4C(C(N)=O)=CC=C[C@@H]4N3)c2)c1 ZINC000096916082 ED Annotated Anodyne COc1cncc(-c2cccc(C3=N[C@H]4C(C(N)=O)=CC=C[C@H]4N3)c2)c1 ZINC000096916084 ED Annotated Anodyne COc1cncc(-c2cccc(C3=N[C@@H]4C(C(N)=O)=CC=C[C@H]4N3)c2)c1 ZINC000096916086 ED Annotated Anodyne N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(O)c(O)cc41)[C@@H]32 ZINC000096917444 ED Annotated Mild O=C1C[C@@H](c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)CN1 ZINC000096917619 ED Annotated Clean O=C1C[C@H](c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)CN1 ZINC000096917620 ED Annotated Clean Nc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C(=O)c3ccccc32)cc1 ZINC000096917671 ED Annotated Clean CCC[C@H]1O[C@H](CC(=O)O)C[C@]23O[C@]12C(=O)c1c(O)cccc1[C@@H]3O ZINC000096921449 ED Annotated Anodyne O=C(O)/C(=C/c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1C(=O)O ZINC000096921734 ED Annotated Clean CCOC(=O)N1CCN(Cc2oc(CCl)cc(=O)c2O)CC1 ZINC000096922491 ED Annotated Reactive COc1c(O)c(C)c(O)c2c1OC[C@@](O)(Cc1ccc(O)cc1)C2=O ZINC000096923436 ED Annotated Anodyne Cc1c(O)c(C)c2c(c1O)C(=O)[C@](O)(Cc1ccc(O)cc1)CO2 ZINC000096923437 ED Annotated Anodyne C/C(=N\NC1=NC(=O)[C@@H](C)S1)c1ccc(N2CCOCC2)cc1 ZINC000096927929 ED Annotated Mild C/C(=N\NC1=NC(=O)[C@H](C)S1)c1ccc(N2CCOCC2)cc1 ZINC000096927930 ED Annotated Mild CN1CCN(c2nc3c(c(OCc4ccco4)n2)CCNCC3)CC1 ZINC000096928123 ED Annotated Anodyne N#Cc1c(N)nc2c(C#N)c(N3CCCC3)nn2c1N1CCCCC1 ZINC000096928787 ED Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3nc(C)no3)c(F)c2)C(=O)O1 ZINC000096928823 ED Annotated Anodyne CC(=O)NC[C@@H]1CN(c2ccc(-c3nc(C)no3)c(F)c2)C(=O)O1 ZINC000096928824 ED Annotated Anodyne Cc1noc(-c2ccc(N3C[C@H](Cn4cncn4)OC3=O)cc2F)n1 ZINC000096928839 ED Annotated Anodyne Cc1noc(-c2ccc(N3C[C@@H](Cn4cncn4)OC3=O)cc2F)n1 ZINC000096928840 ED Annotated Anodyne CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccccc1 ZINC000096929438 ED Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccccc1 ZINC000096929439 ED Annotated Bother COc1cc(-c2nc(S)n3nnnc3c2C#N)cc(OC)c1OC ZINC000096932362 ED Annotated Mild COc1cc(-c2nc(S)n3cnnc3c2C#N)cc(OC)c1OC ZINC000096932367 ED Annotated Mild O=C(c1ccccc1)N1C(=S)NN[C@]12Nc1ccccc1NC2=O ZINC000096932637 ED Annotated Anodyne O=C(c1ccccc1)N1C(=S)NN[C@@]12Nc1ccccc1NC2=O ZINC000096932638 ED Annotated Anodyne COc1cc(-c2nc(S)n3ncnc3c2C#N)cc(OC)c1OC ZINC000096932756 ED Annotated Mild COc1cc(-c2nc(S)nc(NN)c2C#N)cc(OC)c1OC ZINC000096932762 ED Annotated Mild NCCCOc1ccccc1-c1nc(C(N)=O)c(NC(N)=O)s1 ZINC000096932954 ED Annotated Anodyne CC(C)(CCS(=O)(=O)CCCC[C@H](O)CO)N(Cl)Cl ZINC000096933034 ED Annotated Anodyne CC(C)(CCS(=O)(=O)CCCC[C@@H](O)CO)N(Cl)Cl ZINC000096933035 ED Annotated Anodyne CC(=O)OC[C@H](O)CS(=O)(=O)CCC(C)(C)N(Cl)Cl ZINC000096933037 ED Annotated Anodyne CC(=O)OC[C@@H](O)CS(=O)(=O)CCC(C)(C)N(Cl)Cl ZINC000096933038 ED Annotated Anodyne CCCOc1nc(N)nc2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c12 ZINC000096933051 ED Annotated Clean CC(C)Oc1nc(N)nc2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c12 ZINC000096933052 ED Annotated Clean CN(C)CCO/N=C1\C(=O)c2c(nc3ccccn23)-c2ccncc21 ZINC000096933180 ED Annotated Mild CN(C)CCO/N=C1\C(=O)c2c(nc3ccccn23)-c2cnccc21 ZINC000096933184 ED Annotated Mild CCCCOc1nc(N)nc2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c12 ZINC000096933208 ED Annotated Clean [N-]=[N+]=N[C@H]1C[C@H](n2cnc3nc(N)nc(OC4CCC4)c32)O[C@@H]1CO ZINC000096933209 ED Annotated Clean CCCNc1nc(N)nc2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c12 ZINC000096933215 ED Annotated Clean CCCCNc1nc(N)nc2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c12 ZINC000096933217 ED Annotated Clean CCCN(C)c1nc(N)nc2ncn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c12 ZINC000096933222 ED Annotated Clean C[C@@H](NC(=O)c1ncc(C#Cc2cccc(F)c2)cn1)C(C)(C)O ZINC000096933544 ED Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)nn1)C(C)(C)O ZINC000096933545 ED Annotated Mild C[C@@H](NC(=O)c1cnc(C#Cc2cccc(F)c2)cn1)C(C)(C)O ZINC000096933546 ED Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)n2)cn1)C(C)(C)O ZINC000096933566 ED Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2ccc(F)cn2)cn1)C(C)(C)O ZINC000096933567 ED Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2cc(F)ccn2)cn1)C(C)(C)O ZINC000096933568 ED Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2ncccc2F)cn1)C(C)(C)O ZINC000096933569 ED Annotated Mild CN1O[C@@H](n2cc3cc(-c4ccccc4)oc3nc2=O)C[C@H]1CO ZINC000096935181 ED Annotated Anodyne CN1O[C@@H](n2cc3cc(-c4ccccc4)oc3nc2=O)C[C@@H]1CO ZINC000096935182 ED Annotated Anodyne N/C(=N\O)c1ccc(-c2cncc(-c3ccc(/C(N)=N/O)cc3)n2)cc1 ZINC000096938467 ED Annotated Mild N/C(=N\O)c1ccc(-c2cncc(-c3ccc(/C(N)=N/O)cn3)n2)cc1 ZINC000096938472 ED Annotated Mild N/C(=N\O)c1ccc(-c2cncc(-c3ccc(/C(N)=N/O)nc3)n2)cc1 ZINC000096938475 ED Annotated Mild Nc1nc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cs1 ZINC000096938685 ED Annotated Anodyne Cn1cc(N)c(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)n1 ZINC000096938686 ED Annotated Anodyne N#CCN1C(=O)N(Cc2cccc(F)c2)S(=O)(=O)n2cccc21 ZINC000096938776 ED Annotated Mild COc1c(F)c[n+](CCC[n+]2cc(F)c(OC)c(F)c2)cc1F ZINC000096938852 ED Annotated Anodyne CS(=O)(=O)Cc1nc2ccc(Br)cn2c1[N+](=O)[O-] ZINC000096939372 ED Annotated Bother Cc1cccc(CN2CC[C@@H]3O[C@@H](C(=O)N4CCN(C)CC4)C[C@@H]32)c1 ZINC000097954345 ED Annotated Anodyne O=C(c1ccccc1)N1CCCN(C[C@@H]2CCOC2)/C1=N\[N+](=O)[O-] ZINC000098083542 ED Annotated Mild O=C(c1ccccc1)N1CCCN(C[C@H]2CCOC2)/C1=N\[N+](=O)[O-] ZINC000098083543 ED Annotated Mild CCN(CC)CN1C(=O)/C(=N/NC(N)=S)c2cc(Cl)ccc21 ZINC000098084674 ED Annotated Mild O=C(O)c1ccc(CNS(=O)(=O)c2ccsc2C(=O)O)cc1 ZINC000098207931 ED Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)[C@H](O)CCl)cc1 ZINC000098208227 ED Annotated Reactive O=C(N[C@@H](CSCc1ccccn1)C(=O)O)c1ncccc1O ZINC000098208557 ED Annotated Anodyne C[C@@H](O)[C@H](N)C1=N/C(=C\c2ccc(N=[N+]=[N-])cc2)C(=O)N1CC(=O)O ZINC000098208754 ED Annotated Mild CSCCC(=O)C1=N/C(=C/c2ccc(O)cc2)C(=O)N1CC=O ZINC000098208757 ED Annotated Mild COc1ccc2ccc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)cc2c1 ZINC000098209040 ED Annotated Anodyne COc1cc2ccccc2cc1CCc1c(C(=O)O)[nH]c(=O)[nH]c1=O ZINC000098209560 ED Annotated Anodyne