OCc1ccc(-c2nn(Cc3ccccc3)c3cc4c(cc23)OCO4)o1 ZINC000000003494 EH Annotated Anodyne CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CCCC1 ZINC000000003822 EH Annotated Anodyne COc1cccc(-c2nc(CN(C)Cc3ccccc3)c[nH]2)c1OC ZINC000000005518 EH Annotated Anodyne COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)cc1 ZINC000000005831 EH Annotated Anodyne Cc1cc(NCCN2[C@H]3CCC[C@@H]2CC3)nnc1-c1ccccc1O ZINC000000005948 EH Annotated Anodyne O=C(O)CCN1CCC(=C2c3ccccc3COc3ccccc32)CC1 ZINC000000006183 EH Annotated Anodyne CN(C(=O)c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)ccc12 ZINC000000006516 EH Annotated Anodyne O=C1CCN([C@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1 ZINC000000007759 EH Annotated Anodyne CC(C)(C)C(=O)OC[C@@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000000009030 EH Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Nc1ccccn1 ZINC000000010262 EH Annotated Clean CN[C@H](Cc1cc(Br)ccc1N)c1sccc1C ZINC000000010310 EH Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[N+](C)(C)C)O2 ZINC000000012154 EH Annotated Bother N=c1sc2cc(OC(F)(F)F)ccc2n1CCN1CCCCC1 ZINC000000012300 EH Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccncc3)nc2cc1-n1ccnc1 ZINC000000012632 EH Annotated Anodyne Cn1ncc2c3c(ccc21)ncc1c(O)n(-c2ccc(Cl)cc2)nc13 ZINC000000012815 EH Annotated Bother CCc1nc(C)cn1-c1ccc2nc(O)c3c(C)nc(CC)n3c2c1 ZINC000000013047 EH Annotated Anodyne CCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000000014657 EH Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2C1=O ZINC000000015977 EH Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2C1=O ZINC000000015979 EH Annotated Anodyne COc1cc2c(=O)cc3c4ccccc4sn3c2c(OC)c1OC ZINC000000016687 EH Annotated Bother CN1C(=O)Nc2ccc(Cl)cc2[C@]1(C#Cc1ccccn1)C1CC1 ZINC000000017076 EH Annotated Mild O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1[C@H]1CCc2ccccc21 ZINC000000017289 EH Annotated Anodyne CC1(C)C=C(c2cccc[n+]2[O-])c2cc(Br)ccc2C1=O ZINC000000018511 EH Annotated Anodyne O=C1c2c(O)cccc2C(=Cc2ccc(O)cc2)c2cccc(O)c21 ZINC000000019540 EH Annotated Anodyne O=C1c2c(O)cccc2C(=Cc2ccc(O)c(O)c2)c2cccc(O)c21 ZINC000000019541 EH Annotated Clean Nc1cc(Cl)nc(SCc2cccc(Br)c2)n1 ZINC000000020095 EH Annotated Anodyne Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(C)c2)o1 ZINC000000021315 EH Annotated Anodyne O=C1Nc2cc(Cl)cc(Cl)c2[C@]1(O)c1cc(Cl)ccc1O ZINC000000021694 EH Annotated Anodyne CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccc(Cl)cc1S2 ZINC000000023631 EH Annotated Mild CCCc1c(O)cc2oc3cc(Cl)c(Cl)n3c(=O)c2c1O ZINC000000024427 EH Annotated Anodyne Cc1c([C@H](C)c2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O ZINC000000024489 EH Annotated Anodyne COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1OC(C)=O ZINC000000025487 EH Annotated Anodyne Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC2)c1 ZINC000000026267 EH Annotated Anodyne CC(C)Oc1ccccc1CNC(=O)Nc1ccc2cnccc2n1 ZINC000000026479 EH Annotated Anodyne O=S(=O)(/N=c1\cc(-c2ccccc2)ss1)c1ccccc1 ZINC000000049542 EH Annotated Anodyne CCN(CC)C[C@H](O)Cn1c2c(c3cc(Cl)ccc31)CCCC2=O ZINC000000074827 EH Annotated Anodyne CCN(CC)C[C@@H](O)Cn1c2c(c3cc(Cl)ccc31)CCCC2=O ZINC000000074831 EH Annotated Anodyne Cc1ccnc(N(C(=O)Nc2ccccc2)C2=NC[C@@H](C)S2)c1 ZINC000000086894 EH Annotated Anodyne Cc1ccnc(N(C(=O)Nc2ccccc2)C2=NC[C@H](C)S2)c1 ZINC000000086902 EH Annotated Anodyne N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccco1 ZINC000000088447 EH Annotated Reactive N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccco1 ZINC000000088449 EH Annotated Reactive COc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1O ZINC000000088565 EH Annotated Mild S=C(NCCc1ccccn1)Nc1cc(Cl)cc(Cl)c1 ZINC000000089126 EH Annotated Anodyne COC(=O)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)cc1 ZINC000000094352 EH Annotated Clean CSc1nc(COc2ccc(C(C)(C)C)cc2)nc(N)c1C#N ZINC000000124506 EH Annotated Mild CC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@H]3[C@@H]2C ZINC000000171843 EH Annotated Anodyne O=C1CS[C@H](c2ccc(Br)cc2)N1Cc1ccco1 ZINC000000179817 EH Annotated Anodyne COc1cccc(-c2ncnn2-c2ccc(Cl)c(C)c2)c1OC ZINC000000180988 EH Annotated Anodyne COc1ccc(-c2ncnn2-c2ccc(Br)cc2F)cc1 ZINC000000182355 EH Annotated Anodyne Nc1nc(Cl)nc(Nc2ccccc2SCCC(F)(F)F)n1 ZINC000000186144 EH Annotated Anodyne C[C@H]1CCc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 ZINC000000189687 EH Annotated Anodyne C[C@@H]1CCc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 ZINC000000189690 EH Annotated Anodyne COc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1C(N)=O ZINC000000194694 EH Annotated Bother Cc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1 ZINC000000196930 EH Annotated Anodyne Cc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1 ZINC000000196937 EH Annotated Anodyne O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1 ZINC000000198146 EH Annotated Clean CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1c(F)cccc1F ZINC000000201133 EH Annotated Anodyne Cc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)c1C ZINC000000201223 EH Annotated Anodyne Cc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1C ZINC000000201224 EH Annotated Anodyne Cc1cccnc1NC(=O)c1cc2c(=O)oc3ccccc3c2s1 ZINC000000201328 EH Annotated Anodyne Fc1nc(N2CCOCC2)c(F)c(Oc2ccc(Cl)cc2)c1F ZINC000000203860 EH Annotated Anodyne CC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 ZINC000000206257 EH Annotated Anodyne N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000207475 EH Annotated Reactive N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000207476 EH Annotated Reactive C/C(CC[C@H]1C[C@H](C)OC1=O)=N\N=c1\[nH]c(-c2ccccc2)cs1 ZINC000000207975 EH Annotated Mild Cc1ccc2c(c1)[C@H]1CCC[C@@H]3[C@H]1N2CC(=O)N3Cc1ccccc1 ZINC000000210144 EH Annotated Anodyne COc1ccc(Cl)cc1N(C)C(=O)c1coc(=O)c2ccccc12 ZINC000000211803 EH Annotated Anodyne Cc1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)nc1 ZINC000000211835 EH Annotated Anodyne O=C(NC1CCCCC1)c1cc2c(=O)[nH]c3ccccc3c2s1 ZINC000000211888 EH Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC(=O)N2 ZINC000000212143 EH Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC(=O)N2 ZINC000000212144 EH Annotated Anodyne CCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccc(F)cc1 ZINC000000212145 EH Annotated Anodyne CCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1 ZINC000000212147 EH Annotated Anodyne CCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000000212159 EH Annotated Anodyne CCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000000212160 EH Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC(=O)N2 ZINC000000212186 EH Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC(=O)N2 ZINC000000212188 EH Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)CC(=O)N2 ZINC000000212197 EH Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccco1)CC(=O)N2 ZINC000000212198 EH Annotated Anodyne O=C1CN(C(=O)C2CC2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000000212207 EH Annotated Anodyne O=C1CN(C(=O)C2CC2)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000000212208 EH Annotated Anodyne CC(C)CC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000000212211 EH Annotated Anodyne CC(C)CC(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000000212212 EH Annotated Anodyne COCC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1C(C)(C)C ZINC000000212759 EH Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@@H]1c1ccccc1 ZINC000000213067 EH Annotated Anodyne CCc1ccc2nc(N3CCC(C(=O)NC(C)C)CC3)sc2c1 ZINC000000213138 EH Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000000214787 EH Annotated Anodyne CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000000214788 EH Annotated Anodyne CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000000214791 EH Annotated Anodyne CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000000214793 EH Annotated Anodyne CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000000214794 EH Annotated Anodyne COc1ccc(/C(O)=N/CC/C(O)=N/[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000000216159 EH Annotated Mild COc1ccc(/C(O)=N/CC/C(O)=N/[C@@H]2CCCC[C@H]2C)cc1OC ZINC000000216161 EH Annotated Mild COc1ccc(/C(O)=N/CC/C(O)=N/[C@H]2CCCC[C@@H]2C)cc1OC ZINC000000216163 EH Annotated Mild COc1ccc(/C(O)=N/CC/C(O)=N/[C@H]2CCCC[C@H]2C)cc1OC ZINC000000216166 EH Annotated Mild Cc1nc2c(/C(O)=N/C3CC3)cnn2c(C)c1Cc1ccccc1F ZINC000000216965 EH Annotated Mild Cc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000000218975 EH Annotated Anodyne Cc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000000218978 EH Annotated Anodyne COC(=O)Cc1nc(NC2CCCCC2)c2c(C)c(C)sc2n1 ZINC000000221488 EH Annotated Anodyne COC(=O)Cc1nc(NCc2ccccc2)c2c(C)c(C)sc2n1 ZINC000000221490 EH Annotated Anodyne COc1ccc(OC)c([C@H]2C[C@@H](c3cccs3)Nc3ncnn32)c1 ZINC000000221789 EH Annotated Anodyne COc1ccc(OC)c([C@@H]2C[C@@H](c3cccs3)Nc3ncnn32)c1 ZINC000000221790 EH Annotated Anodyne COc1ccc(OC)c([C@H]2C[C@H](c3cccs3)Nc3ncnn32)c1 ZINC000000221792 EH Annotated Anodyne COc1ccc(OC)c([C@@H]2C[C@H](c3cccs3)Nc3ncnn32)c1 ZINC000000221795 EH Annotated Anodyne Cc1c(C(=O)NC(C)C)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000000223788 EH Annotated Anodyne Cc1c(C(=O)NC(C)C)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000000223791 EH Annotated Anodyne CCN(CC)c1ncnc2sc(C(=O)N3CCC[C@@H](C)C3)c(C)c12 ZINC000000223811 EH Annotated Anodyne CCN(CC)c1ncnc2sc(C(=O)N3CCC[C@H](C)C3)c(C)c12 ZINC000000223812 EH Annotated Anodyne CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 ZINC000000224371 EH Annotated Clean Cc1cc(/C=N/c2ccc(C(N)=O)cc2)c(O)c(Br)c1C ZINC000000225194 EH Annotated Mild CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1 ZINC000000234407 EH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1 ZINC000000234410 EH Annotated Anodyne CC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C ZINC000000238027 EH Annotated Anodyne O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Br)cc1 ZINC000000245217 EH Annotated Anodyne CCc1cc2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)[nH]c2s1 ZINC000000245447 EH Annotated Anodyne Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(=S)[nH]c(O)c32)cc1 ZINC000000248873 EH Annotated Mild Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(=S)[nH]c(O)c32)cc1 ZINC000000248879 EH Annotated Mild CC(C)CCN(C)C1CCN(C(=O)Nc2c(F)cccc2F)CC1 ZINC000000261558 EH Annotated Anodyne O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccc(F)cc1 ZINC000000268129 EH Annotated Reactive O=C(NNC(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1sc2ccccc2c1Cl ZINC000000290491 EH Annotated Reactive Cc1nnc(SCC(=O)NC2CCCCC2)n1C1CCCCC1 ZINC000000382753 EH Annotated Anodyne CCCc1cc(-c2nn3c(-c4ccccc4)nnc3s2)n(CC)n1 ZINC000000384979 EH Annotated Anodyne Fc1ccc(Oc2cc(-n3cncn3)nc(-c3ccccc3)n2)cc1 ZINC000000384980 EH Annotated Anodyne CC(=O)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000410991 EH Annotated Anodyne CC(=O)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000412542 EH Annotated Anodyne CCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000416708 EH Annotated Anodyne Cc1ccc2c(c1)N([C@H](C)/C(O)=N/[C@@H]1CCCC[C@@H]1C)C(=O)CO2 ZINC000000423193 EH Annotated Mild CC[C@@H](C)NC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2 ZINC000000423305 EH Annotated Anodyne CC[C@H](C)NC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2 ZINC000000423306 EH Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(NCc2ccco2)s1 ZINC000000424289 EH Annotated Anodyne Sc1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)nn12 ZINC000000424899 EH Annotated Anodyne O=C1CCCN2N=C(SCc3ccccc3Cl)SC2=N1 ZINC000000425843 EH Annotated Anodyne COc1cccc(-c2cc(C(F)(F)F)nc(-n3ccnc3C)n2)c1 ZINC000000426660 EH Annotated Anodyne COc1ccc(-c2cn(-c3cccc(Br)c3)c(=O)[nH]2)cc1 ZINC000000426739 EH Annotated Anodyne CC[C@@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000000427177 EH Annotated Anodyne CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccccc1F ZINC000000427463 EH Annotated Anodyne CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccccc1F ZINC000000427464 EH Annotated Anodyne CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccccc1F ZINC000000427465 EH Annotated Anodyne CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1cccc(F)c1 ZINC000000427466 EH Annotated Anodyne CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(F)c1 ZINC000000427467 EH Annotated Anodyne CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(F)c1 ZINC000000427468 EH Annotated Anodyne Cc1cc2cc(CCNC(=O)CC3CCCCC3)c(=O)[nH]c2cc1C ZINC000000427754 EH Annotated Anodyne Cc1cccc(CN2CCN(C/C(O)=N/C3CCC(C)CC3)C2=O)c1 ZINC000000428398 EH Annotated Mild Cc1cccc(CN2CCN(C/C(O)=N/[C@H]3CCCC[C@H]3C)C2=O)c1 ZINC000000428399 EH Annotated Mild Cc1cccc(CN2CCN(C/C(O)=N/[C@@H]3CCCC[C@H]3C)C2=O)c1 ZINC000000428400 EH Annotated Mild Cc1cccc(CN2CCN(C/C(O)=N/[C@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000000428401 EH Annotated Mild Cc1cccc(CN2CCN(C/C(O)=N/[C@@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000000428402 EH Annotated Mild CC1CCC(/N=C(\O)CN2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000000428441 EH Annotated Mild Cc1cc(NC(=O)c2cccs2)nc2c1c(=O)oc1ccccc12 ZINC000000428476 EH Annotated Bother c1cnc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000000428782 EH Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)o1 ZINC000000428783 EH Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000000429166 EH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000000429167 EH Annotated Anodyne C[C@H]1CCCCN1C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 ZINC000000429573 EH Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 ZINC000000429574 EH Annotated Anodyne Cn1c(=O)c2cc(C(=O)N3CCCC3)sc2c2ccc(Cl)cc21 ZINC000000429715 EH Annotated Anodyne C[C@H](O)c1c(OCc2ccccc2)ncnc1OCc1ccccc1 ZINC000000434330 EH Annotated Anodyne C[C@@H](O)c1c(OCc2ccccc2)ncnc1OCc1ccccc1 ZINC000000434331 EH Annotated Anodyne Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccccc1 ZINC000000451831 EH Annotated Mild CCOC(=O)SC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)S1 ZINC000000466797 EH Annotated Mild Nc1nc(-c2ccc(Br)s2)c(Br)s1 ZINC000000497801 EH Annotated Anodyne COc1ccc2c(Cl)c(C(=O)n3nnc4ccccc43)sc2c1 ZINC000000499086 EH Annotated Anodyne Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Cl)c(Cl)c1 ZINC000001045837 EH Annotated Mild Cc1c(CCc2ccncc2)c(O)n2c(nc3ccccc32)c1C#N ZINC000001079057 EH Annotated Mild CC1=CCC2(C(=O)OC(C)(C)OC2=O)[C@@H](c2ccc(Cl)cc2)C1 ZINC000001093199 EH Annotated Anodyne CC1=CCC2(C(=O)OC(C)(C)OC2=O)[C@H](c2ccc(Cl)cc2)C1 ZINC000001093200 EH Annotated Anodyne CCSc1nnc2nc3c(c(O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000001250343 EH Annotated Anodyne CCSc1nnc2nc3c(c(O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000001250344 EH Annotated Anodyne Cc1ccc2c(c1)N(CC(=O)c1cccc(Cl)c1)C(=O)[C@@H](C)O2 ZINC000001328389 EH Annotated Anodyne Cc1ccc2c(c1)N(CC(=O)c1cccc(Cl)c1)C(=O)[C@H](C)O2 ZINC000001328390 EH Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C2CCCCC2)o1 ZINC000001356117 EH Annotated Anodyne C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(C2CCCCC2)o1 ZINC000001356119 EH Annotated Anodyne Clc1ccccc1Cn1nnc2c(NC3CCCCC3)ncnc21 ZINC000001361478 EH Annotated Anodyne C=CCN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1cc(C)cc(C)c1)C2 ZINC000001370299 EH Annotated Mild C=CCN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1cc(C)cc(C)c1)C2 ZINC000001370302 EH Annotated Mild CC(C)(C)c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 ZINC000001492319 EH Annotated Anodyne Cc1ccc(-n2ccnc(NCCC3=CCCCC3)c2=O)cc1F ZINC000010273155 EH Annotated Anodyne CC1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C)C2=O)C1=O ZINC000100003050 EH Annotated Mild in-vitro biogenic C=C1[C@H]2CC[C@H]3[C@](CC[C@@H]4[C@]5(C)CCC[C@@]34[C@H]3OCCN3C5)(C2)[C@H]1O ZINC000100017887 EH Annotated Mild in-vitro C=C1[C@H]2CC[C@H]3[C@](CC[C@@H]4[C@@]5(C)CCC[C@]34[C@H]3OCCN3C5)(C2)[C@H]1O ZINC000100017891 EH Annotated Mild in-vitro Cc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1F ZINC000100018331 EH Annotated Anodyne O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1cc(F)ccc12 ZINC000100018450 EH Annotated Anodyne O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1ccccc12 ZINC000100025080 EH Annotated Anodyne O=C(Nc1ccccn1)[C@H]1C(=O)N2c3ccccc3Oc3cccc1c32 ZINC000100025244 EH Annotated Anodyne C=C(O)c1ccc2n1C(=O)c1cccc(NC(=O)Nc3ccccn3)c1-2 ZINC000100047415 EH Annotated Anodyne CN(C)Cc1ccnc(-c2cccc(Nc3[nH]ccc3[N+](=O)[O-])c2)c1 ZINC000100047826 EH Annotated Bother O=C(C1CC1)[C@@H](c1ccccc1F)N1CCc2sc(O)cc2C1 ZINC000100051467 EH Annotated Anodyne in-man endogenous O=C(C1CC1)[C@H](c1ccccc1F)N1CCc2sc(O)cc2C1 ZINC000100051471 EH Annotated Anodyne in-man endogenous COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]2C=O ZINC000100077277 EH Annotated Mild in-vitro biogenic CC(C)C1=C(O)C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)C1=C2C=O ZINC000100077568 EH Annotated Reactive in-vitro biogenic CC(C)C1=C(O)C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]2C=O ZINC000100077580 EH Annotated Mild in-vitro biogenic C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cc(F)ccc2F)cc1 ZINC000100084418 EH Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)C4CCC4)C[C@@H]2N3)cc1 ZINC000100085163 EH Annotated Anodyne CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2C)cc1 ZINC000100085240 EH Annotated Anodyne COc1cccc([C@@H]2CC[C@H](NCCOc3ccccn3)CC2)c1 ZINC000100086196 EH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)C4CCC4)C[C@@H]2N3)cc1 ZINC000100086491 EH Annotated Anodyne CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccc(C)cc2)cc1 ZINC000100088080 EH Annotated Anodyne c1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)cc1 ZINC000100092408 EH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)NC2CCCCC2)cc1 ZINC000100093155 EH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2cc(F)ccc2F)cc1 ZINC000100093326 EH Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)NC(C)C)cc2)cc1 ZINC000100094023 EH Annotated Anodyne CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(C)c2)cc1 ZINC000100094317 EH Annotated Anodyne O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100094875 EH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cccc(OC)c2)cc1 ZINC000100097841 EH Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCC5)C[C@@H]3N4)cc2)c1 ZINC000100099960 EH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2cccc(OC)c2)cc1 ZINC000100101350 EH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccccc2OC)cc1 ZINC000100101453 EH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2ccccc2OC)cc1 ZINC000100101525 EH Annotated Anodyne O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100101657 EH Annotated Anodyne c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)cc1 ZINC000100101670 EH Annotated Anodyne c1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)cc1 ZINC000100101675 EH Annotated Anodyne c1ccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc1 ZINC000100106467 EH Annotated Anodyne c1ccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)cc1 ZINC000100106469 EH Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)NC(C)C)cc2)cc1 ZINC000100106934 EH Annotated Anodyne c1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)cc1 ZINC000100107479 EH Annotated Anodyne c1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)cc1 ZINC000100107482 EH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)NC2CCCCC2)cc1 ZINC000100107662 EH Annotated Anodyne CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(C)cc2)cc1 ZINC000100108136 EH Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4cocn4)C[C@@H]2N3)cc1 ZINC000100108326 EH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4cocn4)C[C@@H]2N3)cc1 ZINC000100108329 EH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCCC4)C[C@@H]2N3)cc1 ZINC000100108434 EH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCCC4)C[C@@H]2N3)cc1 ZINC000100108437 EH Annotated Anodyne CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2C)cc1 ZINC000100108580 EH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4cccc(OC)c4)C[C@@H]2N3)cc1 ZINC000100108848 EH Annotated Anodyne CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(C)c2)cc1 ZINC000100109471 EH Annotated Anodyne c1cc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCCC3)cc2)ccn1 ZINC000100112592 EH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccc(OC)cc2)cc1 ZINC000100113966 EH Annotated Anodyne c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)cc1 ZINC000100114516 EH Annotated Anodyne Cc1ccc(N/C=C2\N=C(/C=C/c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000100142753 EH Annotated Bother CCSC1=N[P@](=S)(SCC)Nc2nc3n(c21)CCC3 ZINC000100211740 EH Annotated Reactive CCOC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(F)cc1F ZINC000100249893 EH Annotated Clean C=C1CC[C@@H](C)[C@@](C)(CCC2=CC(=O)O[C@@H]2O)C/C=C\C=C\1C(=O)O ZINC000100268112 EH Annotated Mild C=C1CC[C@H](C)[C@@](C)(CCC2=CC(=O)O[C@@H]2O)C/C=C\C=C\1C(=O)O ZINC000100268116 EH Annotated Mild O=C1/C(=C/Nc2ccc(Cl)cc2)C=NN1c1cccc(Cl)n1 ZINC000100401412 EH Annotated Clean COc1ccc2c(c1)-c1nc(NC=C3C=CC(=O)C=C3)sc1CC2 ZINC000100437174 EH Annotated Mild COc1ccc2c(c1)-c1nc(N/C=C3\C=CC=CC3=O)sc1CC2 ZINC000100437191 EH Annotated Mild Cc1cc(N/C=C2\C(=O)C=Cc3cc(Br)ccc32)no1 ZINC000100437254 EH Annotated Mild O=C(O)CCCc1sccc1N/N=C1\C(=O)C=Cc2ccccc21 ZINC000100437412 EH Annotated Mild O=C1OC(c2cccc3ccccc23)=N/C1=C\NCc1ccccc1 ZINC000100438781 EH Annotated Anodyne COC1=CC=C/C(=C2\N=C(N3CCCC[C@H]3C)c3ccccc3N2)C1=O ZINC000100466527 EH Annotated Mild COC1=CC=C/C(=C2\N=C(N3CCCC[C@@H]3C)c3ccccc3N2)C1=O ZINC000100466536 EH Annotated Mild CCCCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000100479085 EH Annotated Clean C/N=c1\scc(-c2ccccc2F)n1/N=C(\C)c1cccnc1 ZINC000100483564 EH Annotated Mild O=C1C=C(OCc2ccccc2)C=C/C1=C1/NNC=C1c1ccccc1 ZINC000100492652 EH Annotated Mild O=C1Nc2cccc(Br)c2/C1=C1/Cc2ccccc2C1=O ZINC000100496025 EH Annotated Mild C=C(/C=C/c1ccco1)NCCCCNC(=O)/C=C/c1ccco1 ZINC000100505377 EH Annotated Anodyne O=C1C=Cc2oc3c(c2/C1=C/Nc1ccc(C(=O)O)cc1)CCCC3 ZINC000100536196 EH Annotated Mild O=C1C=CC=C/C1=C1\N=C(Nc2ccc(O)cc2)c2ccccc2N1 ZINC000100536338 EH Annotated Mild O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)O1)c1ccccc1 ZINC000100550541 EH Annotated Anodyne O=C(Cc1c(O)oc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000100552961 EH Annotated Anodyne COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc32)cc1Cl ZINC000100561194 EH Annotated Mild COc1cc(Cl)c(NC2=CC(=O)C(=O)c3ccccc32)c(OC)c1 ZINC000100561259 EH Annotated Mild O=C1C=CC(=C2C=C(c3ccc(O)cc3)N=C(c3ccccc3)N2)C=C1 ZINC000100564510 EH Annotated Mild CCC1=C/C(=C2/NNC(C)=C2c2ccccc2Cl)C(=O)C=C1OC ZINC000100567544 EH Annotated Mild CN(C)c1cccc(/N=C2/C=C(N3CCOCC3)CC(C)(C)C2)c1 ZINC000100570731 EH Annotated Mild CC(=O)Nc1cc(Cl)c(N/C=C2\C=CC(=O)C=C2O)cc1Cl ZINC000100572899 EH Annotated Mild O=C1C=CC=C/C1=C1\N=C(NCc2ccccc2)c2ccccc2N1 ZINC000100573000 EH Annotated Mild COc1cccc(NC2=N/C(=C3\C=CC=CC3=O)Nc3ccccc32)c1 ZINC000100573005 EH Annotated Mild CC1=Nc2ccccc2/C1=C/NNC(=O)c1cc2ccccc2cc1O ZINC000100573865 EH Annotated Reactive O=C1C(SCCc2ccccc2)=C(O)CN1Cc1ccccc1 ZINC000100603543 EH Annotated Anodyne O=C1C(SCCc2ccccc2)=C(O)CN1CCc1ccccc1 ZINC000100603550 EH Annotated Anodyne Cc1ccc(/C(O)=C2/C(=O)C(=O)O[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100607568 EH Annotated Mild Cc1ccc(/C(O)=C2/C(=O)C(=O)O[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100607572 EH Annotated Mild CCOc1ccc2c(O)cc(C3C(=O)c4ccccc4C3=O)nc2c1 ZINC000100615605 EH Annotated Clean CCCc1cc(O)n2nc(-c3cccc(Br)c3)cc2n1 ZINC000100619418 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cccc(O)c3CC[C@@H]21 ZINC000100620705 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cccc(O)c3CC[C@@H]21 ZINC000100620709 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(O)cccc3CC[C@@H]21 ZINC000100620737 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3c(O)cccc3CC[C@@H]21 ZINC000100620739 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000100620760 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000100620762 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cc(O)ccc3CC[C@H]21 ZINC000100620764 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21 ZINC000100620767 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(O)cccc3CC[C@H]21 ZINC000100620770 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3c(O)cccc3CC[C@H]21 ZINC000100620772 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cccc(O)c3CC[C@H]21 ZINC000100620775 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cccc(O)c3CC[C@H]21 ZINC000100620779 EH Annotated Anodyne O=C(c1ccc2c(n1)N=CC2)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000100620829 EH Annotated Anodyne O=C(c1ccc2c(n1)N=CC2)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000100620831 EH Annotated Anodyne O=C(c1ccc2c(c1)C=NC2)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000100620915 EH Annotated Anodyne O=C(c1ccc2c(c1)C=NC2)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000100620917 EH Annotated Anodyne N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621074 EH Annotated Mild N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621076 EH Annotated Mild N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1C2 ZINC000100621083 EH Annotated Mild O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(O)cc3C[C@@H]21 ZINC000100621115 EH Annotated Anodyne N#Cc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100621230 EH Annotated Mild COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621234 EH Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(O)ccc3C[C@@H]21 ZINC000100621239 EH Annotated Anodyne C#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621258 EH Annotated Mild Cc1cc2c(cc1O)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621332 EH Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(S)nc(O)c32)cc1 ZINC000100644697 EH Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(S)nc(O)c32)cc1 ZINC000100644699 EH Annotated Anodyne O=C1/C(=C/O)C(c2ccccc2)=NN1c1cccc(C(F)(F)F)c1 ZINC000100658199 EH Annotated Clean O=C(Nc1ccccc1)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 ZINC000100658317 EH Annotated Anodyne I[C@@]12N[C@H](Cc3ccccc31)c1ccccc12 ZINC000100660004 EH Annotated Anodyne I[C@]12N[C@@H](Cc3ccccc31)c1ccccc12 ZINC000100660011 EH Annotated Anodyne CCCc1c(C)nc2nc(NCc3ccc(C(C)C)cc3)nn2c1O ZINC000100695188 EH Annotated Anodyne OC1=C2C(=Nc3nc(O)nc(O)c3[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000100703053 EH Annotated Anodyne OC1=C2C(=Nc3nc(O)nc(O)c3[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000100703054 EH Annotated Anodyne Cn1c(SCC(=O)c2ccccc2)nc2c3ccccc3nc-2c1O ZINC000100703893 EH Annotated Anodyne CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 ZINC000100704004 EH Annotated Anodyne CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 ZINC000100704007 EH Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccncc1 ZINC000100704889 EH Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccncc1 ZINC000100704892 EH Annotated Anodyne COc1ccc(-n2c(SC)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705626 EH Annotated Anodyne Cc1cc(NC(=O)Cc2ccccc2)nc2c1c(=O)oc1ccccc12 ZINC000100711156 EH Annotated Bother CCOC1(OCC)C(C)(C)[C@@H]2c3ccccc3[C@]1(C)c1cccc[n+]12 ZINC000100714757 EH Annotated Anodyne CCOC1(OCC)C(C)(C)[C@H]2c3ccccc3[C@@]1(C)c1cccc[n+]12 ZINC000100714766 EH Annotated Anodyne CCOC1(OCC)[C@H]2c3c(O)cccc3[C@@H]([n+]3ccccc32)C1(C)C ZINC000100714998 EH Annotated Anodyne CCOC1(OCC)[C@@H]2c3c(O)cccc3[C@H]([n+]3ccccc32)C1(C)C ZINC000100715006 EH Annotated Anodyne O=S(=O)(OC1=C(c2cccc3c2NCC3)CCCC1)C(F)(F)F ZINC000100724801 EH Annotated Unstable C[C@@H]1CC=C(OS(=O)(=O)C(F)(F)F)[C@H]1c1cccc2c1NCC2 ZINC000100724810 EH Annotated Unstable CN1CC[C@@]2(c3cccc(O)c3)C/C(=N/Nc3ccccc3)C[C@H]1C2 ZINC000100725754 EH Annotated Mild Cn1cc[n+]2c1[C@@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100726746 EH Annotated Anodyne Cn1cc[n+]2c1[C@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100726747 EH Annotated Anodyne CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3ccsc32)C1(C)C ZINC000100726795 EH Annotated Anodyne CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3ccsc32)C1(C)C ZINC000100726802 EH Annotated Anodyne Ic1ccc2c(c1)[C@@H]1CN[C@@H](C2)c2ccccc21 ZINC000100740059 EH Annotated Anodyne Ic1ccc2c(c1)[C@H]1CN[C@H](C2)c2ccccc21 ZINC000100740067 EH Annotated Anodyne COc1ccc2c(c1)[C@@H]1CN[C@@H]2Cc2ccc(Br)cc21 ZINC000100740079 EH Annotated Anodyne COc1ccc2c(c1)[C@H]1CN[C@H]2Cc2ccc(Br)cc21 ZINC000100740082 EH Annotated Anodyne Cc1cccc(C)c1/N=C(/O)C/N=C(/O)C1=CC(C)(C)N([O])C1(C)C ZINC000100752427 EH Annotated Mild CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1cccc2ccccc12 ZINC000100758071 EH Annotated Mild CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 ZINC000100759094 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000100759304 EH Annotated Anodyne CC[C@@H](C)C(=O)[C@@H]1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000100772803 EH Annotated Clean in-man endogenous CC[C@H](C)C(=O)[C@@H]1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000100772806 EH Annotated Clean in-man endogenous CC[C@@H](C)C(=O)[C@H]1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000100772808 EH Annotated Clean in-man endogenous CC[C@H](C)C(=O)[C@H]1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000100772809 EH Annotated Clean in-man endogenous CC(C)C1=CC2=C[C@@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@@H]34)C2=C(O)C1=O ZINC000100774208 EH Annotated Mild in-man endogenous CC(C)C1=CC2=C[C@@H]3OC(=O)[C@]4(CCCC(C)(C)[C@@H]34)C2=C(O)C1=O ZINC000100774210 EH Annotated Mild in-man endogenous CC(C)C1=CC2=C[C@H]3OC(=O)[C@]4(CCCC(C)(C)[C@@H]34)C2=C(O)C1=O ZINC000100774211 EH Annotated Mild in-man endogenous CC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(O)=C(C(=O)C(C)C)C1=O ZINC000100777303 EH Annotated Mild in-man endogenous CC(C)=CCC1=C(O)[C@@](O)(CC=C(C)C)C(O)=C(C(=O)C(C)C)C1=O ZINC000100777305 EH Annotated Mild in-man endogenous CC1=CN([C@H]2OC(=O)[C@H]3[C@@H](CC[C@H]3C)[C@H]2C)C(=O)[C@H]2[C@H](C)CC[C@@H]12 ZINC000100782475 EH Annotated Anodyne in-man endogenous CC1=CN([C@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@H]3[C@H]2C)C(=O)[C@H]2[C@H](C)CC[C@@H]12 ZINC000100782479 EH Annotated Anodyne in-man endogenous CC1=CN([C@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@H]2[C@H](C)CC[C@@H]12 ZINC000100782484 EH Annotated Anodyne in-man endogenous CC1=CN([C@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@H]2[C@H](C)CC[C@@H]12 ZINC000100782487 EH Annotated Anodyne in-man endogenous N#C/C(C(=O)Nc1ccc(SC(F)(F)F)cc1)=C(/O)C1CC1 ZINC000100785070 EH Annotated Reactive Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1OC(F)(F)F ZINC000100785076 EH Annotated Reactive C[C@@H]1CC=C(Nc2ccc3ccccc3c2)c2ncc(C(=O)O)c(=O)n21 ZINC000100787886 EH Annotated Anodyne C[C@H]1CC=C(Nc2ccc3ccccc3c2)c2ncc(C(=O)O)c(=O)n21 ZINC000100787889 EH Annotated Anodyne CN(C)/C(=N/C(=N/c1ccccc1)N1CCOCC1)C1CCCCC1 ZINC000100793011 EH Annotated Mild CCCCCC/C(=N\C(=N\c1ccccc1)N1CCOCC1)N(C)C ZINC000100793376 EH Annotated Mild CCN(CC)CCCN(C)c1[nH]cc(C)c2nc3ccncc3c1-2 ZINC000100794007 EH Annotated Anodyne CCN(CC)CCCCNc1[nH]cc(C)c2nc3ccncc3c1-2 ZINC000100794977 EH Annotated Anodyne CCC/C=C\Cc1ccccc1C#CCC[C@H]1OC(O)=C(O)C1=O ZINC000100802125 EH Annotated Mild CCC/C=C\Cc1ccccc1C#CCC[C@@H]1OC(O)=C(O)C1=O ZINC000100802129 EH Annotated Mild C=CCc1c(O)c2cccnc2n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000100814820 EH Annotated Mild CCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000100815103 EH Annotated Anodyne CCCCc1c(O)c2cc3c(nc2n(-c2ccccc2)c1=O)CCC3 ZINC000100817487 EH Annotated Anodyne CCCCc1c(O)c2cccnc2n(-c2ccc(F)cc2F)c1=O ZINC000100819503 EH Annotated Anodyne CC1=C(C)C(=O)C([C@@H](CCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000100821474 EH Annotated Mild COC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100822429 EH Annotated Mild COC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100822432 EH Annotated Mild COC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100822884 EH Annotated Mild COC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100822886 EH Annotated Mild CC1(C)[C@H]2CC[C@@](C)(C2)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000100824692 EH Annotated Anodyne Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3CC[C@@H](O)CC3)c2c1C ZINC000100830060 EH Annotated Anodyne Cn1c(=O)c(/C(S)=N/c2ccccc2)c(O)c2cc(Cl)ccc21 ZINC000100830564 EH Annotated Mild CCC(=O)N1[C@@H]2CC[C@@H]3[C@H]1CC[C@@H]2N3C/C=C/c1cccc(Cl)c1 ZINC000100854328 EH Annotated Anodyne CCC(=O)N1[C@H]2CC[C@@H]1[C@@H]1CC[C@@H]2N1C/C=C/c1cccc(Cl)c1 ZINC000100854358 EH Annotated Anodyne CCC(=O)N1[C@H]2CC[C@H]1[C@@H]1CC[C@@H]2N1C/C=C/c1cccc(Cl)c1 ZINC000100854361 EH Annotated Anodyne CCC(=O)N1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2N1C/C=C/c1cccc(Cl)c1 ZINC000100854368 EH Annotated Anodyne Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCC[C@@H]2CN(C)C)[nH]1 ZINC000100867706 EH Annotated Anodyne Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCC[C@H]2CN(C)C)[nH]1 ZINC000100867712 EH Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3[C@@](C)(CO)CCC[C@]23C)C1=O ZINC000100879565 EH Annotated Mild CCOC(=O)CC1=N[C@@](C)(c2ccccc2)c2ccccc2CN1C ZINC000100883593 EH Annotated Anodyne CCOC(=O)CC1=N[C@](C)(c2ccccc2)c2ccccc2CN1C ZINC000100883596 EH Annotated Anodyne C=C1[C@H]2CC[C@@H]3[C@@]45CCC[C@@](C)(CN6CCO[C@@H]64)[C@H]5CC[C@]3(C2)[C@H]1O ZINC000100898343 EH Annotated Mild in-vitro C=C1[C@H]2CC[C@@H]3[C@@]45CCC[C@@](C)(CN6CCO[C@@H]64)[C@@H]5CC[C@]3(C2)[C@H]1O ZINC000100898345 EH Annotated Mild in-vitro C[C@H]1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@H]45)[C@@H]2CC[C@H]1C3 ZINC000100899162 EH Annotated Anodyne in-vitro CCN(CC)CCCNc1[nH]cc(C)c2nc3ccc(O)cc3c1-2 ZINC000100904690 EH Annotated Anodyne COc1ccc([C@@H](C)Cn2ccnc2O)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100906547 EH Annotated Anodyne COc1ccc([C@H](C)Cn2ccnc2O)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100906553 EH Annotated Anodyne COc1ccc([C@@H](C)Cn2ccnc2O)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100906556 EH Annotated Anodyne COc1ccc([C@H](C)Cn2ccnc2O)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100906559 EH Annotated Anodyne COc1ccc(Cl)cc1N1C(=O)/C(=C\N(C)C)c2ccccc21 ZINC000100918182 EH Annotated Anodyne COC1(C(=N)/C=C(\O)OCc2ccc3ccccc3c2)CCOCC1 ZINC000100934492 EH Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4ccccc4o1)C3=CC2=O ZINC000100949002 EH Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4ccccc4o1)C3=CC2=O ZINC000100949006 EH Annotated Mild CN(C)Cc1ccc(-c2ccc(Nc3[nH]ccc3[N+](=O)[O-])cc2)o1 ZINC000100963915 EH Annotated Bother CCSCCOc1cc(OC)ccc1-c1nc2cc[nH]cc-2n1 ZINC000100966076 EH Annotated Anodyne CC(=O)O[C@]1(CC#Cc2ccccc2)C=CC(=O)/C1=C/c1ccccc1 ZINC000100983029 EH Annotated Mild CC(=O)O[C@@]1(CC#Cc2ccccc2)C=CC(=O)/C1=C/c1ccccc1 ZINC000100983034 EH Annotated Mild O=[S@@]1Cc2c(nn(-c3ccc(Cl)cc3)c2O)-c2ccccc21 ZINC000100987289 EH Annotated Anodyne O=[S@]1Cc2c(nn(-c3ccc(Cl)cc3)c2O)-c2ccccc21 ZINC000100987293 EH Annotated Anodyne Cc1cc(NCCN2[C@@H]3CCC[C@@H]2CC3)nnc1-c1ccccc1O ZINC000100989456 EH Annotated Anodyne Cc1cc(NCCN2[C@H]3CCC[C@H]2CC3)nnc1-c1ccccc1O ZINC000100989468 EH Annotated Anodyne COCC/N=c1\scc(-c2cccs2)n1/N=C(\C)c1ccco1 ZINC000101004581 EH Annotated Mild COC(=O)[C@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@H]2CC[C@H]1N2 ZINC000101004819 EH Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@H]2CC[C@H]1N2 ZINC000101004822 EH Annotated Anodyne CC(C)(C)CC/N=c1/c(-c2ccc(C(F)(F)F)cc2)c(O)c1=O ZINC000101022999 EH Annotated Anodyne CCN(CC)C(=S)/N=N/c1c(O)n(CN(C)C)c2ccccc12 ZINC000101030297 EH Annotated Clean O=C1C=CC(=O)c2nc(-c3[nH]ccc4c5ccccc5nc3-4)ccc21 ZINC000101034473 EH Annotated Mild CC(C)C1=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)C1=O ZINC000101040006 EH Annotated Mild C=CCCC[C@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000101046171 EH Annotated Mild C=CCCC[C@@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000101046174 EH Annotated Mild CCCC[C@]12C[C@]1(C(=O)N(C)CC)C(=O)Nc1ccc(Cl)cc12 ZINC000101049620 EH Annotated Anodyne CCCC[C@@]12C[C@@]1(C(=O)N(C)CC)C(=O)Nc1ccc(Cl)cc12 ZINC000101049622 EH Annotated Anodyne CCOC(=O)[C@]12C[C@]1(C1CCCC1)c1cc(Cl)ccc1NC2=O ZINC000101053364 EH Annotated Anodyne CCOC(=O)[C@@]12C[C@@]1(C1CCCC1)c1cc(Cl)ccc1NC2=O ZINC000101053367 EH Annotated Anodyne N=c1c(Cc2ccccc2Cl)c[nH]c(=O)n1-c1ccc(Cl)cc1 ZINC000101055844 EH Annotated Anodyne C=CCOC(=O)[C@]12C[C@]1(CCCC)c1cc(Cl)ccc1NC2=O ZINC000101058495 EH Annotated Mild C=CCOC(=O)[C@@]12C[C@@]1(CCCC)c1cc(Cl)ccc1NC2=O ZINC000101058497 EH Annotated Mild CCCC[C@]12C[C@]1(C(=O)OCCC#N)C(=O)Nc1ccc(Cl)cc12 ZINC000101058525 EH Annotated Mild CCCC[C@@]12C[C@@]1(C(=O)OCCC#N)C(=O)Nc1ccc(Cl)cc12 ZINC000101058528 EH Annotated Mild Cc1ccc(C2=CC(NC(C)(C)Cc3ccccc3)=NCCN2)cc1 ZINC000101069721 EH Annotated Anodyne COC1=C(C)C(=O)/C(=C(O)/C=C/c2ccc(C)cc2)C(=O)C1(C)C ZINC000101083033 EH Annotated Mild COC1=C(C)C(=O)/C(=C(O)/C=C/c2ccc(F)cc2)C(=O)C1(C)C ZINC000101083148 EH Annotated Mild COC1=C(C)C(=O)/C(=C(O)/C=C/c2ccc(OC)cc2)C(=O)C1(C)C ZINC000101083224 EH Annotated Mild COC1=C(C)C(=O)/C(=C(O)/C=C/c2ccccc2OC)C(=O)C1(C)C ZINC000101083226 EH Annotated Mild Cc1cnc(CCC(=O)N[C@@H]2CC[C@@H](c3ccc(O)cc3)CC2)s1 ZINC000101096779 EH Annotated Anodyne CC(C)(Cc1ccccc1)NC1=NCCNC(c2ccccc2F)=C1 ZINC000101099196 EH Annotated Anodyne CN(C)Cc1cc(OCC[18F])ccc1Sc1ccc(F)cc1N ZINC000101107636 EH Annotated Anodyne CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCOCC1 ZINC000101109541 EH Annotated Anodyne COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)/C=C\2 ZINC000101119809 EH Annotated Anodyne CN1C[C@@H]2CC[C@@H](OCc3ccccc3)[C@@H]1CN2Cc1ccccc1 ZINC000101125629 EH Annotated Anodyne CC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C ZINC000101138345 EH Annotated Anodyne CC(=O)OC[C@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C ZINC000101138348 EH Annotated Anodyne N#C[C@@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101142427 EH Annotated Mild CCC1=C(C)C(=O)c2cc3c(c(O)c2C1=O)C(=O)C(C)=C(O)C3(C)C ZINC000101164599 EH Annotated Mild in-vivo CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000101167124 EH Annotated Anodyne CCCC[C@]12C[C@]1(C(=O)NC(C)C)C(=O)Nc1ccc(Cl)cc12 ZINC000101169703 EH Annotated Anodyne CCCC[C@@]12C[C@@]1(C(=O)NC(C)C)C(=O)Nc1ccc(Cl)cc12 ZINC000101169705 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@@H]2C(=O)C[C@@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000101170422 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@@H]2C(=O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000101170428 EH Annotated Anodyne Cc1cc(/N=C(\N[C@H]2NC=CS2)NC(C)(C)C)c2ccccc2n1 ZINC000101177123 EH Annotated Mild CC[C@H](C)OC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000101197758 EH Annotated Mild C/C(=N\C(=N\c1ccccc1)N1CCOCC1)N(C)c1ccccc1 ZINC000101200894 EH Annotated Mild CN(C)CCCNc1c2ccccc2[n+](C)c2c1oc1ccccc12 ZINC000101207570 EH Annotated Bother Clc1ccc(N2C[C@H]3C[C@H]2CN3Cc2c[nH]c3ncccc23)cc1 ZINC000101229925 EH Annotated Anodyne Cc1cc(C)n(-c2[nH]nc(N3CCCCC3)c3c4ccccc4nc2-3)n1 ZINC000101269160 EH Annotated Anodyne C[C@@H]1CCC[C@]23OO[C@@](C)(CC[C@@H]12)O[C@H]3OC(=O)Cc1ccccc1 ZINC000101270033 EH Annotated Reactive C[C@@H]1CCC[C@@]23OO[C@](C)(CC[C@@H]12)O[C@H]3OC(=O)Cc1ccccc1 ZINC000101270034 EH Annotated Reactive CCCSCc1ccccc1C#CCC[C@H]1OC(O)=C(O)C1=O ZINC000101304814 EH Annotated Mild CCCSCc1ccccc1C#CCC[C@@H]1OC(O)=C(O)C1=O ZINC000101304819 EH Annotated Mild Cc1c(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)ncn1-c1ccccc1 ZINC000101321139 EH Annotated Anodyne Cc1nc(C(=O)N[C@H]2[C@H]3C[C@H]4C[C@H]3C[C@H]2C4)c(C)n1-c1ccccc1 ZINC000101321149 EH Annotated Anodyne Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@H]4C[C@H]3C[C@H]2C4)c(C)n1-c1ccccc1 ZINC000101321153 EH Annotated Anodyne Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@@H]4C[C@@H](C3)[C@@H]2C4)c(C)n1-c1ccccc1 ZINC000101321156 EH Annotated Anodyne Cc1nc(C(=O)N[C@H]2[C@H]3C[C@@H]4C[C@@H](C3)[C@@H]2C4)c(C)n1-c1ccccc1 ZINC000101321159 EH Annotated Anodyne COc1ccc(Nc2ccc3nnn4c5ccccc5c(=O)c2c34)cc1 ZINC000101321776 EH Annotated Bother COc1ccc(-c2nc3cc[nH]cc-3n2)c(OCCCSC)c1 ZINC000101331510 EH Annotated Anodyne O=[N+]([O-])c1cc[nH]c1NCCSCc1nccc2ccccc12 ZINC000101333635 EH Annotated Bother CN(C)Cc1ccc(-c2cccc(CNc3[nH]ccc3[N+](=O)[O-])c2)o1 ZINC000101336197 EH Annotated Bother CC[C@H]1C(=O)N(CC2CCCCC2)c2sc3ccccc3[n+]2C1=O ZINC000101336228 EH Annotated Clean CC[C@@H]1C(=O)N(CC2CCCCC2)c2sc3ccccc3[n+]2C1=O ZINC000101336231 EH Annotated Clean CN(C)Cc1ccc(-c2cccc(Nc3[nH]ccc3[N+](=O)[O-])c2)o1 ZINC000101344623 EH Annotated Bother CO/C(O)=C1\C(C)=Nc2ccccc2S(=O)(=O)[C@@H]1c1ccccc1 ZINC000101348964 EH Annotated Anodyne CO/C(O)=C1\C(C)=Nc2ccccc2S(=O)(=O)[C@H]1c1ccccc1 ZINC000101348967 EH Annotated Anodyne COCc1ccc([C@@]23CC[C@H]4CCCC[C@@]4(OO2)[C@H](OC)O3)cc1 ZINC000101364146 EH Annotated Reactive O=C1Cc2ccccc2N1[C@@H]1C[C@H]2C[C@H](C1)N(Cc1ccccc1)C2 ZINC000101376227 EH Annotated Anodyne COCc1ccc([C@@]23CC[C@H]4CCCC[C@@]4(OO2)[C@@H](OC)O3)cc1 ZINC000101377279 EH Annotated Reactive N=c1c(Cc2ccccc2)c[nH]c(=O)n1-c1ccc(Cl)cc1Cl ZINC000101378126 EH Annotated Anodyne Cc1nc(C(=O)NC23C[C@H]4CC2C[C@@H](C4)C3)c(C)n1-c1ccccc1 ZINC000101393830 EH Annotated Anodyne Cc1nc(C(=O)NC23C[C@@H]4CC2C[C@H](C4)C3)c(C)n1-c1ccccc1 ZINC000101393835 EH Annotated Anodyne N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](N2CCC(F)(F)C2)CC1 ZINC000101402987 EH Annotated Anodyne N[C@H](Cc1cc(F)ccc1F)[C@@H]1CC[C@@H](N2CCC(F)(F)C2)CC1 ZINC000101402992 EH Annotated Anodyne O=c1cc(C(F)F)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12 ZINC000101404863 EH Annotated Anodyne O=C(N1CCCc2ccccc21)N1[C@H]2CC[C@@H]1C[C@H](c1cc[nH]n1)C2 ZINC000101407803 EH Annotated Anodyne O=C(N1CCCc2ccccc21)N1[C@H]2CC[C@@H]1C[C@@H](c1cc[nH]n1)C2 ZINC000101407874 EH Annotated Anodyne COC1=C(C)C(=O)/C(=C(O)/C=C/c2cccc(OC)c2)C(=O)C1(C)C ZINC000101409652 EH Annotated Mild COc1ccc(/C(O)=C/C(=O)c2cc3ccoc3cc2O)cc1OC ZINC000101418969 EH Annotated Mild Oc1c2c(nn1-c1ccccn1)CCc1cc(Br)ccc1-2 ZINC000101463436 EH Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c(O)c1)C2 ZINC000101463464 EH Annotated Clean CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1cc(O)c(O)c(O)c1)C2 ZINC000101463468 EH Annotated Clean CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 ZINC000101470082 EH Annotated Anodyne CCCCc1c(O)c2cccnc2n(-c2ccc(C(C)=O)cc2)c1=O ZINC000101473437 EH Annotated Anodyne COc1cccc(/N=C2\C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)c1 ZINC000101476063 EH Annotated Mild COc1cccc(/N=C2\C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)c1 ZINC000101476067 EH Annotated Mild O=[N+]([O-])c1ccc(-n2nc3c(c2O)CSc2ccccc2-3)cc1 ZINC000101481745 EH Annotated Bother CC1=Nc2ncnn2[C@H](c2ccco2)/C1=C(\O)OCc1ccccc1 ZINC000101483303 EH Annotated Anodyne aggregator CC1=Nc2ncnn2[C@@H](c2ccco2)/C1=C(\O)OCc1ccccc1 ZINC000101483307 EH Annotated Anodyne aggregator CN(C)c1ccc(/C=C/c2ccc(OC[C@@H](CO)C[18F])cc2)cc1 ZINC000101485480 EH Annotated Clean CN(C)c1ccc(/C=C/c2ccc(OC[C@H](CO)C[18F])cc2)cc1 ZINC000101485486 EH Annotated Clean CCOC(=O)/C(=C\Nc1cc(F)cc(F)c1)c1ccc(OC)cc1 ZINC000101491206 EH Annotated Anodyne COC(=O)C1=C(c2ccc(-c3nccs3)cc2)C[C@@H]2CC[C@@H]1O2 ZINC000101501203 EH Annotated Anodyne COC(=O)C1=C(c2ccc(-c3nccs3)cc2)C[C@H]2CC[C@H]1O2 ZINC000101501209 EH Annotated Anodyne COC(=O)C1=C(c2cccc(-c3nccs3)c2)C[C@@H]2CC[C@@H]1O2 ZINC000101501235 EH Annotated Anodyne COC(=O)C1=C(c2cccc(-c3nccs3)c2)C[C@H]2CC[C@H]1O2 ZINC000101501239 EH Annotated Anodyne CCCC1=Nc2ncnn2[C@H](c2ccc(F)cc2)/C1=C(\O)OCC ZINC000101502894 EH Annotated Anodyne CCCC1=Nc2ncnn2[C@@H](c2ccc(F)cc2)/C1=C(\O)OCC ZINC000101502898 EH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1 ZINC000101506088 EH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1 ZINC000101506091 EH Annotated Anodyne OCC/N=c1\nc(-c2cccc3ccccc23)n(-c2ccccc2)s1 ZINC000101506375 EH Annotated Anodyne OCC/N=c1\nc(-c2ccccc2)n(-c2cccc3ccccc23)s1 ZINC000101506382 EH Annotated Anodyne c1ccc2c3cc[nH]c(N4CCN(N5CCCCCC5)CC4)c-3nc2c1 ZINC000101506904 EH Annotated Anodyne C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1cccc(N)c1)N1CCN(c2ccccc2)CC1 ZINC000101511249 EH Annotated Anodyne CC1=Nc2ncnn2[C@H](c2ccco2)/C1=C(\O)OC1CCCCC1 ZINC000101515006 EH Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2ccco2)/C1=C(\O)OC1CCCCC1 ZINC000101515013 EH Annotated Anodyne CC1(C)[C@@H](NC(=O)c2c[nH]c3cc(F)ccc3c2=O)[C@]2(C)CC[C@@H]1C2 ZINC000101541268 EH Annotated Anodyne Cc1ccc(NC(=S)c2c3n(c(=O)c4ccccc24)CCN3)cc1 ZINC000101547868 EH Annotated Anodyne CN1N=C(c2ccc(F)c(F)c2)CS/C1=N\Cc1ccccc1 ZINC000101552194 EH Annotated Mild CC(C)=CCC1=C(O)C(C(=O)C(C)C)=C(O)[C@](O)(CC=C(C)C)C1=O ZINC000101569872 EH Annotated Mild O=c1oc2cc([N+](=O)[O-])ccc2nc1/C=C(O)/C=C/c1ccccc1 ZINC000101570778 EH Annotated Bother Cc1cccc(NC(=S)c2c3n(c(=O)c4ccccc24)CCN3)c1 ZINC000101578733 EH Annotated Anodyne CC(=O)N(C)C[C@@H]1C[C@@H](c2ccc(CN3CCCC3)c(Cl)c2)C1 ZINC000101589649 EH Annotated Anodyne CN(CCc1ccccc1)C(=O)c1csc2c1CCC/C2=N/O ZINC000101589755 EH Annotated Mild O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/Cc1ccc(Cl)cc1 ZINC000101605823 EH Annotated Bother O=c1c2[nH]c3ccc4ccccc4c3sc=2c(=O)c2ccccc12 ZINC000101614281 EH Annotated Bother NCCCCCCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101615244 EH Annotated Mild NCCCCCCCCCCNC1=CC(=O)c2ccccc2C1=O ZINC000101618582 EH Annotated Mild CC(=O)c1cccc(/N=C/C2=C(O)OC3(CCCCC3)OC2=O)c1 ZINC000101623158 EH Annotated Mild CC1=C2CC[C@H](C)[C@@H]3CC[C@](C)(O)[C@H](CC/C(C)=C/[C@@H]2OC1=O)O3 ZINC000101630901 EH Annotated Anodyne CC1=Nc2ncnn2[C@H](c2c[nH]c3ccccc23)/C1=C(\O)OC(C)C ZINC000101633010 EH Annotated Anodyne aggregator CC1=Nc2ncnn2[C@@H](c2c[nH]c3ccccc23)/C1=C(\O)OC(C)C ZINC000101633014 EH Annotated Anodyne aggregator C=C(C)[C@@H]1C[C@@]23C(=O)C(C(=O)C(C)C)=C(O)[C@](C)(C[C@H]2C1(C)C)C3=O ZINC000101633113 EH Annotated Mild in-vitro biogenic CC1=C[C@H]2O[C@H]3OC(=O)[C@@]4(C)CCC[C@]3([C@H]1CC(=O)c1ccoc1)[C@@H]24 ZINC000101637102 EH Annotated Anodyne COc1ccc(-c2c3cc(O)c(OC)cc3cc3c2[nH]c(=N)n3C)cc1 ZINC000101642235 EH Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(CO)o2)cc1 ZINC000101643944 EH Annotated Mild COc1ccc([C@H]2C3=C(O)CCCC3=Nc3[nH]nc(C)c32)cc1OC ZINC000101646942 EH Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3[nH]nc(C)c32)cc1OC ZINC000101646947 EH Annotated Anodyne CCOC(=O)C(/C=N/c1cc(C)ccc1-n1cccc1)=C(/O)OCC ZINC000101649242 EH Annotated Mild C=CCn1c(SC/C(O)=C(/C#N)C(C)=N)nnc1C1CCCCC1 ZINC000101666008 EH Annotated Reactive CCOc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(OC)cc1 ZINC000101674755 EH Annotated Mild Cc1cccc(/N=C2\C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)c1 ZINC000101680348 EH Annotated Mild Cc1cccc(/N=C2\C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)c1 ZINC000101680351 EH Annotated Mild [N-]=[N+]=Nc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000101682268 EH Annotated Mild OC1=C2C(=Nc3cc4c(cc3[C@H]2c2ccc(F)cc2)OCCO4)CO1 ZINC000101684212 EH Annotated Anodyne OC1=C2C(=Nc3cc4c(cc3[C@@H]2c2ccc(F)cc2)OCCO4)CO1 ZINC000101684217 EH Annotated Anodyne Cc1cccc2c1CC[C@H](Cn1cncn1)/C2=N/OCc1ccccc1 ZINC000101694978 EH Annotated Mild Cc1cccc2c1CC[C@@H](Cn1cncn1)/C2=N/OCc1ccccc1 ZINC000101694981 EH Annotated Mild CC/N=C1\Sc2nc3ccc(OCC)cc3cc2CN1CCOC ZINC000101695232 EH Annotated Mild NC(=S)/N=N/c1c(O)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000101702698 EH Annotated Clean CCOC(=O)c1c(C)[nH]c(O)c1/C=N/c1ccc(C(F)(F)F)cc1 ZINC000101705387 EH Annotated Mild C=C(C)[C@H]1C[C@@]23C(=O)C(C(=O)C(C)C)=C(O)[C@](C)(C[C@H]2C1(C)C)C3=O ZINC000101706205 EH Annotated Mild in-vitro biogenic CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1Cl ZINC000101708934 EH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1Cl ZINC000101708937 EH Annotated Anodyne CC1=C2CC[C@H](C)[C@H]3CC[C@](C)(O)[C@H](CC/C(C)=C/[C@@H]2OC1=O)O3 ZINC000101709621 EH Annotated Anodyne Cc1ccccc1/N=C1\C(Cl)=C(O)O[C@H]1OC(=O)c1ccco1 ZINC000101711229 EH Annotated Mild Cc1ccccc1/N=C1\C(Cl)=C(O)O[C@@H]1OC(=O)c1ccco1 ZINC000101711232 EH Annotated Mild Cc1ccc(/N=C2\C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)cc1 ZINC000101711706 EH Annotated Mild Cc1ccc(/N=C2\C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)cc1 ZINC000101711708 EH Annotated Mild C/C1=C/C(=O)CC2=C[C@@H](OC2=O)[C@@H](C(C)C)CC(=O)/C(C)=C/CC1 ZINC000101714096 EH Annotated Mild Oc1[nH]nc(C(F)(F)F)c1/C=N/Cc1cccc(C(F)(F)F)c1 ZINC000101715126 EH Annotated Mild Cc1ccccc1/N=C1\C(Cl)=C(O)O[C@H]1NC(=O)c1ccccc1 ZINC000101719986 EH Annotated Mild Cc1ccccc1/N=C1\C(Cl)=C(O)O[C@@H]1NC(=O)c1ccccc1 ZINC000101719989 EH Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@H](c2cccnc2)/C1=C(\O)OC(C)C ZINC000101720035 EH Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@@H](c2cccnc2)/C1=C(\O)OC(C)C ZINC000101720039 EH Annotated Mild Cn1cccc1[C@H]1C=C(c2ccc(C(C)(C)C)cc2)Nc2ncnn21 ZINC000101723195 EH Annotated Anodyne Cn1cccc1[C@@H]1C=C(c2ccc(C(C)(C)C)cc2)Nc2ncnn21 ZINC000101723200 EH Annotated Anodyne CC1(C)OC(=O)C(/N=N/c2ccc(Br)cc2)=C(O)O1 ZINC000101742052 EH Annotated Clean CC1(C)CC(=O)C=C(NCc2nnc(Nc3ccccc3)s2)C1 ZINC000101747227 EH Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/c3ccc4[nH]c(O)nc4c3)c2O)cc1 ZINC000101751939 EH Annotated Mild O=C(N[C@@H]1CCCc2ccccc21)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000101762203 EH Annotated Anodyne CCN(C[C@@H]1COc2ccccc2O1)/C(S)=N/[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101765409 EH Annotated Mild CCN(C[C@H]1COc2ccccc2O1)/C(S)=N/[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101765415 EH Annotated Mild CCc1cccc(C)c1NC(=O)CSc1nc2cc[nH]cc-2n1 ZINC000101789229 EH Annotated Anodyne Cc1ccc(/C(=N/O)N2[C@@H](C)CCC[C@H]2C)c(Oc2cccnc2)n1 ZINC000101810602 EH Annotated Mild Cc1ccc(/C(=N/O)N2[C@H](C)CCC[C@H]2C)c(Oc2cccnc2)n1 ZINC000101810607 EH Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)N3CCCCCC3)cn2)c1 ZINC000101811664 EH Annotated Mild C=CC(C)(C)c1c2c(c(OC)c3ccc(=O)oc13)[C@@H]1O[C@H]1C(C)(C)O2 ZINC000101821481 EH Annotated Mild C=CC(C)(C)c1c2c(c(OC)c3ccc(=O)oc13)[C@H]1O[C@@H]1C(C)(C)O2 ZINC000101821486 EH Annotated Mild CC1=CCC[C@H]2[C@@H](C)[C@@](C)(CC3=C(O)C(=O)C=C(N)C3=O)CC[C@]12C ZINC000101824703 EH Annotated Mild Nc1nn2c(O)c3c(nc2c1/N=N/c1ccc(Cl)cc1)CCCC3 ZINC000101830094 EH Annotated Clean COc1cc2c(cc1OC)C(/C=C(\O)c1ccc(F)cc1)=NCC2 ZINC000101846381 EH Annotated Anodyne COc1ccccc1/N=C1\C(Cl)=C(O)O[C@@H]1OC(=O)c1ccco1 ZINC000101858044 EH Annotated Mild CCOC(=O)C(/C=N/c1ccc(C(F)(F)F)cc1)=C(/O)OCC ZINC000101863249 EH Annotated Mild CC(C)=CCC/C(C)=C/CNCCN[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(O)C3 ZINC000101864971 EH Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(O)C3 ZINC000101864978 EH Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCNC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000101871264 EH Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000101871269 EH Annotated Anodyne COc1ccc(/C(O)=C(\C#N)c2nc3ccccc3n2C)cc1OC ZINC000101873218 EH Annotated Reactive COc1c(C(=O)/C=C(\O)c2ccc3c(c2)OCO3)ccc2occc12 ZINC000101878026 EH Annotated Mild COc1cc2c(cc1OC)C(/C=C(\O)c1ccccc1F)=NCC2 ZINC000101880016 EH Annotated Anodyne CC(=O)C1=C(NCCc2ccccc2)C[C@H](c2ccccc2)CC1=O ZINC000101889455 EH Annotated Mild CC(=O)C1=C(NCCc2ccccc2)C[C@@H](c2ccccc2)CC1=O ZINC000101889461 EH Annotated Mild CCCC[C@H]1C(=O)O[C@@H]2O[C@]3(CC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000101894834 EH Annotated Reactive C[C@H](Nc1c(Nc2ccc3[nH]ccc3c2)c(=O)c1=O)C1CCCCC1 ZINC000101895317 EH Annotated Anodyne C=CCn1c(O)c(/N=N/C(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000101901582 EH Annotated Mild C=CCn1c(O)c(/N=N/C(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000101901585 EH Annotated Mild CCCCN1C(=O)/C(=C/N(C(=O)CC)c2ccccc2)SC1=S ZINC000101911004 EH Annotated Clean CCOc1ccc2nc(C3C(=O)c4ccccc4C3=O)cc(O)c2c1 ZINC000101916050 EH Annotated Clean OC1=C2C(=Nc3cc4c(cc3[C@H]2c2ccc(F)cc2)OCO4)CO1 ZINC000101919312 EH Annotated Anodyne OC1=C2C(=Nc3cc4c(cc3[C@@H]2c2ccc(F)cc2)OCO4)CO1 ZINC000101919317 EH Annotated Anodyne CCCC1=Nc2ncnn2[C@H](c2sccc2C)/C1=C(\O)OCC ZINC000101963059 EH Annotated Anodyne CCCC1=Nc2ncnn2[C@@H](c2sccc2C)/C1=C(\O)OCC ZINC000101963062 EH Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](C=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000102012965 EH Annotated Mild in-vitro biogenic CCOCC1=C(c2ccc3c(c2)OCO3)Nc2cccc(OC)c2C1 ZINC000102017554 EH Annotated Anodyne O=C(O)CC1CCC2(CC1)OOC1(O2)[C@H]2CC3C[C@H]1CC(F)(C3)C2 ZINC000102030586 EH Annotated Reactive O=C(O)CC1CCC2(CC1)OOC1(O2)[C@@H]2CC3C[C@@H]1CC(F)(C3)C2 ZINC000102030601 EH Annotated Reactive Cc1ccc([S@@](N)(=O)=NC(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000102066659 EH Annotated Anodyne O=C1C(F)=C(Nc2ccccc2)C(=O)c2c(F)c(F)c(F)c(F)c21 ZINC000102067332 EH Annotated Mild CO[C@@]1(C)C[C@]23CC[C@@H]4[C@@](C)([C@H]2C=C[C@@H]1C3)[C@H](O)CC[C@@]4(C)C(=O)O ZINC000102070819 EH Annotated Anodyne CCOC(=O)c1c(O[C@H]2C[C@@H](C)C[C@@H](C)C2)c(CC)c(C)[nH]c1=O ZINC000102095411 EH Annotated Anodyne CC(=O)Nc1ccc(N2N=C(C)[C@@H](/N=N\c3ccccc3)C2=O)cc1 ZINC000102110758 EH Annotated Clean Cc1ccc(-c2cccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)c2)o1 ZINC000102166932 EH Annotated Anodyne Cc1ccc(-c2cccc(NC(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)c2)o1 ZINC000102166936 EH Annotated Anodyne O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)Nc1ccccc1 ZINC000102168005 EH Annotated Anodyne CCOC(=O)c1c(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(CC)c(C)[nH]c1=O ZINC000102180140 EH Annotated Anodyne CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1ccc2ccccc2c1 ZINC000102201534 EH Annotated Mild COC1=C(C)C(=O)/C(=C(O)/C=C/c2ccccc2C)C(=O)C1(C)C ZINC000102201848 EH Annotated Mild C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCSCC3)[C@@H]2CC/C(C)=C/CC1 ZINC000102210769 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C ZINC000102232909 EH Annotated Anodyne C/C1=C/C/C=C(\C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 ZINC000102312785 EH Annotated Mild CCn1c(O)c(/N=N\C(S)=N/C[C@@H]2CCCO2)c2ccccc21 ZINC000102318100 EH Annotated Mild CCCCCC1=C2CN[C@](CC(C)C)(C(=O)OC)C=C2[C@H](C)C1=O ZINC000102334686 EH Annotated Mild CCCCCC1=C2CN[C@@](CC(C)C)(C(=O)OC)C=C2[C@@H](C)C1=O ZINC000102334689 EH Annotated Mild O=C(O)c1ccccc1/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102343481 EH Annotated Clean Cc1ccc(/N=C2/C(Cl)=C(O)O[C@H]2NC(=O)c2ccccc2)cc1 ZINC000102375295 EH Annotated Mild Cc1ccc(/N=C2/C(Cl)=C(O)O[C@@H]2NC(=O)c2ccccc2)cc1 ZINC000102375301 EH Annotated Mild Cc1cccc(-n2nc(-c3ccccc3)c(C=O)c2/N=C/N(C)C)c1 ZINC000102394258 EH Annotated Mild C[C@]1(C(=O)CO)CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C/O)C(=O)CC[C@@H]32)C1 ZINC000102401032 EH Annotated Mild CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N\N1CCSCC1 ZINC000102402075 EH Annotated Clean COc1ccc(-n2nc(-c3ccccc3)c(C=O)c2/N=C/N(C)C)cc1 ZINC000102402131 EH Annotated Mild COc1ccc(-c2nn(-c3ccccc3)c(/N=C/N(C)C)c2C=O)cc1 ZINC000102409402 EH Annotated Mild Cc1c(/N=C/C=C(/O)c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000102430618 EH Annotated Mild CC(/C=N\Nc1n[nH]c2c3cccc(C)c3nc-2n1)=C\c1ccco1 ZINC000102437180 EH Annotated Mild Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N\c1ccc(O)cc1 ZINC000102448917 EH Annotated Clean O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1cccc2cccnc12 ZINC000102463229 EH Annotated Bother Cc1c(/N=C2/C=C(O)CC(C)(C)C2)c(=O)n(-c2ccccc2)n1C ZINC000102471985 EH Annotated Mild Cc1ccc(/N=C2/C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)cc1 ZINC000102494811 EH Annotated Mild Cc1ccc(/N=C2/C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)cc1 ZINC000102494818 EH Annotated Mild C=CCn1c(O)c(/N=N\C(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000102517027 EH Annotated Mild C=CCn1c(O)c(/N=N\C(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000102517034 EH Annotated Mild O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\C(S)=N/c3cccnc3)c2c1 ZINC000102549404 EH Annotated Mild CCCC1=Nc2ncnn2[C@H](c2ccc(F)cc2)/C1=C(/O)OCC ZINC000102566024 EH Annotated Anodyne CCCC1=Nc2ncnn2[C@@H](c2ccc(F)cc2)/C1=C(/O)OCC ZINC000102566027 EH Annotated Anodyne CC/C(=N/Cc1ccccc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000102574650 EH Annotated Mild O=C(Cn1ccc(-c2cccc(-c3ccccn3)c2)n1)N1CCCCC1 ZINC000102582629 EH Annotated Anodyne Cc1c(/N=N\c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000102589393 EH Annotated Clean O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccc2ncccc2c1 ZINC000102593751 EH Annotated Bother Cc1ccc(-c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)cc2)o1 ZINC000102605267 EH Annotated Anodyne Cc1ccc(-c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)cc2)o1 ZINC000102605271 EH Annotated Anodyne O=C(CCn1cnc2ccccc21)/N=N\c1c(O)[nH]c2ccccc12 ZINC000102634282 EH Annotated Clean CC[C@@H](C)/N=C\c1c(Nc2ccccc2)nc2c(C)cccn2c1=O ZINC000102642183 EH Annotated Mild CC[C@H](C)/N=C\c1c(Nc2ccccc2)nc2c(C)cccn2c1=O ZINC000102642185 EH Annotated Mild Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N\c1cccc(F)c1 ZINC000102642273 EH Annotated Clean COc1ccccc1/N=C1/C(Cl)=C(O)O[C@H]1OC(=O)c1ccco1 ZINC000102661012 EH Annotated Mild COc1ccccc1/N=C1/C(Cl)=C(O)O[C@@H]1OC(=O)c1ccco1 ZINC000102661015 EH Annotated Mild CCC/C(=N\OCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000102718363 EH Annotated Mild CCC/C(=N\OCC)C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000102718366 EH Annotated Mild Nc1nn2c(O)c3c(nc2c1/N=N\c1ccc(Cl)cc1)CCCC3 ZINC000102748110 EH Annotated Clean CC1(C)OC(=O)C(/N=N\c2ccc(Br)cc2)=C(O)O1 ZINC000102754188 EH Annotated Clean Cc1ccc(-c2nn(-c3ccccc3)c(/N=C/N(C)C)c2C=O)cc1 ZINC000102770371 EH Annotated Mild C/C1=C\[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@@]2(C)O[C@H]2CC1 ZINC000102827288 EH Annotated Anodyne CC1=C2CC/C(C)=C/CC[C@@]3(C)O[C@H]3CC[C@](C)(O)/C=C/2OC1=O ZINC000102827822 EH Annotated Anodyne O=c1c2c[nH]c3ccc(F)cc3c-2nn1-c1nc2ccccc2s1 ZINC000102828886 EH Annotated Anodyne O[C@@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@@H]2O[C@H]2[C@@H]1O ZINC000102842434 EH Annotated Anodyne O[C@@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@@H]2[C@@H]1O ZINC000102842438 EH Annotated Bother O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@@H]2[C@H]1O ZINC000102842451 EH Annotated Bother O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@@H]2[C@@H]1O ZINC000102842456 EH Annotated Bother O[C@@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@@H]2[C@@H]1O ZINC000102842458 EH Annotated Bother O=C(NC1CCCCC1)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000102847592 EH Annotated Anodyne O=C(Nc1ccccc1F)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000102855924 EH Annotated Anodyne CC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 ZINC000102864457 EH Annotated Clean CC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 ZINC000102864461 EH Annotated Clean CC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 ZINC000102864463 EH Annotated Clean CC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 ZINC000102864465 EH Annotated Clean CC1(C)C(c2ccc(O)cc2)=C(c2cc(O)cc(O)c2)C(C)(C)N1[O] ZINC000102897422 EH Annotated Anodyne CCC(=O)N1[C@H]2CC[C@@H]3[C@H]1CC[C@H]2N3C/C=C/c1cccc(Cl)c1 ZINC000102907886 EH Annotated Anodyne CCC(=O)N1[C@H]2CC[C@@H]3[C@H]1CC[C@@H]2N3C/C=C/c1cccc(Cl)c1 ZINC000102907887 EH Annotated Anodyne Cc1c(C(=O)/C=C(\O)c2ccccc2)nnn1Cc1cccc(F)c1 ZINC000102927954 EH Annotated Mild CCN(/C=C1/C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O)CC ZINC000102940163 EH Annotated Mild COc1cc2c(cc1OC)[C@@H]1C=N[C@@H](C2)c2cc(OC)c(OC)cc21 ZINC000102942940 EH Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C=N[C@H](C2)c2cc(OC)c(OC)cc21 ZINC000102942943 EH Annotated Anodyne CCCC[C@]1(N=[N+]=[N-])C(=O)[C@H]2C=CC=C3c4ccccc4N(C1=O)[C@@H]32 ZINC000102943198 EH Annotated Clean CC(C)=CCc1cc(C(=O)CC(=O)c2ccc(O)cc2)c(O)cc1O ZINC000102943533 EH Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 ZINC000102948767 EH Annotated Anodyne CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@H](OCc1ccccc1)[C@@H]2Br ZINC000102949057 EH Annotated Unstable Cc1[nH]c2ncn(/N=C/c3ccccc3)c(=N)c2c1Cc1ccccc1 ZINC000102965206 EH Annotated Mild C[C@]12Nc3ccccc3C1=C(c1ccccc1)C[C@H]1C(=O)OC(=O)[C@H]12 ZINC000102970237 EH Annotated Reactive CCCC[C@H](C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)C(C)C ZINC000102977862 EH Annotated Anodyne CCCC[C@@H](C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)C(C)C ZINC000102977865 EH Annotated Anodyne O=C1C=C(Nc2ccc(Br)cc2)c2ccccc2/C1=N/O ZINC000102979363 EH Annotated Mild Nc1ccc(-c2ccc(NC3=CC(=O)c4ncccc4C3=O)cc2)cc1 ZINC000102988124 EH Annotated Mild C[C@@H]1CC[C@@H](NCCc2nc(-c3cn(C)c4ccccc34)no2)CC1 ZINC000102998587 EH Annotated Anodyne O=C1C(Nc2ccc(-c3ccc(O)cc3)cc2)=CC(=O)c2ncccc21 ZINC000103006848 EH Annotated Mild Cc1cc(C)n2ncc(C(=O)N[C@@H]3CC[C@@H](C(C)(C)C)CC3)c2n1 ZINC000103020084 EH Annotated Anodyne Cc1cc(C)n2ncc(C(=O)N[C@H]3CC[C@@H](C(C)(C)C)CC3)c2n1 ZINC000103021112 EH Annotated Anodyne c1ccc(CN2CC[C@@H]3C[C@@H]2c2ccc(N4CCOCC4)cc23)cc1 ZINC000103044224 EH Annotated Clean OC1=C(/C=N\CCCCCCCC/N=C\C2=C(O)OCC2)CCO1 ZINC000103046750 EH Annotated Mild OC1=C(/C=N\CCCCCCCC/N=C/C2=C(O)OCC2)CCO1 ZINC000103046753 EH Annotated Mild OC1=C(/C=N/CCCCCCCC/N=C/C2=C(O)OCC2)CCO1 ZINC000103046757 EH Annotated Mild c1ccc(CN2CC[C@@H]3C[C@@H]2c2c3cccc2N2CCOCC2)cc1 ZINC000103053410 EH Annotated Anodyne O=c1sc2cc(CCC[18F])ccc2n1CCN1CCCCCC1 ZINC000103069520 EH Annotated Anodyne O=C(/C=C(\O)CCc1ccc(O)cc1F)CCc1ccc(O)cc1F ZINC000103077361 EH Annotated Mild Cc1ccc(NC2=C(Cl)C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000103084478 EH Annotated Mild Cc1ccccc1NC1=C(Cl)C(=O)c2c(cccc2[N+](=O)[O-])C1=O ZINC000103085678 EH Annotated Mild Cc1ccc(NC2=C(Cl)C(=O)c3c(cccc3[N+](=O)[O-])C2=O)cc1 ZINC000103086811 EH Annotated Mild Cc1cccc(NC2=C(Cl)C(=O)c3c(cccc3[N+](=O)[O-])C2=O)c1 ZINC000103092200 EH Annotated Mild Cc1cccc(NC2=C(Cl)C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000103092567 EH Annotated Mild Cc1sc2nc3[nH]c(Nc4ccc(Cl)cc4)nn3c(=O)c2c1C ZINC000103092910 EH Annotated Anodyne O=C1C=C(NCc2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 ZINC000103095392 EH Annotated Mild Cc1ccccc1NC1=C(Cl)C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000103096909 EH Annotated Mild O=c1cc(-c2ccc(C(F)(F)F)cc2)nc2[nH]c3ccccc3n12 ZINC000103151853 EH Annotated Anodyne O=C1N(c2ccccc2)c2[nH]c(=S)sc(=O)c2[C@@H]2CCCN12 ZINC000103152751 EH Annotated Anodyne O=C1N(c2ccccc2)c2[nH]c(=S)sc(=O)c2[C@H]2CCCN12 ZINC000103152753 EH Annotated Anodyne O=c1sc(=S)[nH]c2c1[C@@H]1CCCN1C(=S)N2c1ccccc1 ZINC000103152756 EH Annotated Anodyne O=c1sc(=S)[nH]c2c1[C@H]1CCCN1C(=S)N2c1ccccc1 ZINC000103152758 EH Annotated Anodyne COc1cc([C@@H]2C[C@@]3(C)O[C@H]4C(C)=CC[C@@H]3[C@H]4O2)cc(OC)c1OC ZINC000103159040 EH Annotated Anodyne CCn1c(=O)c(C(=O)/C=C/c2ccccc2C)c(O)c2ccccc21 ZINC000103159697 EH Annotated Mild N/N=C(N)/N=C1/C=C(c2ccc(F)cc2)C[C@@H](c2ccc(F)cc2)C1 ZINC000103160262 EH Annotated Mild N/N=C(N)/N=C1/C=C(c2ccc(F)cc2)C[C@H](c2ccc(F)cc2)C1 ZINC000103160265 EH Annotated Mild O=C(C1=CN(Cc2ccccc2)C=CC1)N(CCCl)CCCl ZINC000103164124 EH Annotated Reactive COc1nc2nccnc2c(NCC(C)C)c1C#Cc1ccccc1 ZINC000103167768 EH Annotated Mild Oc1ccc(C(=S)NN=C2c3ccccc3-c3ccccc32)c(O)c1 ZINC000103167868 EH Annotated Mild CCN(CC)C(=O)c1sc(C)nc1-c1ccc(OC)c(OC)c1 ZINC000103168600 EH Annotated Anodyne CCOc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000103169196 EH Annotated Mild CCOC(CN(C(=O)CCl)C(=C(C)C)c1ccccc1)OCC ZINC000103169507 EH Annotated Reactive Cc1ccc(/C=N/N(C(=O)c2ccccc2)C(=O)c2ccncc2)cc1 ZINC000103171857 EH Annotated Reactive CCO[C@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 ZINC000103173634 EH Annotated Anodyne CCO[C@@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 ZINC000103173636 EH Annotated Anodyne Cc1ccc(C(=O)N=[S@](C)(=O)Cc2sc(Cl)nc2C)cc1 ZINC000103173707 EH Annotated Anodyne Cc1ccc(C(=O)N=[S@@](C)(=O)Cc2sc(Cl)nc2C)cc1 ZINC000103173709 EH Annotated Anodyne CCc1nnc2n1N=C(c1ccc(Cl)cc1)[C@H](OC(C)C)S2 ZINC000103174251 EH Annotated Anodyne CCc1nnc2n1N=C(c1ccc(Cl)cc1)[C@@H](OC(C)C)S2 ZINC000103174254 EH Annotated Anodyne Cc1ccc(/C=N/NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000103174584 EH Annotated Reactive CCCc1nnc2sc(-c3c[nH]nc3-c3ccc(Cl)cc3)nn12 ZINC000103175589 EH Annotated Anodyne Cc1cccc2c1N(CC(=O)O)C/C(=C\c1ccccc1Cl)C2=O ZINC000103175986 EH Annotated Mild Cc1cc(C)cc(/C=C2\CN(CC(=O)O)c3c(C)cccc3C2=O)c1 ZINC000103175990 EH Annotated Mild CCCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1 ZINC000103177051 EH Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(CC(C)(C)C)nc2)c1Cl ZINC000103177053 EH Annotated Anodyne CNC(=O)[C@@H](OC)c1cccc(COc2cc(C)ccc2Cl)c1 ZINC000103177224 EH Annotated Anodyne CNC(=O)[C@H](OC)c1cccc(COc2cc(C)ccc2Cl)c1 ZINC000103177226 EH Annotated Anodyne CNC(=O)[C@@H](OC)c1cccc(COc2cc(C)cc(C)c2C)c1 ZINC000103177235 EH Annotated Anodyne CNC(=O)[C@H](OC)c1cccc(COc2cc(C)cc(C)c2C)c1 ZINC000103177237 EH Annotated Anodyne CCO[C@H](C(=O)NC)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103177240 EH Annotated Anodyne CCO[C@@H](C(=O)NC)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103177243 EH Annotated Anodyne CO[C@H](C(=O)N(C)C)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103177362 EH Annotated Anodyne CO[C@@H](C(=O)N(C)C)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103177364 EH Annotated Anodyne CCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 ZINC000103177559 EH Annotated Anodyne Cc1ccccc1-c1nc(=O)n(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000103177688 EH Annotated Anodyne O=c1nc(-c2c(F)cccc2F)on1-c1ccc(C(F)(F)F)cc1 ZINC000103177692 EH Annotated Anodyne CO/N=C(\c1ccccc1COc1cccc(C)c1)c1nccn1C ZINC000103177964 EH Annotated Mild CO/N=C(/c1nnco1)c1ccccc1COc1ccccc1Cl ZINC000103178098 EH Annotated Mild CO/N=C(/c1nnco1)c1ccccc1COc1cccc(Cl)c1 ZINC000103178102 EH Annotated Mild CO/N=C(/c1nnco1)c1ccccc1COc1ccc(Cl)cc1 ZINC000103178105 EH Annotated Mild CCCCCC/N=c1\sc(C(=O)OCC)c(N)n1-c1ccccc1 ZINC000103179536 EH Annotated Anodyne Cc1nc(C(=O)N/N=C\c2ccccc2)cc2c1[nH]c1ccccc12 ZINC000103180671 EH Annotated Reactive O=C1C=C(/N=C\c2cccc(Br)c2)c2ccccc2C1=O ZINC000103180874 EH Annotated Mild Cn1s/c(=N/c2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000103181258 EH Annotated Bother O=c1c2c(sn1-c1ccc(Br)cc1F)CCCC2 ZINC000103182078 EH Annotated Anodyne CC(=O)C[C@@H]1c2cc(Cl)ccc2N=C(n2ccnc2)N1C(C)C ZINC000103182381 EH Annotated Anodyne CC(=O)C[C@H]1c2cc(Cl)ccc2N=C(n2ccnc2)N1C(C)C ZINC000103182386 EH Annotated Anodyne Clc1ccc([C@H]2OCCc3c2noc3CBr)cc1 ZINC000103182988 EH Annotated Reactive Clc1ccc([C@@H]2OCCc3c2noc3CBr)cc1 ZINC000103182991 EH Annotated Reactive Cn1nc2c(c1C(=S)NCc1ccc(C(C)(C)C)cc1)CCC2 ZINC000103183861 EH Annotated Anodyne COc1ccccc1Nc1nc(C)nc2c1cnn2-c1ccccc1 ZINC000103183938 EH Annotated Anodyne CC[C@@]1(CCCl)SC(N2c3ccccc3OC[C@@H]2C)=NC1=O ZINC000103184068 EH Annotated Reactive CC[C@]1(CCCl)SC(N2c3ccccc3OC[C@@H]2C)=NC1=O ZINC000103184072 EH Annotated Reactive CC[C@@]1(CCCl)SC(N2c3ccccc3OC[C@H]2C)=NC1=O ZINC000103184076 EH Annotated Reactive CC[C@]1(CCCl)SC(N2c3ccccc3OC[C@H]2C)=NC1=O ZINC000103184078 EH Annotated Reactive Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)OC(C)C)c1 ZINC000103184289 EH Annotated Anodyne COc1ccc(C2=C[C@H](c3ccc(Cl)cc3)NC(=S)N2)cc1 ZINC000103184476 EH Annotated Anodyne COc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)NC(=S)N2)cc1 ZINC000103184479 EH Annotated Anodyne Ic1cccc(C2=NOCc3ccccc32)c1 ZINC000103184743 EH Annotated Anodyne CCCCOCCOCCOCc1cc2c(cc1CCC)CCO2 ZINC000103185586 EH Annotated Anodyne CCOn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=S ZINC000103186241 EH Annotated Anodyne CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)[C@@H](C)CC ZINC000103186489 EH Annotated Anodyne CC(C)C[C@@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000103186678 EH Annotated Anodyne O=c1c(-c2nnc(-c3ccc(Cl)cc3)s2)cnc2ccccn12 ZINC000103186731 EH Annotated Anodyne CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2C)cc1 ZINC000103186993 EH Annotated Bother CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 ZINC000103186996 EH Annotated Bother Clc1ccccc1[C@H]1OCCc2c1noc2CBr ZINC000103187057 EH Annotated Reactive Clc1ccccc1[C@@H]1OCCc2c1noc2CBr ZINC000103187059 EH Annotated Reactive CCCN(C(=O)COc1onc(C(F)(F)F)c1C)c1ccccc1 ZINC000103187994 EH Annotated Anodyne CCc1ccccc1N(C)C(=O)COc1onc(C(F)(F)F)c1C ZINC000103188160 EH Annotated Anodyne CCc1cccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)c1 ZINC000103188260 EH Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(CC(C)C)cc2)c1Cl ZINC000103189213 EH Annotated Anodyne CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000103189600 EH Annotated Anodyne CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccc(O)cc1 ZINC000103189622 EH Annotated Anodyne CCc1noc(OCC(=O)N(C)c2ccccc2)c1-c1ccccc1 ZINC000103189656 EH Annotated Anodyne CN(C)C1CSC(C#N)(c2cccc(Br)c2)SC1 ZINC000103189907 EH Annotated Mild CN(C)C1CSC(C#N)(c2cccc(C(F)(F)F)c2)SC1 ZINC000103189913 EH Annotated Mild Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1Cl ZINC000103189932 EH Annotated Anodyne Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1cccc(Cl)c1 ZINC000103190069 EH Annotated Anodyne CCc1ccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)cc1 ZINC000103190083 EH Annotated Anodyne N#CCc1ccc(Nc2nc(N)cc(OCC3CCCCC3)n2)cc1 ZINC000103190093 EH Annotated Mild CC/C(=C1/C(=O)N(CCCN(C)C)c2ccc(F)cc21)c1ccc[nH]1 ZINC000103190290 EH Annotated Anodyne S=c1n(-c2ccc(Br)cc2)c(=S)n2n1CCC2 ZINC000103190524 EH Annotated Anodyne CCCCCN1C(=O)[C@@]2(COc3cc(OC)ccc32)c2ccccc21 ZINC000103191003 EH Annotated Anodyne CCCCCN1C(=O)[C@]2(COc3cc(OC)ccc32)c2ccccc21 ZINC000103191004 EH Annotated Anodyne CN(C)C1CSC(C#N)(c2ccc(Br)cc2)SC1 ZINC000103191720 EH Annotated Mild COCCN(C(=O)CCl)C(=C(C)C)c1ccc(SC)cc1 ZINC000103191746 EH Annotated Reactive CN(C)C1CSC(C#N)(c2ccccc2Br)SC1 ZINC000103191833 EH Annotated Mild COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)NC(=S)N2)cc1 ZINC000103192174 EH Annotated Anodyne COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)NC(=S)N2)cc1 ZINC000103192175 EH Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1Oc1ccc(C(C)C)cc1 ZINC000103194392 EH Annotated Mild c1ccc(-n2cc(-c3nn[nH]n3)c(-c3cccc4ccccc34)n2)cc1 ZINC000103195355 EH Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1Oc1ccc(C(C)(C)C)cc1 ZINC000103196024 EH Annotated Mild Cc1nn(C)c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1Cl ZINC000103197090 EH Annotated Anodyne COc1ccccc1/C=C1/N=C(C)N(c2ccc(C(C)=O)cc2)C1=O ZINC000103197205 EH Annotated Anodyne CCOC(=O)[C@H](CC)N(C(=O)CCl)C(=C(C)C)c1ccccc1 ZINC000103198620 EH Annotated Reactive CCOC(=O)[C@@H](CC)N(C(=O)CCl)C(=C(C)C)c1ccccc1 ZINC000103198623 EH Annotated Reactive CCOC(=O)c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1N ZINC000103199692 EH Annotated Anodyne Cc1cccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)c1C ZINC000103199898 EH Annotated Anodyne Cc1ccc(C)c(N(C)C(=O)COc2onc(C(F)(F)F)c2C)c1 ZINC000103199901 EH Annotated Anodyne Cc1cccc(C)c1N(C)C(=O)COc1onc(C(F)(F)F)c1C ZINC000103199905 EH Annotated Anodyne Cc1ccc2c(c1)cc(-c1nc3cc(Cl)ccc3[nH]1)c1nnnn12 ZINC000103201593 EH Annotated Anodyne COc1ccc(-c2cc(-c3cccs3)n(N=O)c(=O)c2C#N)cc1 ZINC000103201875 EH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)/C=C/C=C/C ZINC000103202747 EH Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)/C=C/C=C/C ZINC000103202750 EH Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)/C=C/C=C/C)[C@@H]3C[C@H]12 ZINC000103202753 EH Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)/C=C/C=C/C)[C@@H]3C[C@H]12 ZINC000103202755 EH Annotated Mild Cc1ccc2[nH]c(-c3cc4cc(Cl)ccc4n4nnnc34)nc2c1 ZINC000103203052 EH Annotated Anodyne CC[C@]1(O)C[C@@](C)(C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000103204498 EH Annotated Anodyne Cc1ccc2nc(Cl)c3nnc(/N=C/c4ccc(O)cc4)n3c2c1 ZINC000103205757 EH Annotated Mild CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@]1(C)C[C@H]2N/C(=N/C#N)N1 ZINC000103205972 EH Annotated Mild COc1ccccc1-c1cc(-c2cc3ccccc3oc2=O)nc(N)n1 ZINC000103206061 EH Annotated Anodyne O=[N+]([O-])c1ccccc1SSc1n[nH]c(-c2cccnc2)n1 ZINC000103208512 EH Annotated Reactive Cc1cccc(/C=C2\CN(CC(=O)O)c3c(Cl)cccc3C2=O)c1 ZINC000103208686 EH Annotated Mild Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)cc1)CN2CC(=O)O ZINC000103208811 EH Annotated Mild C=C1COC(=O)[C@@]12C[C@H]1CC[C@@H](OC(=O)/C(C)=C\C)[C@H](C)[C@@]1(C)C2 ZINC000103210439 EH Annotated Mild CC(=O)C(=O)N(c1ccc2ccccc2c1)c1ccccc1C(=O)O ZINC000103211262 EH Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O ZINC000103212071 EH Annotated Clean O=C(Nn1c(S)nnc1-c1cccc2ccccc12)c1ccccc1 ZINC000103213726 EH Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)NCCN)CCC[C@@]4(C)C2=CC[C@@H]1C3 ZINC000103213985 EH Annotated Mild C[C@@H]1CC[C@H](NS(C)(=O)=O)CCCCCCCCCCC(=O)O1 ZINC000103215441 EH Annotated Anodyne C[C@H]1CC[C@H](NS(C)(=O)=O)CCCCCCCCCCC(=O)O1 ZINC000103215444 EH Annotated Anodyne C[C@@H]1CC[C@@H](NS(C)(=O)=O)CCCCCCCCCCC(=O)O1 ZINC000103215446 EH Annotated Anodyne C[C@H]1CC[C@@H](NS(C)(=O)=O)CCCCCCCCCCC(=O)O1 ZINC000103215450 EH Annotated Anodyne c1ccc(Cc2nnc3sc(Cc4cc5ccccc5[nH]4)nn23)cc1 ZINC000103216209 EH Annotated Anodyne CCCO[C@H]1Sc2nnc(CC)n2N=C1c1ccc(Cl)cc1 ZINC000103216654 EH Annotated Anodyne CCCO[C@@H]1Sc2nnc(CC)n2N=C1c1ccc(Cl)cc1 ZINC000103216656 EH Annotated Anodyne C=C(C)n1c(=O)n(C(=O)Cc2ccc(Cl)cc2)c2ccccc21 ZINC000103216686 EH Annotated Mild CC1(C)C[C@H](OCCn2ccnc2)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 ZINC000103216973 EH Annotated Anodyne CCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCC)C2=O ZINC000103216981 EH Annotated Bother Clc1ccccc1COc1ccc2c(c1)CCCc1nncn1-2 ZINC000103219001 EH Annotated Anodyne Cc1ccc(/C=C2\CN(CC(=O)O)c3c(Cl)cccc3C2=O)cc1 ZINC000103220831 EH Annotated Mild COC(=O)c1cccc2nc3cc(C(=O)CCCCl)ccc3nc12 ZINC000103221365 EH Annotated Reactive CCCOC(=O)c1cccc2nc3cc(N)c(OCCC)cc3nc12 ZINC000103223437 EH Annotated Bother COC(=O)c1cccc2nc3c(C(=O)CCCCl)cccc3nc12 ZINC000103223573 EH Annotated Reactive O=C1C[C@@H]2CCOc3ccc(Cl)cc3C2=NN1c1ccccc1 ZINC000103223634 EH Annotated Anodyne O=C1C[C@H]2CCOc3ccc(Cl)cc3C2=NN1c1ccccc1 ZINC000103223635 EH Annotated Anodyne CN(C)c1ccc(Nc2nc(Cl)nc3cc4c(cc23)OCO4)cc1 ZINC000103226725 EH Annotated Anodyne COc1cc(O)c2c(=O)c(-c3cccc(Br)c3)c[nH]c2c1 ZINC000103229487 EH Annotated Anodyne CCC[C@H](S)C1=CC(=C(Br)Br)OC1=O ZINC000103231553 EH Annotated Mild CCC[C@@H](S)C1=CC(=C(Br)Br)OC1=O ZINC000103231555 EH Annotated Mild CC(=O)N(C)c1ccc2c(c1)c1c(sc3ccccc31)c(=O)n2C ZINC000103231890 EH Annotated Bother O=C(c1cc(Cl)n[nH]1)N(Cc1cccc2[nH]ccc12)CC1CCC1 ZINC000103232628 EH Annotated Anodyne O=C(c1cc(C2CC2)n[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1 ZINC000103232645 EH Annotated Anodyne COc1ccc(C(=O)c2cc3cc(N)cc(OC)c3s2)cc1OC ZINC000103233949 EH Annotated Anodyne CCc1cc(C#N)ccc1Nc1c(N[C@H](C)CC(C)(C)C)c(=O)c1=O ZINC000103234060 EH Annotated Mild CCCCNC(=S)NCCc1coc2ccc3c(c12)CCCO3 ZINC000103234073 EH Annotated Anodyne CC1(C)COP(=O)([C@@](O)(CCl)c2ccc(Cl)cc2)OC1 ZINC000103235376 EH Annotated Reactive O=C(/C(=C/c1ccc(F)cc1)n1cncn1)c1ccc(F)cc1F ZINC000103237249 EH Annotated Mild Cc1ccc(/C=C(/C(=O)c2ccc(F)cc2F)n2cncn2)cc1 ZINC000103237251 EH Annotated Mild C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(c(O)cc3c2OCO3)C[C@H]1C ZINC000103237806 EH Annotated Anodyne Cc1cc(=O)c2c(o1)O[C@@]1(C)[C@@H](CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]31C)C2 ZINC000103239290 EH Annotated Anodyne CC(C)=C1CC[C@]2(C)CC[C@]3(O[C@H](C[C@@H]3C)C[C@]3(C)O[C@H]3C1=O)O2 ZINC000103241577 EH Annotated Mild CC(C)=C1CC[C@]2(C)CC[C@]3(O[C@H](C[C@H]3C)C[C@]3(C)O[C@H]3C1=O)O2 ZINC000103241579 EH Annotated Mild Cc1ccc(NC(=O)c2c(NO)cc(-c3ccccc3)oc2=O)cc1 ZINC000103241649 EH Annotated Anodyne Nc1ccc(/C=C2\COc3ccc(Br)cc3C2=O)cc1 ZINC000103242808 EH Annotated Mild CCCCCCCCN1C(=O)CCc2cc(-n3cnnc3)ccc21 ZINC000103244175 EH Annotated Mild C/C(=N\NC(=N)N)c1sc(-c2ccc(-c3ccccc3)cc2)nc1C ZINC000103245267 EH Annotated Mild C/C(=N\NC(=N)N)c1sc(-c2ccc(C(C)(C)C)cc2)nc1C ZINC000103245283 EH Annotated Mild CCCn1c(CCCc2ccccc2)nc(-c2ccncc2)cc1=O ZINC000103245687 EH Annotated Anodyne CC(C)Cn1ccnc1/C=C/C(=O)/C=C/c1nccn1CC(C)C ZINC000103248376 EH Annotated Mild COc1ccc(Cn2cc(C(=O)N(C)CC3CC3)c3ncccc32)cc1 ZINC000103248953 EH Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@H]1C(C#N)=C(N)Oc2ccccc21 ZINC000103249348 EH Annotated Reactive CC(C)OP(=O)(OC(C)C)[C@@H]1C(C#N)=C(N)Oc2ccccc21 ZINC000103249351 EH Annotated Reactive CCOc1ccc2cc(-c3nn(C(C)(C)C)cc3C(N)=O)ccc2c1 ZINC000103251503 EH Annotated Anodyne NC(=O)c1c(-c2ccc3ccccc3c2)nn(CC2CCCCC2)c1N ZINC000103252503 EH Annotated Anodyne N#Cc1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1 ZINC000103252864 EH Annotated Mild Brc1ccccc1/C=N/Nc1cnc2ccccc2n1 ZINC000103257945 EH Annotated Mild Brc1ccc(/C=N/Nc2cnc3ccccc3n2)cc1 ZINC000103257951 EH Annotated Mild O=[N+]([O-])c1cc(/C=N/Nc2cnc3ccccc3n2)ccc1Cl ZINC000103258026 EH Annotated Mild Cn1cccc1C(=O)Nc1ccc(F)c(-c2nc3ncccc3o2)c1 ZINC000103259372 EH Annotated Anodyne CN(C(=O)c1ccco1)c1ccc(F)c(-c2nc3ncccc3o2)c1 ZINC000103259384 EH Annotated Anodyne CC1=NN(c2cn3c(-c4ccc(Cl)cc4)csc3n2)C(=O)C1 ZINC000103259605 EH Annotated Anodyne COc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1C ZINC000103260540 EH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cccnc3)c3c(c2c1)NCCC3 ZINC000103261367 EH Annotated Anodyne Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC[C@H](O)C1 ZINC000103262342 EH Annotated Clean Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC[C@@H](O)C1 ZINC000103262344 EH Annotated Clean Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC(O)CC1 ZINC000103262347 EH Annotated Clean CNc1nc(NCCCN(C)C)c2sc(-c3ccccc3)cc2n1 ZINC000103263039 EH Annotated Anodyne Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1C ZINC000103266646 EH Annotated Anodyne CC(C)C[C@H]1CN(C/C=C/c2ccccc2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267066 EH Annotated Anodyne Cn1c(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc2ccccc21 ZINC000103267257 EH Annotated Mild O=C1c2cccc(O)c2C(=O)c2c(O)cc(/C=N/c3ccccc3)cc21 ZINC000103268096 EH Annotated Mild O=C(NCc1ncccc1F)c1nc2c(-c3ccccc3)cccc2[nH]1 ZINC000103268351 EH Annotated Anodyne O=C(NCC1(CO)CCCC1)c1nc2c(-c3ccccc3)cccc2[nH]1 ZINC000103268371 EH Annotated Anodyne O=C(NC1(CO)CCCCC1)c1nc2c(-c3ccccc3)cccc2[nH]1 ZINC000103268375 EH Annotated Anodyne COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000103268940 EH Annotated Anodyne COC(=O)[C@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000103268943 EH Annotated Anodyne FC(F)(F)c1ccc(Nc2nnnc3ccc(Cl)nc23)cc1 ZINC000103272004 EH Annotated Anodyne FC(F)(F)Oc1cccc(Nc2nnnc3ccc(Cl)nc23)c1 ZINC000103272006 EH Annotated Anodyne FC(F)(F)Oc1ccc(Nc2nnnc3ccc(Cl)nc23)cc1 ZINC000103272009 EH Annotated Anodyne Fc1ccc(Nc2nnnc3ccc(Cl)nc23)cc1C(F)(F)F ZINC000103272012 EH Annotated Anodyne Cc1nc2ccccc2cc1-c1nnc(-c2ccccc2C(=O)O)o1 ZINC000103272083 EH Annotated Anodyne COC(=O)c1[nH]c(-c2ccc(Cl)cc2)c(C#N)c1Br ZINC000103272179 EH Annotated Mild CCNC(=S)/N=c1/sc(C)cn1-c1cccc(C(F)(F)F)c1 ZINC000103272301 EH Annotated Anodyne Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C(C)C)s1 ZINC000103272355 EH Annotated Anodyne Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C2CC2)s1 ZINC000103272357 EH Annotated Anodyne Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)CCl)s1 ZINC000103272359 EH Annotated Reactive CC1(C)[C@H](C(=O)NCCc2csc(Cl)c2)C1(Cl)Cl ZINC000103272406 EH Annotated Anodyne CC1(C)[C@@H](C(=O)NCCc2csc(Cl)c2)C1(Cl)Cl ZINC000103272407 EH Annotated Anodyne C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@@H](C)C1)C2c1ccccc1C#N ZINC000103273048 EH Annotated Mild C[C@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)C2c1ccccc1C#N ZINC000103273050 EH Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@@H](C)C1)C2c1cccc(C#N)c1 ZINC000103273058 EH Annotated Mild C[C@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)C2c1cccc(C#N)c1 ZINC000103273060 EH Annotated Mild C=C1CC[C@@H]2[C@H]([C@@H]3[C@H]1CC[C@]3(C)O)[C@@]2(C)[C@@H](/C=C/C(C)(C)O)OC ZINC000103273726 EH Annotated Mild C=C1CC[C@@H]2[C@H]([C@@H]3[C@H]1CC[C@]3(C)O)[C@@]2(C)[C@H](/C=C/C(C)(C)O)OC ZINC000103273729 EH Annotated Mild Nn1c(Sc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000103274233 EH Annotated Anodyne O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)c3ccccc3)cc21 ZINC000103274659 EH Annotated Anodyne O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)c3ccccc3)cc21 ZINC000103274661 EH Annotated Anodyne CCCCc1cn(-c2ccc(CC[N+]3(C)CCCCC3)cc2)nn1 ZINC000103275275 EH Annotated Bother CCCCCC1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103275904 EH Annotated Mild CCC(C)(C)C1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103275986 EH Annotated Mild Cc1ccnc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)c1 ZINC000103277167 EH Annotated Anodyne Cc1cccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)n1 ZINC000103277170 EH Annotated Anodyne CC(C)[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl ZINC000103277659 EH Annotated Anodyne CC(C)[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl ZINC000103277662 EH Annotated Anodyne CCC[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl ZINC000103277672 EH Annotated Anodyne CCC[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl ZINC000103277674 EH Annotated Anodyne OCC#CCSc1cnc2ccccc2c1SCC#CCCl ZINC000103278851 EH Annotated Reactive O=C1NCCOc2ccc(OCc3c(Cl)cccc3Cl)cc21 ZINC000103280345 EH Annotated Anodyne Cc1c(CCCl)c(Cl)n2c(nc3ccc(C(=O)O)cc32)c1C#N ZINC000103281208 EH Annotated Reactive Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000103281371 EH Annotated Bother O=[N+]([O-])c1c[nH]c(-c2nnc(-c3cc4cc(Cl)ccc4[nH]3)o2)c1 ZINC000103281383 EH Annotated Bother CCC(CC)C1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103281855 EH Annotated Mild CC(C)(C)CC1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103281865 EH Annotated Mild CC[C@H]1O[C@@H]2c3ccccc3C(=O)O[C@@H]2[C@H]1OCc1ccccc1C ZINC000103281951 EH Annotated Anodyne CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccccc1C#N ZINC000103282130 EH Annotated Mild C=C/C(C)=C\CC/C(C)=C/c1cc(C(=O)N2CCN(C)CC2)co1 ZINC000103283682 EH Annotated Anodyne COC(=O)c1cnc2ccc(C#N)cc2c1NCCCc1ccccc1 ZINC000103283780 EH Annotated Mild O=C1[C@@H]([C@H](O)c2ccccc2Cl)CCCN1Cc1ccccc1 ZINC000103284582 EH Annotated Anodyne O=C1[C@H]([C@H](O)c2ccccc2Cl)CCCN1Cc1ccccc1 ZINC000103284583 EH Annotated Anodyne O=C1[C@@H]([C@@H](O)c2ccccc2Cl)CCCN1Cc1ccccc1 ZINC000103284585 EH Annotated Anodyne O=C1[C@H]([C@@H](O)c2ccccc2Cl)CCCN1Cc1ccccc1 ZINC000103284587 EH Annotated Anodyne ClCc1cccc(Cn2cnc3c(Cl)nc(Cl)nc32)c1 ZINC000103284771 EH Annotated Reactive ClCc1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1 ZINC000103286641 EH Annotated Reactive O=[N+]([O-])c1c[nH]c(-c2nnc(Cc3ccc(F)c4ccccc34)o2)c1 ZINC000103287087 EH Annotated Bother Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2cc3cc(Cl)ccc3[nH]2)o1 ZINC000103287106 EH Annotated Bother COC(=O)N1CCCC[C@]12CCC[C@@](O)(C#Cc1cccc(C)c1)C2 ZINC000103287283 EH Annotated Mild COC(=O)N1CCCC[C@]12CCC[C@](O)(C#Cc1cccc(C)c1)C2 ZINC000103287285 EH Annotated Mild COC(=O)N1CCCC[C@@]12CCC[C@@](O)(C#Cc1cccc(C)c1)C2 ZINC000103287287 EH Annotated Mild COC(=O)N1CCCC[C@@]12CCC[C@](O)(C#Cc1cccc(C)c1)C2 ZINC000103287288 EH Annotated Mild CC(=O)N1C(=O)/C(=C/c2nnc3ccccc3c2Cl)c2ccccc21 ZINC000103287348 EH Annotated Anodyne CCSc1c(C)on(C(=O)N(C)c2ccc(Cl)cc2)c1=O ZINC000103288322 EH Annotated Anodyne CC1=C[C@@H]2C[C@H]3[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@@H](C)CC[C@]13C(=O)O2 ZINC000103289189 EH Annotated Anodyne CC1=C[C@H]2C[C@H]3[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@@H](C)CC[C@]13C(=O)O2 ZINC000103289191 EH Annotated Anodyne biogenic C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000103289336 EH Annotated Anodyne O=c1[nH]cnc2c1[C@H](c1ccccc1)c1ccc3cccnc3c1O2 ZINC000103290759 EH Annotated Anodyne O=c1[nH]cnc2c1[C@@H](c1ccccc1)c1ccc3cccnc3c1O2 ZINC000103290761 EH Annotated Anodyne Nc1nc(=O)[nH]c2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103290770 EH Annotated Anodyne Nc1nc(=O)[nH]c2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103290771 EH Annotated Anodyne Nc1nc(=O)[nH]c2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000103290774 EH Annotated Anodyne Nc1nc(=O)[nH]c2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000103290776 EH Annotated Anodyne COc1cc(-c2onc3c2C(=O)c2ccccc2-3)cc(OC)c1OC ZINC000103291639 EH Annotated Anodyne O=C(CCl)n1cc(-c2ocnc2Br)c2ccccc21 ZINC000103292276 EH Annotated Reactive O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000103293959 EH Annotated Reactive CC(C)N1CC(=O)/C(=C(/O)c2cccc(Oc3ccccc3)c2)C1=O ZINC000103294707 EH Annotated Mild Oc1ccc(C(=S)N(Cc2ccccc2)c2ccccn2)c(O)c1 ZINC000103294860 EH Annotated Anodyne O=c1ccc(-c2nc3ccccc3nc2-c2ccc(Cl)cc2)n[nH]1 ZINC000103295618 EH Annotated Anodyne O=c1ccc([C@@H]2Nc3ccccc3N[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000103295633 EH Annotated Clean O=c1ccc([C@@H]2Nc3ccccc3N[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000103295635 EH Annotated Clean O=c1ccc([C@H]2Nc3ccccc3N[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000103295637 EH Annotated Clean O=c1ccc([C@H]2Nc3ccccc3N[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000103295640 EH Annotated Clean O=C1[C@@H]([C@H](O)c2cnc3ccccc3c2)CCCN1Cc1ccccc1 ZINC000103295688 EH Annotated Anodyne O=C1[C@H]([C@H](O)c2cnc3ccccc3c2)CCCN1Cc1ccccc1 ZINC000103295691 EH Annotated Anodyne O=C1[C@@H]([C@@H](O)c2cnc3ccccc3c2)CCCN1Cc1ccccc1 ZINC000103295695 EH Annotated Anodyne O=C1[C@H]([C@@H](O)c2cnc3ccccc3c2)CCCN1Cc1ccccc1 ZINC000103295698 EH Annotated Anodyne O=C1[C@@H]([C@H](O)c2ccc3ccccc3n2)CCCN1Cc1ccccc1 ZINC000103295700 EH Annotated Anodyne O=C1[C@H]([C@H](O)c2ccc3ccccc3n2)CCCN1Cc1ccccc1 ZINC000103295702 EH Annotated Anodyne O=C1[C@@H]([C@@H](O)c2ccc3ccccc3n2)CCCN1Cc1ccccc1 ZINC000103295704 EH Annotated Anodyne O=C1[C@H]([C@@H](O)c2ccc3ccccc3n2)CCCN1Cc1ccccc1 ZINC000103295706 EH Annotated Anodyne C[C@H]1C(Cl)(Cl)[C@]1(C)C(=O)NCCc1csc(Cl)c1 ZINC000103296435 EH Annotated Anodyne C[C@@H]1C(Cl)(Cl)[C@]1(C)C(=O)NCCc1csc(Cl)c1 ZINC000103296438 EH Annotated Anodyne C[C@H]1C(Cl)(Cl)[C@@]1(C)C(=O)NCCc1csc(Cl)c1 ZINC000103296440 EH Annotated Anodyne C[C@@H]1C(Cl)(Cl)[C@@]1(C)C(=O)NCCc1csc(Cl)c1 ZINC000103296442 EH Annotated Anodyne CC(C)(C)[C@H](Br)C(=O)NCCc1csc(Cl)c1 ZINC000103296516 EH Annotated Reactive CC(C)(C)[C@@H](Br)C(=O)NCCc1csc(Cl)c1 ZINC000103296520 EH Annotated Reactive CCOC(=O)CCCN1C=C2c3ccccc3CCC[C@@H]2CC1=O ZINC000103297177 EH Annotated Anodyne CCOC(=O)CCCN1C=C2c3ccccc3CCC[C@H]2CC1=O ZINC000103297180 EH Annotated Anodyne O=C1N[C@H](c2c[nH]c3ccc(Br)cc23)Nc2ccccc21 ZINC000103297240 EH Annotated Anodyne O=C1N[C@@H](c2c[nH]c3ccc(Br)cc23)Nc2ccccc21 ZINC000103297242 EH Annotated Anodyne COc1ccc(C[C@@H]2CCC[C@H](Cc3ccc(OC)cc3)N2)cc1 ZINC000103297299 EH Annotated Anodyne C=CC(=O)N1CCc2c(sc3ncnc(NC4CCCCC4)c23)C1 ZINC000103297814 EH Annotated Anodyne COc1ccc([C@H](Nc2cc(C)on2)P(=O)(OC)OC)cc1 ZINC000103299943 EH Annotated Anodyne COc1ccc([C@@H](Nc2cc(C)on2)P(=O)(OC)OC)cc1 ZINC000103299946 EH Annotated Anodyne COc1ccc([C@@H](Nc2ccccc2)P(=O)(OC)OC)cc1O ZINC000103299957 EH Annotated Anodyne COc1ccc([C@H](Nc2ccccc2)P(=O)(OC)OC)cc1O ZINC000103299960 EH Annotated Anodyne COc1ccc(Cn2cc(C[N+](C)(C)C)c3ccccc32)cc1O ZINC000103300504 EH Annotated Bother COc1cc(Cn2cc(C[N+](C)(C)C)c3ccccc32)ccc1O ZINC000103300506 EH Annotated Bother COc1ccc(Cn2cc(C[N+](C)(C)C)c3ccccc32)cc1OC ZINC000103300511 EH Annotated Bother CC[C@H](C)/C(=C\c1coc2nc(=N)[nH]c(N)c12)c1ccccc1OC ZINC000103325353 EH Annotated Anodyne CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(Cl)c1C ZINC000103333929 EH Annotated Mild COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccn1 ZINC000103351577 EH Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccn1 ZINC000103351580 EH Annotated Anodyne CCN(CC)/C(=N\S(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000103457238 EH Annotated Mild CCO/C(O)=C(\C#N)c1ncc(Br)c(-c2ccccc2)n1 ZINC000103521632 EH Annotated Reactive Cc1ccc(-c2cc(-c3ccccc3)nc(/C(C#N)=C(\N)O)n2)cc1 ZINC000103521966 EH Annotated Reactive CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000103522775 EH Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 ZINC000103522779 EH Annotated Mild Cc1nc2nn(-c3ccccc3)c(O)c2c(O)c1Cc1ccccc1 ZINC000103524119 EH Annotated Anodyne CC/N=c1\c(NC(=O)Nc2ccccc2F)c(O)oc2ccccc12 ZINC000103524197 EH Annotated Anodyne C/N=c1\c(NC(=O)Nc2ccccc2Cl)c(O)oc2ccccc12 ZINC000103524201 EH Annotated Anodyne CC1(C)C[C@H](c2cc(O)n3nc(-c4cccs4)cc3n2)CCO1 ZINC000103525072 EH Annotated Anodyne CC1(C)C[C@@H](c2cc(O)n3nc(-c4cccs4)cc3n2)CCO1 ZINC000103525075 EH Annotated Anodyne CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/Cc1ccco1 ZINC000103530469 EH Annotated Mild CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/CCCOCC ZINC000103530534 EH Annotated Mild COc1nc(N)c2c(c1C#N)N=C1CCCC(O)=C1[C@H]2c1ccccc1 ZINC000103530748 EH Annotated Mild COc1nc(N)c2c(c1C#N)N=C1CCCC(O)=C1[C@@H]2c1ccccc1 ZINC000103530753 EH Annotated Mild CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1C ZINC000103531675 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1C ZINC000103531679 EH Annotated Anodyne CN(CCCn1cnc2c3ccccc3nc-2c1O)C1CCCCC1 ZINC000103533761 EH Annotated Anodyne CCCSCCCn1cnc2c3cc(OC)ccc3nc-2c1O ZINC000103533799 EH Annotated Anodyne CCCN(CCC)CCCn1cnc2c3cc(F)ccc3nc-2c1O ZINC000103533964 EH Annotated Anodyne CC1(C)CC2=Nc3nnnn3[C@@H](c3ccccc3Cl)C2=C(O)C1 ZINC000103538531 EH Annotated Anodyne CC1(C)CC2=Nc3nnnn3[C@H](c3ccccc3Cl)C2=C(O)C1 ZINC000103538538 EH Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000103538613 EH Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000103538619 EH Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(OC(F)F)cc2)CCC1 ZINC000103538685 EH Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(OC(F)F)cc2)CCC1 ZINC000103538690 EH Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 ZINC000103539263 EH Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 ZINC000103539267 EH Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(SC)cc1 ZINC000103539273 EH Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(SC)cc1 ZINC000103539278 EH Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2OC(F)F)CCC1 ZINC000103539592 EH Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2OC(F)F)CCC1 ZINC000103539596 EH Annotated Anodyne CCO/C(O)=C(\C=N\C1CC1)C(=O)c1cc(F)c(F)cc1Cl ZINC000103541480 EH Annotated Mild CCc1cc2c(s1)-[n+]1c(n[nH]c1C)CN=C2c1ccccc1Cl ZINC000103544273 EH Annotated Anodyne CC(C)=CCOc1ccc([C@@H]2C(=O)N(O)C(=O)[C@@H]2CC(C)C)cc1 ZINC000103557563 EH Annotated Anodyne in-vitro biogenic O=[N+]([O-])c1cc(-c2n[nH]c(O)c2C2=NCCC2)c(Cl)cc1Cl ZINC000103571378 EH Annotated Bother CO[C@@H]1C=C(O)[C@@H]2[C@@H]3[C@H]4CC[C@@]56CCC[C@@H]5C=CC[C@@](C4)([C@]21O)[C@]36C ZINC000103575427 EH Annotated Anodyne in-vitro biogenic CO[C@H]1C=C(O)[C@@H]2[C@@H]3C[C@H]4CC[C@@]56CCC[C@@H]5C=CC[C@@]4([C@@]12O)[C@]36C ZINC000103575434 EH Annotated Anodyne in-vitro biogenic Cc1ccc(Cn2[nH]cc3nc(-c4ccc(-n5ccnc5)cc4)nc2-3)o1 ZINC000103584472 EH Annotated Anodyne CC(C)[C@@H](C)n1[nH]cc2nc(-c3cccn3-c3nccs3)nc1-2 ZINC000103584929 EH Annotated Anodyne CC(C)[C@H](C)n1[nH]cc2nc(-c3cccn3-c3nccs3)nc1-2 ZINC000103584932 EH Annotated Anodyne C=CCn1cc(-c2nc3c[nH]n([C@@H](C)c4ccccc4)c-3n2)c(C)n1 ZINC000103585900 EH Annotated Mild C=CCn1cc(-c2nc3c[nH]n([C@H](C)c4ccccc4)c-3n2)c(C)n1 ZINC000103585903 EH Annotated Mild COc1ccc(F)cc1-c1nc2c(C)[nH]n(Cc3ccccc3)c-2n1 ZINC000103586018 EH Annotated Anodyne CCCn1[nH]cc2nc(-c3cnc(-c4ccccc4OC)s3)nc1-2 ZINC000103586190 EH Annotated Anodyne CN1CCC(n2[nH]cc3nc(-c4ccc5ccccc5c4)nc2-3)CC1 ZINC000103586556 EH Annotated Anodyne Cc1nn(C)c(Cl)c1-c1nc2c(C)[nH]n(C3CCCCC3)c-2n1 ZINC000103587536 EH Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCCn2cnc3c4ccccc4nc-3c2O)C1 ZINC000103591777 EH Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCn2cnc3c4ccccc4nc-3c2O)C1 ZINC000103591781 EH Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCn2cnc3c4ccccc4nc-3c2O)C1 ZINC000103591786 EH Annotated Anodyne C=CCn1ncc(-c2nc3c(C)[nH]n(-c4ccc(C)cc4)c-3n2)c1C ZINC000103593429 EH Annotated Mild Cn1[nH]c(-c2cccnc2)c2nc(-c3c[nH]nc3C3CCCCC3)nc1-2 ZINC000103593620 EH Annotated Anodyne Cn1[nH]c(C2CC2)c2nc(-c3cnn(-c4ccccc4Cl)c3)nc1-2 ZINC000103593706 EH Annotated Anodyne c1cc(-c2nc3c[nH]n(Cc4cccs4)c-3n2)cc(-n2cccn2)c1 ZINC000103594597 EH Annotated Anodyne Cn1[nH]c(C(C)(C)C)c2nc(-c3ccc(-c4csnn4)cc3)nc1-2 ZINC000103595303 EH Annotated Anodyne CC1(C)CC(=O)C(=C2C(=O)c3ccccc3C(O)=C2Cl)C(=O)C1 ZINC000103627410 EH Annotated Mild OC1=C2C(=Nc3nnnn3[C@@H]2c2c(Cl)cccc2Cl)CCC1 ZINC000103627749 EH Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@H]2c2c(Cl)cccc2Cl)CCC1 ZINC000103627754 EH Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@@H]2c2cccc(Cl)c2Cl)CCC1 ZINC000103627853 EH Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@H]2c2cccc(Cl)c2Cl)CCC1 ZINC000103627857 EH Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@@H]2c2ccc(Cl)cc2Cl)CCC1 ZINC000103627975 EH Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@H]2c2ccc(Cl)cc2Cl)CCC1 ZINC000103627980 EH Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000103628074 EH Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000103628079 EH Annotated Anodyne C/N=c1\c(/N=C(\O)Nc2ccc(Cl)cc2)c(O)oc2ccccc12 ZINC000103632385 EH Annotated Anodyne CC/N=c1\c(N/C(O)=N/Cc2ccccc2)c(O)oc2ccccc12 ZINC000103632598 EH Annotated Mild C/N=c1\c(N/C(O)=N/c2cccc(Cl)c2)c(O)oc2ccccc12 ZINC000103632642 EH Annotated Anodyne C/N=c1\c(N/C(O)=N/c2ccc(F)cc2F)c(O)oc2ccccc12 ZINC000103632647 EH Annotated Mild CC/N=c1\c(/N=C(\O)Nc2ccc(F)cc2)c(O)oc2ccccc12 ZINC000103632927 EH Annotated Mild C=C(C)COC1=CC(=O)/C(=C2/NC=NC=C2c2ccccc2OC)C=C1 ZINC000103658364 EH Annotated Mild C=C(C)COC1=CC(=O)/C(=C2/NC=NC=C2c2ccc(OC)cc2)C=C1 ZINC000103658389 EH Annotated Mild CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 ZINC000103666536 EH Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 ZINC000103666539 EH Annotated Anodyne CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccc(F)cc1 ZINC000103669569 EH Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccc(F)cc1 ZINC000103669577 EH Annotated Anodyne CCCCSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1 ZINC000103693827 EH Annotated Anodyne CCCCSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 ZINC000103693918 EH Annotated Anodyne COc1ccc(Cc2[nH]n3c(=O)cc(C)nc3c2-c2ccccc2)cc1 ZINC000103851345 EH Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H](OC)c1ccccc1Br ZINC000103853308 EH Annotated Anodyne Cc1ccc(C(=O)CSc2n[nH]c3c4ccccc4nc-3n2)cc1 ZINC000103877182 EH Annotated Anodyne CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(O)CCCC1=N2 ZINC000103894504 EH Annotated Anodyne CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(O)CCCC1=N2 ZINC000103894508 EH Annotated Anodyne CCc1ccccc1NC(=O)[C@@H](CC)Sc1nc2cc[nH]cc-2n1 ZINC000103901112 EH Annotated Anodyne CCc1ccccc1NC(=O)[C@H](CC)Sc1nc2cc[nH]cc-2n1 ZINC000103901116 EH Annotated Anodyne CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccccc1C ZINC000103901343 EH Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccccc1C ZINC000103901344 EH Annotated Anodyne Cc1c(Cl)cccc1NC(=O)CSc1nc2cc[nH]cc-2n1 ZINC000103901642 EH Annotated Anodyne CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(SC#N)cc1 ZINC000103906240 EH Annotated Reactive OC1=C2C(=Nc3nc(S)nc(O)c3[C@H]2c2cccc(F)c2)CCC1 ZINC000103909470 EH Annotated Anodyne OC1=C2C(=Nc3nc(S)nc(O)c3[C@@H]2c2cccc(F)c2)CCC1 ZINC000103909472 EH Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccnc1 ZINC000103910595 EH Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccnc1 ZINC000103910598 EH Annotated Anodyne O=c1c2c(C(F)(F)F)cc(C(F)(F)F)nc2[nH]n1-c1ccccc1 ZINC000103914447 EH Annotated Anodyne O=C1C(Cl)=CC(Cl)=C/C1=C1/C[C@H](c2ccc(Cl)cc2)NN1 ZINC000103917547 EH Annotated Mild O=C1C(Cl)=CC(Cl)=C/C1=C1/C[C@@H](c2ccc(Cl)cc2)NN1 ZINC000103917553 EH Annotated Mild O=C1C=CC=C/C1=C1\N=C(Nc2ccccc2O)c2ccccc2N1 ZINC000103917902 EH Annotated Mild COc1cccc(OC2=N/C(=C3\C=CC=CC3=O)Nc3ccccc32)c1 ZINC000103918117 EH Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(F)ccc1F ZINC000103921226 EH Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(F)ccc1F ZINC000103921231 EH Annotated Mild CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@H]1c1ccccc1 ZINC000103948066 EH Annotated Anodyne OC1=C2C(=NC(=S)N[C@@H]2c2cccc(Br)c2)CCC1 ZINC000103949046 EH Annotated Anodyne OC1=C2C(=NC(=S)N[C@H]2c2cccc(Br)c2)CCC1 ZINC000103949049 EH Annotated Anodyne OC1=C2C(=NC(=S)N[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000103949583 EH Annotated Anodyne OC1=C2C(=NC(=S)N[C@H]2c2ccc(Br)cc2)CCC1 ZINC000103949588 EH Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccccn1 ZINC000103960199 EH Annotated Clean COc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(C)cc23)cc1 ZINC000103960741 EH Annotated Clean COc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(F)cc12 ZINC000103960777 EH Annotated Clean COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1 ZINC000103960831 EH Annotated Clean OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000103964052 EH Annotated Anodyne OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(Br)cc2)CCC1 ZINC000103964058 EH Annotated Anodyne Cc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1 ZINC000103966453 EH Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@H]2CCCC[C@H]12 ZINC000103968152 EH Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@H]2CCCC[C@@H]12 ZINC000103968156 EH Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@@H]2CCCC[C@@H]12 ZINC000103968162 EH Annotated Clean C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1Cl ZINC000103970939 EH Annotated Anodyne C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1Cl ZINC000103970943 EH Annotated Anodyne CO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 ZINC000103993694 EH Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 ZINC000103993699 EH Annotated Mild COCCC/N=C1\C(=O)N(C)c2cccc3c(O)c4ccccc4c1c23 ZINC000103994853 EH Annotated Mild O=C(O[C@H]1OC(O)=C(Cl)/C1=N/c1ccccc1O)c1ccccc1 ZINC000103999974 EH Annotated Mild O=C(O[C@@H]1OC(O)=C(Cl)/C1=N/c1ccccc1O)c1ccccc1 ZINC000103999977 EH Annotated Mild CCC1=C/C(=C(/Cc2ccccn2)NNc2ccccc2)C(=O)C=C1O ZINC000104000262 EH Annotated Mild COc1ccc(CCN/C(C)=C2\C=C(C)C(C)=CC2=O)cc1OC ZINC000104001845 EH Annotated Mild O=C1C=CC(=C2C[C@H](c3ccccc3)N(C(=O)c3cccs3)N2)C=C1 ZINC000104005749 EH Annotated Mild O=C1C=CC(=C2C[C@@H](c3ccccc3)N(C(=O)c3cccs3)N2)C=C1 ZINC000104005753 EH Annotated Mild CC(=O)O[C@@H]1CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)NO1 ZINC000104005920 EH Annotated Mild CC(=O)O[C@H]1CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)NO1 ZINC000104005924 EH Annotated Mild O=C1C=CC=C/C1=C1/C[C@H](c2ccccc2)N[C@H](c2ccccc2)N1 ZINC000104006519 EH Annotated Mild O=C1C=CC=C/C1=C1/C[C@@H](c2ccccc2)N[C@H](c2ccccc2)N1 ZINC000104006523 EH Annotated Mild O=C1C=CC=C/C1=C1/C[C@H](c2ccccc2)N[C@@H](c2ccccc2)N1 ZINC000104006527 EH Annotated Mild O=C1C=CC=C/C1=C1/C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)N1 ZINC000104006531 EH Annotated Mild O=NC1=C2NN(c3ccc(Cl)cc3Cl)NC2=C(N=O)CC1 ZINC000104007434 EH Annotated Anodyne O=C1C=CC=C/C1=C1/C[C@H](c2ccccc2)N(C(=O)c2ccccc2)N1 ZINC000104014004 EH Annotated Mild O=C1C=CC=C/C1=C1/C[C@@H](c2ccccc2)N(C(=O)c2ccccc2)N1 ZINC000104014009 EH Annotated Mild COc1ccccc1NC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21 ZINC000104015085 EH Annotated Mild CCCc1ccc(OC2=C(C)NN/C2=C2\C=CC(=O)C(C)=C2O)cc1 ZINC000104015594 EH Annotated Mild COc1ccc(NC2=N/C(=C3\C=CC=CC3=O)Nc3ccccc32)cc1 ZINC000104016168 EH Annotated Mild O=C1C=CC(=C2NC(=O)c3c(-c4cccs4)csc3N2)C=C1 ZINC000104018749 EH Annotated Mild COC1=CC(=O)/C(=C2\NC(C)=NC=C2c2ccc(Cl)cc2)C=C1 ZINC000104019979 EH Annotated Mild COc1cccc(/N=C2/C(Cl)=C(O)O[C@H]2OC(=O)c2ccco2)c1 ZINC000104020153 EH Annotated Mild COc1cccc(/N=C2/C(Cl)=C(O)O[C@@H]2OC(=O)c2ccco2)c1 ZINC000104020160 EH Annotated Mild CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)N(c2ccccc2)N1 ZINC000104021194 EH Annotated Clean Cc1c(N/C=C2/C=CC(=O)C(Br)=C2)cccc1[N+](=O)[O-] ZINC000104026390 EH Annotated Mild CC1=Nc2ccccc2/C1=C/NNC(=O)c1cc(-c2cccs2)[nH]n1 ZINC000104027391 EH Annotated Reactive O=C1C=CC=C/C1=C1\C=C(C(F)(F)C(F)F)NC(c2ccccc2)=N1 ZINC000104030586 EH Annotated Mild COC1=CC=C/C(=C\Nc2ccccc2C(=O)Nc2ccccc2)C1=O ZINC000104031270 EH Annotated Mild COc1ccc(N2C(SC)=NN/C2=C2\C=Nc3ccccc32)cc1 ZINC000104037083 EH Annotated Anodyne COc1cccc(N2C(SC)=NN/C2=C2\C=Nc3ccccc32)c1 ZINC000104037149 EH Annotated Anodyne CCN1C(SCc2cccnc2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104037280 EH Annotated Anodyne O=C1[C@@H]2CCCN2[C@H](c2ccccc2F)N1c1cccc(Cl)c1 ZINC000104041311 EH Annotated Anodyne O=C1[C@@H]2CCCN2[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000104043928 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1F ZINC000104059854 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1F ZINC000104059857 EH Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(C)cc1 ZINC000104061107 EH Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(C)cc1 ZINC000104061111 EH Annotated Anodyne NC(=O)NN=C1[C@@H]2CCC[C@@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000104065421 EH Annotated Reactive CCO/C(O)=C1/C(CC)=NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000104071013 EH Annotated Mild CCO/C(O)=C1/C(CC)=NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000104071017 EH Annotated Mild CCO/C(O)=C1/C(CC)=NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 ZINC000104071381 EH Annotated Mild CCO/C(O)=C1/C(CC)=NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 ZINC000104071386 EH Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000104076079 EH Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000104076081 EH Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 ZINC000104076102 EH Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 ZINC000104076107 EH Annotated Mild CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3ccccc3)C2=C(O)C1 ZINC000104082757 EH Annotated Anodyne CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccccc3)C2=C(O)C1 ZINC000104082760 EH Annotated Anodyne CC[C@@H](C)Sc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1 ZINC000104088399 EH Annotated Anodyne CC[C@H](C)Sc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1 ZINC000104088404 EH Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@@H]1c1cccs1 ZINC000104110892 EH Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@H]1c1cccs1 ZINC000104110898 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(C)cc1 ZINC000104115507 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000104115512 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(F)c1 ZINC000104115571 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(F)c1 ZINC000104115573 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(F)cc1 ZINC000104115614 EH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(F)cc1 ZINC000104115619 EH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Cl)cc1 ZINC000104115732 EH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Cl)cc1 ZINC000104115737 EH Annotated Anodyne c1ccc(CN2CC[C@@H]3C[C@H]2c2ccc(N4CCOCC4)cc23)cc1 ZINC000104158926 EH Annotated Clean O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 ZINC000104194514 EH Annotated Clean O=C1CS[C@@H](c2ccccc2)N1CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000104194724 EH Annotated Anodyne O=C1[C@@H]2CCCN2[C@H](c2ccncc2)N1c1ccc(Cl)c(Cl)c1 ZINC000104198644 EH Annotated Anodyne O=C1[C@@H]2CCCN2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000104204129 EH Annotated Anodyne O=C1[C@@H]2CCCN2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccccn1 ZINC000104206796 EH Annotated Anodyne CC(C)C1=CC2=C[C@@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)C2=C(O)C1=O ZINC000104354204 EH Annotated Mild in-man COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1/C=C/2 ZINC000104610033 EH Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(CC/C=C(/C)CC[C@@H]12)C(=O)O3 ZINC000104663069 EH Annotated Mild CC(=O)Nc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1 ZINC000104689819 EH Annotated Mild CC(=O)Nc1cccc(/N=C/c2c(C)nn(-c3ccc(C)cc3)c2O)c1 ZINC000104690682 EH Annotated Mild COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 ZINC000104691681 EH Annotated Anodyne Cc1cc(O)ccc1/N=C/c1c(C)nn(-c2ccc(F)cc2)c1O ZINC000104695434 EH Annotated Mild CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000104703605 EH Annotated Clean CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000104703609 EH Annotated Clean Cc1ccc(-n2nc(C)c(/C=N/c3c(C)nn(C)c3C)c2O)c(C)c1 ZINC000104704022 EH Annotated Mild CCn1nc(C)c(/N=C/c2c(C)nn(-c3ccc(F)cc3)c2O)c1C ZINC000104704340 EH Annotated Mild Cc1nc2cc(/N=C/c3c(C)nn(-c4ccc(F)cc4)c3O)ccc2[nH]1 ZINC000104705309 EH Annotated Mild CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H]2C(=O)O ZINC000104707636 EH Annotated Anodyne CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H]2C(=O)O ZINC000104707640 EH Annotated Anodyne c1ccc2[nH]c(CSc3n[nH]c4c5ccccc5nc-4n3)nc2c1 ZINC000104997073 EH Annotated Anodyne C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](CO)CCO ZINC000105127502 EH Annotated Mild C=C[C@](C)(O)/C=C/C=C(\C)[C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C ZINC000105377903 EH Annotated Mild CCCCCCNC(=O)[C@H](C)[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2[C@H]1O ZINC000105477439 EH Annotated Mild C[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000105481257 EH Annotated Anodyne C[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000105481260 EH Annotated Anodyne C[C@]12Nc3ccccc3C1=C(c1ccccc1)C[C@@H]1C(=O)OC(=O)[C@H]12 ZINC000105491773 EH Annotated Reactive O=C1[C@@H]2CC[C@H](C2)[C@@]12C[C@]1(c3ccccc3)C(=O)c3ccccc3N1O2 ZINC000105507694 EH Annotated Anodyne COc1ccccc1N1[C@H](Cl)C(=O)[C@H]1c1c[nH]c2ccccc12 ZINC000105508251 EH Annotated Reactive COc1cccc(N2[C@H](Cl)C(=O)[C@H]2c2c[nH]c3ccccc23)c1 ZINC000105508255 EH Annotated Reactive COc1ccc(N2[C@H](Cl)C(=O)[C@H]2c2c[nH]c3ccccc23)cc1 ZINC000105508261 EH Annotated Reactive N[C@H](CCCCC[P@](=O)(c1ccccc1)[C@@H]1C=CC=CC1)C(=O)O ZINC000105525144 EH Annotated Anodyne CC(C)=CCC[C@H](C)C1=CC[C@](C)(O)[C@@H]1CC1=C(O)CC[C@H](O)C1=O ZINC000105567360 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)CC[C@H](C(C)=O)[C@@H](O)C[C@@H]12 ZINC000105571626 EH Annotated Mild CC1=C[C@H]2C3=C(OC(C)(C)[C@H]2CC1)C(=O)c1c(O)cc(O)cc1C3=O ZINC000105571750 EH Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C[C@@H](O)[C@@H]3C(C)(C)CCC[C@]23C)C1=O ZINC000108267036 EH Annotated Mild COc1ccc(CNC(=O)/C(C#N)=C/c2cc3ccccc3o2)cc1 ZINC000011297126 EH Annotated Reactive COc1ccc(C(=O)Cc2ccccc2Cl)n2nc(C3CC3)nc12 ZINC000113276263 EH Annotated Anodyne COc1cc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)ccc1Cl ZINC000113410687 EH Annotated Mild COc1cc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)ccc1Cl ZINC000113410689 EH Annotated Mild C=CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(OCC)cc2)cc1 ZINC000113410799 EH Annotated Mild C=CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(OCC)cc2)cc1 ZINC000113410802 EH Annotated Mild CC(=O)NC(C)(C)c1ccc(C#Cc2ccnc(OC(C)C)c2)cc1 ZINC000113412190 EH Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(-c3cnco3)cc2)cc1 ZINC000113412594 EH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(-c3cnco3)cc2)cc1 ZINC000113412597 EH Annotated Mild CCc1cccc2nc(CSc3nc(-c4ccccc4)cn3C)nn12 ZINC000113419826 EH Annotated Anodyne Cn1cc(-c2ccc(F)cc2)nc1CSc1nc2ccccn2n1 ZINC000113420073 EH Annotated Anodyne Cc1cc(C)n2cc(CCc3nc(-c4ccccc4)cn3C)nc2n1 ZINC000113420740 EH Annotated Anodyne Cc1cc(C)c2nc(CCc3nc(-c4ccccc4)cn3C)nn2c1 ZINC000113420745 EH Annotated Anodyne Cn1cc(-c2ccccc2)nc1SCc1cn2ccc(C#N)cc2n1 ZINC000113421326 EH Annotated Anodyne Cc1cc(C)n2cc(/C=C\c3nc(-c4ccccc4)cn3C)nc2n1 ZINC000113421985 EH Annotated Anodyne Cn1cc(-c2cccc(F)c2)nc1CSc1nc2ccccn2n1 ZINC000113422190 EH Annotated Anodyne Cc1ccn2nc(SCc3nc(-c4ccccc4)cn3C)nc2c1 ZINC000113422619 EH Annotated Anodyne CCc1ccc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12 ZINC000113424235 EH Annotated Anodyne CCn1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1 ZINC000113425323 EH Annotated Anodyne O=C1NC(=S)[C@H](c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1 ZINC000113894479 EH Annotated Anodyne O=C1NC(=S)[C@@H](c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1 ZINC000113894481 EH Annotated Anodyne Nc1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c1-c1nc2ccccc2s1 ZINC000114399191 EH Annotated Bother COc1cc2sc(-c3c(-c4ccco4)n[nH]c3N)nc2cc1F ZINC000114400309 EH Annotated Anodyne CNc1ccc(-c2ccc3c(c2)CNC[C@H]3c2ccc(F)cc2)nn1 ZINC000114505556 EH Annotated Anodyne CNc1ccc(-c2ccc3c(c2)CNC[C@@H]3c2ccc(F)cc2)nn1 ZINC000114505557 EH Annotated Anodyne Nc1ccc(-c2ccc3c(c2)CNC[C@H]3c2ccc(Cl)cc2)nn1 ZINC000114514836 EH Annotated Anodyne Nc1ccc(-c2ccc3c(c2)CNC[C@@H]3c2ccc(Cl)cc2)nn1 ZINC000114514838 EH Annotated Anodyne CC(C)n1cc(-c2n[nH]c3ccnc(O[C@@H](C)C(F)(F)F)c23)cn1 ZINC000114756279 EH Annotated Anodyne CC(C)n1cc(-c2n[nH]c3ccnc(O[C@H](C)C(F)(F)F)c23)cn1 ZINC000114756281 EH Annotated Anodyne c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c2cc[nH]c2c1 ZINC000114772102 EH Annotated Anodyne c1ccc2ncc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc2c1 ZINC000114772893 EH Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccc4)c3C2)nc1 ZINC000114994733 EH Annotated Anodyne OCC1(C[C@@H]2CCCCO2)CCN(C/C=C/c2ccccc2)CC1 ZINC000011662803 EH Annotated Anodyne OCC1(C[C@H]2CCCCO2)CCN(C/C=C/c2ccccc2)CC1 ZINC000011662804 EH Annotated Anodyne Cc1cccnc1CNc1nncc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000011667065 EH Annotated Anodyne CN[C@@H](Cc1cc(Br)ccc1N)c1sccc1C ZINC000011689159 EH Annotated Anodyne OC[C@@]1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1 ZINC000011706878 EH Annotated Anodyne OC[C@]1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1 ZINC000011706888 EH Annotated Anodyne CSc1ccc(-c2nc(CN(C)C3CCOCC3)c(C)o2)cc1 ZINC000011713170 EH Annotated Anodyne CCCCc1nc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)ccc2o1 ZINC000011764045 EH Annotated Anodyne CCCCc1nc2cc(C(=O)N[C@H]3CCOC(C)(C)C3)ccc2o1 ZINC000011764051 EH Annotated Anodyne CC(C)(CO)NC(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011771652 EH Annotated Anodyne CC(C)(CO)NC(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011771661 EH Annotated Anodyne O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)C1CCC1 ZINC000011785800 EH Annotated Anodyne O=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)C1CCC1 ZINC000011785801 EH Annotated Anodyne CC[C@@H]1CN(Cc2ccc(COC)o2)Cc2cc(OC)ccc2O1 ZINC000011789119 EH Annotated Anodyne CC[C@H]1CN(Cc2ccc(COC)o2)Cc2cc(OC)ccc2O1 ZINC000011789120 EH Annotated Anodyne CSCCCN1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 ZINC000011814730 EH Annotated Anodyne CSCCCN1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 ZINC000011814732 EH Annotated Anodyne O=C(CCc1ccncc1)NCc1cccnc1Oc1ccccc1 ZINC000011820701 EH Annotated Anodyne CCC(CC)C(=O)NC[C@@H]1Cc2cc(-c3ccc(C)cn3)ccc2O1 ZINC000011880395 EH Annotated Anodyne CCC(CC)C(=O)NC[C@H]1Cc2cc(-c3ccc(C)cn3)ccc2O1 ZINC000011880396 EH Annotated Anodyne O=C(NC[C@@H]1Cc2cc(-c3cccnc3)ccc2O1)c1cccs1 ZINC000011881233 EH Annotated Anodyne O=C(NC[C@H]1Cc2cc(-c3cccnc3)ccc2O1)c1cccs1 ZINC000011881234 EH Annotated Anodyne Cc1occc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000011933795 EH Annotated Anodyne Cc1cc(C)n(C[C@H](C)NCc2c[nH]nc2-c2ccc(C)c(C)c2)n1 ZINC000011933816 EH Annotated Anodyne Cc1cc(C)n(C[C@@H](C)NCc2c[nH]nc2-c2ccc(C)c(C)c2)n1 ZINC000011933817 EH Annotated Anodyne Cc1ccc2oc(C(=O)N(Cc3nccn3C)C(C)C)c(C)c2c1 ZINC000011936194 EH Annotated Anodyne Cc1nc(C)c(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)nc1C ZINC000011952293 EH Annotated Anodyne Cc1nc(C)c(CN2CC[C@H](C3CCN(CC(C)C)CC3)C2)nc1C ZINC000011952299 EH Annotated Anodyne Cc1cc(Cl)c2oc(C(=O)N[C@H](C)c3ccncn3)c(C)c2c1 ZINC000011996909 EH Annotated Anodyne Cc1cc(Cl)c2oc(C(=O)N[C@@H](C)c3ccncn3)c(C)c2c1 ZINC000011996911 EH Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC000011999729 EH Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cscn2)C1 ZINC000011999730 EH Annotated Anodyne CC(C)Nc1nc(-c2ccc(C(C)C)cc2)cc2ncn(C)c(=O)c12 ZINC000115136562 EH Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)C)cc3)nc(NC3CC3)c2c1=O ZINC000115624227 EH Annotated Anodyne CC(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000115626616 EH Annotated Anodyne Fc1cc(Br)cc2[nH]c([C@@H]3COc4ccccc4O3)nc12 ZINC000116420177 EH Annotated Anodyne CC(C)n1cc([N+](=O)[O-])c2cc(-c3cc(C(=O)O)ccn3)ccc21 ZINC000116763180 EH Annotated Bother COC(=O)c1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000116910244 EH Annotated Anodyne COC(=O)c1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000116910246 EH Annotated Anodyne Cc1cc2c(cc1O)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 ZINC000117407439 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccccc3CC[C@H]21 ZINC000117428730 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000117428734 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccccc3CC[C@H]21 ZINC000117428739 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3c(O)cccc3CC[C@H]21 ZINC000117622338 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(O)cccc3CC[C@H]21 ZINC000117622343 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3c(O)cccc3CC[C@@H]21 ZINC000117622347 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(O)cccc3CC[C@@H]21 ZINC000117622351 EH Annotated Anodyne Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 ZINC000117624195 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21 ZINC000117625273 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000117625279 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000117625282 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(O)ccc3CC[C@H]21 ZINC000117625284 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cccc(O)c3CC[C@H]21 ZINC000117625640 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cccc(O)c3CC[C@@H]21 ZINC000117625646 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cccc(O)c3CC[C@@H]21 ZINC000117625656 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cccc(O)c3CC[C@H]21 ZINC000117625658 EH Annotated Anodyne C[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)[C@H]2Cc3ccccc3[C@@H]12 ZINC000117628008 EH Annotated Anodyne O=C1Cc2cc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)ccc2N1 ZINC000117628513 EH Annotated Anodyne O=C1Cc2cc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)ccc2N1 ZINC000117628515 EH Annotated Anodyne O=C(c1ccc2[nH]ncc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000117629468 EH Annotated Anodyne O=C(c1ccc2[nH]ncc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000117629470 EH Annotated Anodyne CC(C)=CCOc1ccc([C@@H]2C(=O)N(O)C(=O)[C@H]2CC(C)C)cc1 ZINC000117674114 EH Annotated Anodyne CCCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000117778074 EH Annotated Anodyne CCCN1CC(C)(C)OC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000117778076 EH Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2C(C)C)cc1 ZINC000117790286 EH Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2C(C)C)cc1 ZINC000117790288 EH Annotated Anodyne CCc1ccc(C)n2nc(CCc3cn(C)c(-c4ccccc4)n3)nc12 ZINC000117876590 EH Annotated Anodyne FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1 ZINC000118521370 EH Annotated Anodyne N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(Cl)c(F)cc12 ZINC000118564009 EH Annotated Anodyne N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(C(F)(F)F)ccc12 ZINC000118569943 EH Annotated Anodyne Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CC=CCC3)cc12 ZINC000118592948 EH Annotated Anodyne N#Cc1cccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)c1 ZINC000118600776 EH Annotated Mild Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CC=CC3)cc12 ZINC000118605375 EH Annotated Anodyne CC(C)(C)NC(=O)CN(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000118678064 EH Annotated Anodyne Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCC3)cc12 ZINC000118710651 EH Annotated Anodyne CN(Cc1ccccc1)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3 ZINC000118734844 EH Annotated Anodyne C[C@]12C=CC(=O)C=C1C=C[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933029 EH Annotated Mild C[C@]12C=CC(=O)C=C1C=C[C@H]1[C@@H]3[C@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933032 EH Annotated Mild C[C@]12C=CC(=O)C=C1C=C[C@H]1[C@@H]3[C@@H]4C[C@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933035 EH Annotated Mild C[C@]12C=CC(=O)C=C1C=C[C@H]1[C@@H]3[C@H]4C[C@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000118933037 EH Annotated Mild Cc1ccccc1CN1CCN(C/C=C/c2ccccc2)CCC1=O ZINC000012001420 EH Annotated Anodyne COCCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(C)C ZINC000012020022 EH Annotated Anodyne CN(C(=O)c1ccc2nc(C3CCCCC3)oc2c1)[C@@H]1CCOC1 ZINC000012026826 EH Annotated Anodyne CN(C(=O)c1ccc2nc(C3CCCCC3)oc2c1)[C@H]1CCOC1 ZINC000012026830 EH Annotated Anodyne Cc1cc(OCc2cc(C(=O)NC3CCC3)no2)cc(C)c1Cl ZINC000012028145 EH Annotated Anodyne CC[C@@H]1CN(Cc2cccc3nccnc23)Cc2cc(OC)ccc2O1 ZINC000012049107 EH Annotated Anodyne CC[C@H]1CN(Cc2cccc3nccnc23)Cc2cc(OC)ccc2O1 ZINC000012049110 EH Annotated Anodyne Cc1ccc2c(C)c(C(=O)N3CCN(c4ccncc4)CC3)oc2c1C ZINC000012072564 EH Annotated Anodyne Cc1cc(Cl)c2oc(C(=O)N(C)CCc3cnn(C)c3)c(C)c2c1 ZINC000012090513 EH Annotated Anodyne CN1C[C@@H]2C[C@@H](c3cccc4c3oc3ccccc34)N3CCC[C@@]23C1=O ZINC000012111839 EH Annotated Anodyne O=C(/C=C/c1ccco1)N1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000012112046 EH Annotated Anodyne O=C(/C=C/c1ccco1)N1CCC[C@](CO)(CCc2ccccc2)C1 ZINC000012112047 EH Annotated Anodyne CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O ZINC000012153901 EH Annotated Mild in-man endogenous CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@]21CCCC(C)(C)[C@@H]1C=O ZINC000012153902 EH Annotated Mild in-man endogenous CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@@]21CCCC(C)(C)[C@H]1C=O ZINC000012153903 EH Annotated Mild in-man endogenous CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@]21CCCC(C)(C)[C@H]1C=O ZINC000012153904 EH Annotated Mild in-man endogenous CO[C@@H](CNc1nncc(-c2cc(C)oc2C)n1)c1cccs1 ZINC000012192591 EH Annotated Anodyne CO[C@H](CNc1nncc(-c2cc(C)oc2C)n1)c1cccs1 ZINC000012192597 EH Annotated Anodyne Cc1ccc(-c2ccccc2[C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCCN24)o1 ZINC000012200824 EH Annotated Anodyne CC(C)C1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 ZINC000012209323 EH Annotated Anodyne CC(C)C1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 ZINC000012209328 EH Annotated Anodyne C=C(C)[C@@H]1CC=C(CN2CCC(CCOC)(C(=O)OCC)CC2)CC1 ZINC000012225726 EH Annotated Mild CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2cncs2)C1 ZINC000012227944 EH Annotated Anodyne CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cncs2)C1 ZINC000012227952 EH Annotated Anodyne CC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@](C)(C[C@H]1C)[C@H]3[C@@H]2C ZINC000012285421 EH Annotated Anodyne CC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@@H]2C ZINC000012285422 EH Annotated Anodyne CC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@H]3[C@@H]2C ZINC000012285423 EH Annotated Anodyne Cc1ccc(-c2nc(CN(Cc3cnn(C)c3)C(C)C)c(C)o2)o1 ZINC000012297411 EH Annotated Anodyne CCN(CCn1cccn1)Cc1c[nH]nc1-c1cccc2ccccc12 ZINC000012299852 EH Annotated Anodyne CCn1ccnc1CNCc1cccnc1Oc1c(C)cccc1C ZINC000012305771 EH Annotated Anodyne Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)c1 ZINC000012306872 EH Annotated Anodyne Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)c1 ZINC000012306874 EH Annotated Anodyne CN(Cc1cccc2ncccc12)c1nncc(-c2ccc(F)cc2)n1 ZINC000012314031 EH Annotated Anodyne COC[C@@H]1CCCN(Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000012316960 EH Annotated Anodyne COC[C@H]1CCCN(Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000012316961 EH Annotated Anodyne COc1ccc(-c2[nH]ncc2CN2CCCCCCC2)c(OC)c1 ZINC000012317857 EH Annotated Anodyne Cc1cccc(C[C@H](C)NC(=O)c2oc3c(F)cccc3c2C)n1 ZINC000012320888 EH Annotated Anodyne Cc1cccc(C[C@@H](C)NC(=O)c2oc3c(F)cccc3c2C)n1 ZINC000012320889 EH Annotated Anodyne O=C(C1=CCCCC1)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012373777 EH Annotated Anodyne O=C(C1=CCCCC1)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012373778 EH Annotated Anodyne Cc1nn(-c2ccc(Cl)c(N)c2)c2oc3ccccc3c(=O)c12 ZINC000012405803 EH Annotated Anodyne CCCOc1ccc2c(=O)c3c(C)nn(-c4cccc(N)c4)c3oc2c1 ZINC000012405809 EH Annotated Anodyne CSCCNC(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000012431540 EH Annotated Anodyne CCn1ccnc1CN[C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012434127 EH Annotated Anodyne CCn1ccnc1CN[C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012434128 EH Annotated Anodyne Cc1cccc(CN(CCc2ccccc2)CC2CCN(C)CC2)n1 ZINC000012435744 EH Annotated Anodyne COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1C ZINC000012438587 EH Annotated Anodyne COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1C ZINC000012438588 EH Annotated Anodyne Cn1cc(CN2CCc3sccc3C2)c(-c2ccccc2F)n1 ZINC000012443637 EH Annotated Anodyne OC1(CNCc2c[nH]nc2-c2cc3ccccc3o2)CCCCC1 ZINC000012445195 EH Annotated Anodyne CCCc1ccc2oc(C(=O)N(C)CCn3ccnc3C)c(C)c2c1 ZINC000012447480 EH Annotated Anodyne CC(C)C[C@@H](COc1ccccc1)N1CCN(CC(C)C)CCC1=O ZINC000012474495 EH Annotated Anodyne CN1CCC(=O)N([C@H](CSc2ccccc2)c2ccccc2)CC1 ZINC000012474587 EH Annotated Anodyne CC(C)(C)[C@H]1C=C(C(=O)Nc2ccccc2)O[C@@H](OCCCCO)C1 ZINC000012482453 EH Annotated Anodyne C=CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1 ZINC000012486645 EH Annotated Mild CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1 ZINC000012486740 EH Annotated Mild C/C(=N\NC(=O)CNc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000012561292 EH Annotated Reactive C[C@H](/N=c1\ccccn1C(=O)Nc1ccc(F)cc1)c1ccco1 ZINC000012561688 EH Annotated Anodyne O=C(C1=CCCCC1)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000012584810 EH Annotated Anodyne O=C(/C(=N/N=C/c1ccc(O)c(O)c1)c1ccccc1)c1ccccc1 ZINC000012586291 EH Annotated Mild Cc1cccc(CNC(=O)CCc2nnc(C3CCCCC3)o2)c1 ZINC000012596830 EH Annotated Anodyne O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1ccccc1 ZINC000012599692 EH Annotated Anodyne COc1cc(/C=N/N2[C@@H](C)CCC[C@H]2C)cc(Br)c1O ZINC000012660770 EH Annotated Mild COc1ccccc1[C@@H](C)N(C)c1nncc(-c2ccc(F)cc2)n1 ZINC000012711278 EH Annotated Anodyne COc1ccccc1[C@H](C)N(C)c1nncc(-c2ccc(F)cc2)n1 ZINC000012711283 EH Annotated Anodyne O=C(CC1=CCCCC1)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000012712152 EH Annotated Anodyne O=C(CC1=CCCCC1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000012712157 EH Annotated Anodyne CN(Cc1cnccn1)C(=O)C[C@@H](c1ccccc1)c1ccccc1F ZINC000012712261 EH Annotated Anodyne CN(Cc1cnccn1)C(=O)C[C@H](c1ccccc1)c1ccccc1F ZINC000012712266 EH Annotated Anodyne C[C@@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2cccnc2)=NO1 ZINC000012726798 EH Annotated Anodyne C[C@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2cccnc2)=NO1 ZINC000012726800 EH Annotated Anodyne C[C@@]1(c2nnc(-c3ccncc3)o2)CC(c2cccc(Cl)c2)=NO1 ZINC000012726929 EH Annotated Anodyne C[C@]1(c2nnc(-c3ccncc3)o2)CC(c2cccc(Cl)c2)=NO1 ZINC000012726932 EH Annotated Anodyne CCN(CC1CCN(CCc2ccccc2C)CC1)C1CCOCC1 ZINC000012835425 EH Annotated Anodyne C[C@@H](COc1ccccc1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000012836818 EH Annotated Anodyne C[C@H](COc1ccccc1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000012836820 EH Annotated Anodyne CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000012867349 EH Annotated Anodyne CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000012867357 EH Annotated Anodyne CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000012867364 EH Annotated Anodyne N#C/C(=C1\SCC(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 ZINC000012967391 EH Annotated Reactive COc1ccc(/C=N/OCc2cc(Cl)c3c(c2)OCO3)cc1OC ZINC000013016758 EH Annotated Mild CCOC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000013109228 EH Annotated Clean CCOC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000013109230 EH Annotated Clean CCOC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000013109231 EH Annotated Clean CCOC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 ZINC000013109232 EH Annotated Clean COC1=C/C(=C/C(C#N)=C2/NC3=C(C[C@H](C)CC3)S2)C=CC1=O ZINC000013110680 EH Annotated Reactive COC1=C/C(=C/C(C#N)=C2/NC3=C(C[C@@H](C)CC3)S2)C=CC1=O ZINC000013110681 EH Annotated Reactive O=C(N/N=C\C(Br)=C\c1ccccc1)c1cccs1 ZINC000013114156 EH Annotated Reactive C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C2CCCCC2)o1 ZINC000013116518 EH Annotated Anodyne C=CCC1=CC=C/C(=C\Nn2c(C)c3c(C)nnc(C)c3c2C)C1=O ZINC000013118980 EH Annotated Mild CC1=NOC(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000013118993 EH Annotated Mild O=C1C=Cc2ccccc2/C1=C/NNc1ccc(Cl)c(C(=O)O)c1 ZINC000013119120 EH Annotated Mild CC1=C/C(=N/Nc2ccc(Cl)cc2)C=C(CN2CCCC2)C1=O ZINC000013119253 EH Annotated Mild Cc1cc(N2CCC(N(C)C3CCCC3)CC2)[nH]c2cc(=O)ccc1-2 ZINC000013119874 EH Annotated Anodyne Oc1oc(-c2ccccc2Br)nc1/C=N/c1ccccn1 ZINC000013120599 EH Annotated Mild O=C1C=C/C(=C\NN(Cc2ccccc2)c2ccccc2)C(O)=C1O ZINC000013122243 EH Annotated Mild Cc1ccc(O)c(/N=N\c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000013123973 EH Annotated Clean CCOC1=C/C(=C/NNc2cc(C)nc3ccc(C)cc23)C=CC1=O ZINC000013124070 EH Annotated Mild Brc1ccc(C2=Nc3ncnn3[C@H](c3ccco3)C2)cc1 ZINC000013124833 EH Annotated Anodyne Brc1ccc(C2=Nc3ncnn3[C@@H](c3ccco3)C2)cc1 ZINC000013124834 EH Annotated Anodyne O=C(CCn1cnc2ccccc21)/N=N/c1c(O)[nH]c2ccccc12 ZINC000013126293 EH Annotated Clean CCOc1ccc(Nc2[nH]c(=O)sc2C=C2C=CC(=O)C=C2)cc1 ZINC000013126787 EH Annotated Mild O=C1C=CC(=NC2=C(Nc3ccc(O)cc3)Nc3ccccc3N2)C=C1 ZINC000013130607 EH Annotated Mild CCc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3nc(N)nn32)cc1 ZINC000013132035 EH Annotated Anodyne CCc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)Nc3nc(N)nn32)cc1 ZINC000013132037 EH Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3ccc(C)cc3)Nc3nc(N)nn32)cc1 ZINC000013132039 EH Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 ZINC000013132348 EH Annotated Anodyne CCc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 ZINC000013132349 EH Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 ZINC000013132351 EH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1/C=N\Nc1nc2ccccc2[nH]1 ZINC000013132591 EH Annotated Mild C/C(=N/NC(=O)COc1ccccc1-c1ccccc1)c1ccccn1 ZINC000013132612 EH Annotated Reactive NC(=O)NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000013133586 EH Annotated Reactive CN1N=C(c2ccc(F)c(F)c2)CS/C1=N/Cc1ccccc1 ZINC000013133596 EH Annotated Mild O=C(N[C@@H]1CCCc2ccccc21)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000013135735 EH Annotated Anodyne COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@@H](C)C(=O)[C@@H]1C ZINC000013139708 EH Annotated Anodyne COc1ccccc1[C@H]1N[C@H](c2ccccc2OC)[C@@H](C)C(=O)[C@@H]1C ZINC000013139709 EH Annotated Anodyne C/N=c1\scc(-c2ccccc2F)n1/N=C(/C)c1cccnc1 ZINC000013146727 EH Annotated Mild COc1ccccc1N1C(=O)[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O ZINC000013147100 EH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@@H]2C1=O ZINC000013147101 EH Annotated Anodyne O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 ZINC000013147309 EH Annotated Clean CN(C)c1cccc(/N=C2\C=C(N3CCOCC3)CC(C)(C)C2)c1 ZINC000013152678 EH Annotated Mild C[C@H]1C[C@@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 ZINC000013154319 EH Annotated Anodyne C[C@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 ZINC000013154320 EH Annotated Anodyne Cc1ccc2c(c1)[C@H]1CCC[C@H]3[C@H]1N2CC(=O)N3Cc1ccccc1 ZINC000013154794 EH Annotated Anodyne CC(=O)N1[C@@H](Nc2cnc3ccccc3c2)CCN1c1ccccc1 ZINC000013214522 EH Annotated Anodyne Cc1ccc(N2C(=O)CS/C2=C(\C#N)c2nc3ccccc3[nH]2)cc1 ZINC000013216569 EH Annotated Reactive CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1N=C2 ZINC000013219180 EH Annotated Anodyne C=C1[C@@H](C)CC[C@]2(C)c3c(C=O)cc(C(C)C)c(O)c3O[C@H](O)[C@H]12 ZINC000013300233 EH Annotated Mild CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@@]21C ZINC000013302721 EH Annotated Anodyne CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C ZINC000013302722 EH Annotated Anodyne CC(C)=CCCC1=CCC[C@](C)([C@H](O)CC/C(C)=C/CO)OC1=O ZINC000013304086 EH Annotated Anodyne C=CC[C@]1([C@H](C)Cc2ccc3c(c2)OCO3)C=C2OCOC2=CC1=O ZINC000013311451 EH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@]12C ZINC000013322764 EH Annotated Anodyne C=C(CC[C@]1(C)C2=CCC[C@@](C)(C(=O)O)[C@H]2CC[C@H]1C)[C@H](O)CO ZINC000013326951 EH Annotated Mild C[C@H](CC[C@@]1(C)[C@H](C)CC=C2[C@@H]1CC[C@H](O)[C@@]2(C)CO)CC(=O)O ZINC000013326995 EH Annotated Anodyne C=C[C@@](C)(O)[C@@H](O)C[C@H]1C(=C)CC[C@@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O ZINC000013329878 EH Annotated Mild C=C[C@@](C)(O)[C@@H](O)C[C@H]1C(=C)CC[C@H]2[C@](C)(C(=O)O)CCC[C@]12C ZINC000013329880 EH Annotated Mild C=C[C@@](C)(O)[C@@H](O)C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@@]12C ZINC000013329882 EH Annotated Mild C=C[C@@](C)(O)[C@@H](O)C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C ZINC000013329884 EH Annotated Mild C[C@H](CCO)CC[C@@H]1C(C(=O)O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@]12C ZINC000013330319 EH Annotated Anodyne C[C@@H](CCO)CC[C@H]1C(C(=O)O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000013330325 EH Annotated Anodyne C[C@H](CCO)CCC1=C(C(=O)O)[C@H](O)C[C@H]2C(C)(C)CCC[C@]12C ZINC000013330359 EH Annotated Anodyne C[C@H](CCO)CCC1=C(C(=O)O)[C@@H](O)C[C@H]2C(C)(C)CCC[C@]12C ZINC000013330363 EH Annotated Anodyne C=C1[C@H](O)C[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CC[C@@H](C)CC(=O)O ZINC000013330397 EH Annotated Mild C=C[C@@](C)(O)CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2CC[C@@]1(C)O ZINC000013330428 EH Annotated Mild C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000013337098 EH Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)O ZINC000013337100 EH Annotated Mild in-man C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000013337101 EH Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)O ZINC000013337103 EH Annotated Mild in-man COc1c(O)ccc(-c2cc3cc(CCCO)ccc3o2)c1OC ZINC000013339724 EH Annotated Anodyne CC(=O)OCC/C=C/C=C/C=C/CCc1ccc(O)c(OC(C)=O)c1 ZINC000013339819 EH Annotated Anodyne COc1cc2oc(-c3ccc(O)cc3OC)c(C=O)c2cc1OC ZINC000013340118 EH Annotated Anodyne COc1cc(O)cc(-c2oc3c(ccc4occc43)c(=O)c2OC)c1 ZINC000013340707 EH Annotated Anodyne in-vitro biogenic CNc1ccc([C@@H]2CCN3Cc4ccccc4N=C23)cc1C(=O)OC ZINC000013361019 EH Annotated Anodyne CNc1ccc([C@H]2CCN3Cc4ccccc4N=C23)cc1C(=O)OC ZINC000013361022 EH Annotated Anodyne in-vitro biogenic O=c1c(Nc2ccc(F)c(F)c2)nccn1-c1ccc(Cl)cc1 ZINC000013362870 EH Annotated Anodyne CCOc1ccc(-c2[nH]nc3nc(C(C)C)cc(C(=O)O)c23)cc1 ZINC000013363528 EH Annotated Anodyne COc1ccc(CNc2ncc3nc(-c4ccccc4)oc3n2)cc1 ZINC000013368774 EH Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(O)C2=O)cc1 ZINC000013370357 EH Annotated Anodyne in-vitro biogenic CC(C)=CCOc1ccc([C@H]2C(=O)N(O)C(=O)[C@@H]2CC(C)C)cc1 ZINC000013370366 EH Annotated Anodyne C/C=C1/CN2CCc3c4n(c5ccccc35)C=C(C(=O)OC)[C@H]1C[C@@H]42 ZINC000013371255 EH Annotated Anodyne CN1CCc2c3n(c4cc(Br)ccc24)[C@@H](O)CCC[C@@H]31 ZINC000013372074 EH Annotated Anodyne COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1 ZINC000013372796 EH Annotated Bother COc1ccc2c(c1OC)NC13CCC4(CCCN5CC[C@@]21[C@H]54)CC3 ZINC000013373746 EH Annotated Anodyne CC[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O ZINC000013373862 EH Annotated Anodyne in-vitro CN1CC[C@@]23C4=Nc5ccccc5[C@]2(CCN4C)C1=Nc1ccccc13 ZINC000013382756 EH Annotated Anodyne COc1cc2c(c(OC)c1O)C[C@@H]1[C@@H](C2=O)c2ccccc2C1(C)C ZINC000013383521 EH Annotated Anodyne CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3C[C@H](C)O ZINC000013383713 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(CC/C=C(/C)CC[C@@H]12)C(=O)O3 ZINC000013384557 EH Annotated Mild COc1cc2c3c(c(Cl)c4ccccc4c3c1OC)NC(=O)C2=O ZINC000013385026 EH Annotated Bother in-man C=C(C)[C@@H]1Oc2c(OC)cc(C(C)=O)cc2[C@H]1OC(=O)C=C(C)C ZINC000013385118 EH Annotated Mild COc1cc(C)c2c(=O)c3c(OC)c(Cl)c(OC)cc3oc2c1 ZINC000013386758 EH Annotated Bother COc1cc(C)c2c(=O)c3c(OC)cc(OC)c(Cl)c3oc2c1 ZINC000013386765 EH Annotated Bother O=C(c1c[nH]c2ccc(O)cc12)c1nccc2c1[nH]c1ccc(O)cc12 ZINC000013393233 EH Annotated Anodyne in-vivo Oc1ccc(O)c2c1[C@H]1O[C@H]1CC21Oc2cccc3cccc(c23)O1 ZINC000013398501 EH Annotated Anodyne COC(=O)c1cc(O)c2[nH]c3ccccc3c2c1/C=C/C(C)(C)O ZINC000013398956 EH Annotated Anodyne COC(=O)c1cc(OC)c2[nH]c3ccccc3c2c1/C=C/C(C)(C)O ZINC000013398960 EH Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000013401363 EH Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H](CO)CCO ZINC000013402877 EH Annotated Anodyne in-vitro C/C(=C\C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(CO)C(CO)=CCC[C@@H]21 ZINC000013402927 EH Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c(=O)cc(CO)oc13)C=CC(C)(C)O2 ZINC000013404249 EH Annotated Anodyne Cc1cc(=O)c2c(O)c3c(c(/C=C/C(C)(C)O)c2o1)OC(C)(C)C=C3 ZINC000013404267 EH Annotated Anodyne CC1(C)C=Cc2c(c3c(c4c(=O)cc(CO)oc24)OC(C)(C)C=C3)O1 ZINC000013404271 EH Annotated Anodyne Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@H]3O ZINC000013407783 EH Annotated Anodyne C[C@H]1Oc2cc3c(cc2C1(C)C)C[C@@H](c1ccc(O)cc1O)CO3 ZINC000013429490 EH Annotated Anodyne C[C@@H]1Oc2cc3c(cc2C1(C)C)C[C@@H](c1ccc(O)cc1O)CO3 ZINC000013429492 EH Annotated Anodyne C[C@H]1Oc2cc3c(cc2C1(C)C)C[C@H](c1ccc(O)cc1O)CO3 ZINC000013429494 EH Annotated Anodyne C[C@@H]1Oc2cc3c(cc2C1(C)C)C[C@H](c1ccc(O)cc1O)CO3 ZINC000013429496 EH Annotated Anodyne CC1(C)C=Cc2c(ccc3c2O[C@@H](O)[C@@H]2c4ccc(O)cc4O[C@H]32)O1 ZINC000013431326 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@]2(O)CC[C@@]1(C)O ZINC000013432098 EH Annotated Anodyne CCc1cc2c(C(=O)Nc3c(F)cccc3F)cnc(OC)c2o1 ZINC000013437954 EH Annotated Anodyne CC(C)=Cc1cc(/C=C/S(N)(=O)=O)cc(C(=O)c2ccccc2)c1 ZINC000013438156 EH Annotated Anodyne O=C(O)Cc1ccc(CSc2nnc(-c3ccncc3)s2)cc1 ZINC000013442458 EH Annotated Anodyne O=C(O)Cc1ccc(CSc2nnc(-c3ccccn3)s2)cc1 ZINC000013442466 EH Annotated Anodyne CCOC(=O)CCC1=C(c2ccccc2)c2ccccc2C(=O)C1=O ZINC000013443960 EH Annotated Mild CCCCOc1ccnc(C[S@@](=O)c2nc3cscc3[nH]2)c1 ZINC000013448612 EH Annotated Anodyne CCCCOc1ccnc(C[S@](=O)c2nc3cscc3[nH]2)c1 ZINC000013448615 EH Annotated Anodyne O=[S@@](Cc1ccccn1)c1nc2c(-c3ccccc3)scc2[nH]1 ZINC000013448891 EH Annotated Anodyne O=[S@](Cc1ccccn1)c1nc2c(-c3ccccc3)scc2[nH]1 ZINC000013448894 EH Annotated Anodyne CCCOCc1cc(O)c(O)c(Br)c1Br ZINC000013450402 EH Annotated Clean Cc1cc(O)cc2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12 ZINC000013451769 EH Annotated Bother COc1cc(C)c2c(=O)c3c(O)c(Cl)c(O)c(Cl)c3oc2c1 ZINC000013451773 EH Annotated Bother Cc1cc(O)c2c(=O)c3c(O)c(Cl)cc(Cl)c3oc2c1O ZINC000013451787 EH Annotated Bother COc1cc2oc3c(Cl)c(O)cc(C)c3c(=O)c2c(O)c1Cl ZINC000013451816 EH Annotated Bother COc1cc(O)c2c(=O)c3c(C)cc(O)c(Cl)c3oc2c1Cl ZINC000013451842 EH Annotated Bother CCCc1cc2c(cc1O)C(C)(C)[C@H](CCSCCC(=O)O)O2 ZINC000013453222 EH Annotated Anodyne CCCc1cc2c(cc1O)C(C)(C)[C@@H](CCSCCC(=O)O)O2 ZINC000013453226 EH Annotated Anodyne C1=Cc2ccccc2C2(OC[C@H]([C@@H]3CCCCN3)O2)c2ccccc21 ZINC000013453662 EH Annotated Anodyne C=CCc1ccc(O[C@]23C[C@@H](CC=C)C(=O)C=C2OCO3)c(OC)c1 ZINC000013453958 EH Annotated Mild CN1Cc2cc3c(cc2-c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000013458937 EH Annotated Anodyne COc1cc2occc2c2c1[C@H](O)C[C@@](OC)(c1ccccc1)O2 ZINC000013460313 EH Annotated Anodyne in-vitro biogenic O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccncc1 ZINC000013466561 EH Annotated Clean COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 ZINC000013470716 EH Annotated Anodyne CCCNC(=S)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 ZINC000013471857 EH Annotated Anodyne CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@H](c3ccccc3)CC[C@]12C ZINC000013471874 EH Annotated Mild C[C@]12CC[C@H](C3CCCCC3)C[C@@]1(O)CC[C@@H]2/C=N/OCCCN ZINC000013471890 EH Annotated Mild CCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nnn[nH]1 ZINC000013472131 EH Annotated Anodyne CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nnn[nH]1 ZINC000013472132 EH Annotated Anodyne CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])N(C)c1cccc(Cl)c1 ZINC000013473552 EH Annotated Mild CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000013473553 EH Annotated Mild CC(=O)/C(=N\Nc1ccccc1C#N)N(C)c1cccc(Cl)c1 ZINC000013473564 EH Annotated Mild C#Cc1cccc(/N=C(/NNc2ccccc2C(F)(F)F)C(C)=O)c1 ZINC000013473596 EH Annotated Mild CC(C)C#C[C@]1(C(F)(F)F)OC(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000013474520 EH Annotated Mild CSC[C@H]1C(=S)Nc2ccc(F)cc2N1C(=O)OC(C)C ZINC000013474527 EH Annotated Anodyne Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(F)c1 ZINC000013475120 EH Annotated Anodyne O=C1NCCc2ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c21 ZINC000013475197 EH Annotated Anodyne CCCCc1nc2[nH]cnc2c2nc(-c3ccccc3Cl)nn12 ZINC000013475513 EH Annotated Anodyne CCCCc1nc2[nH]cnc2c2nc(-c3cccc(Cl)c3)nn12 ZINC000013475514 EH Annotated Anodyne CCCCc1nc2[nH]cnc2c2nc(-c3ccc(Cl)cc3)nn12 ZINC000013475515 EH Annotated Anodyne CCCCc1nc2[nH]cnc2c2nc(-c3ccc(SC)cc3)nn12 ZINC000013475530 EH Annotated Anodyne CC(C)(O)C1=C[C@]2(O)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000013480955 EH Annotated Anodyne CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC/C(C)=C/[C@H]2OC1=O ZINC000013483492 EH Annotated Anodyne CC1=C[C@@H](O)C[C@H]2[C@@]1(C)C[C@H](O)[C@@H](C)[C@]2(C)CC/C(C)=C/C(=O)O ZINC000013484002 EH Annotated Anodyne CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@H](C)C(=O)[C@H](O)[C@@]12C ZINC000013484050 EH Annotated Anodyne C=C[C@@](C)(O)CC[C@@]1(C)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@H]12 ZINC000013484056 EH Annotated Mild C=C1CCC[C@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@]2(C)CC/C(=C/CO)CO ZINC000013484079 EH Annotated Mild C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]2(O)CO)CC(=O)O ZINC000013484242 EH Annotated Anodyne CC1=CCC[C@@H]2[C@@](C)(CC[C@@H](C)CC(=O)O)[C@H](C)C(=O)[C@H](O)[C@@]12C ZINC000013484304 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)CCC2=C(C(C)C)C(=O)C[C@]2(C)CC1=O ZINC000013484572 EH Annotated Mild CC[C@@H](C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000013484625 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1C=C(C)CC[C@]2(O)[C@@H](C(C)C)C(=O)C[C@]12C ZINC000013484679 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CCC2=CC(=O)C(C(C)(C)O)=C[C@]2(C)[C@@H]1C ZINC000013486066 EH Annotated Mild in-man endogenous C/C=C(\C)C(=O)O[C@H]1CCC2=CC(=O)C(C(C)(C)O)=C[C@]2(C)[C@@H]1C ZINC000013486067 EH Annotated Mild in-man endogenous C/C=C(\C)C(=O)O[C@@H]1CCC2=CC(=O)C(C(C)(C)O)=C[C@@]2(C)[C@@H]1C ZINC000013486068 EH Annotated Mild in-man endogenous C/C=C(\C)C(=O)O[C@H]1CCC2=CC(=O)C(C(C)(C)O)=C[C@@]2(C)[C@@H]1C ZINC000013486069 EH Annotated Mild in-man endogenous Oc1ccc([C@@H]2CCCN2/C(S)=N/CCc2ccccc2)cc1O ZINC000013487038 EH Annotated Mild Oc1ccc([C@H]2CCCN2/C(S)=N/CCc2ccccc2)cc1O ZINC000013487039 EH Annotated Mild O=c1c(-c2ccccc2)cncn1[C@@H](CN1CCCC1)c1ccccc1 ZINC000013488427 EH Annotated Anodyne O=c1c(-c2ccccc2)cncn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013488428 EH Annotated Anodyne O=c1c(-c2ccccc2)ccnn1[C@@H](CN1CCCC1)c1ccccc1 ZINC000013488433 EH Annotated Anodyne O=c1c(-c2ccccc2)ccnn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013488434 EH Annotated Anodyne CSc1ccc(C2=C3c4cc(C)ccc4CC[C@@]3(O)OC2=O)cc1 ZINC000013489704 EH Annotated Anodyne CSc1ccc(C2=C3c4cc(C)ccc4CC[C@]3(O)OC2=O)cc1 ZINC000013489705 EH Annotated Anodyne COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-n1cncn1 ZINC000013490422 EH Annotated Anodyne O[C@]1(c2ccc(Cl)cc2)c2c(ccc3ccccc23)C2=NCCN21 ZINC000013491114 EH Annotated Anodyne O[C@@]1(c2ccc(Cl)cc2)c2c(ccc3ccccc23)C2=NCCN21 ZINC000013491115 EH Annotated Anodyne Nc1nc(-c2ccncc2)nc2c1c1c(n2-c2ccccc2)CCCC1 ZINC000013491877 EH Annotated Anodyne Cc1ccc2c(c1)C(NCCc1ccccn1)=Nc1cccnc1N2 ZINC000013492098 EH Annotated Anodyne Cc1ccc2c(c1)C(NCC[C@H]1CCCN1C)=Nc1cccnc1N2 ZINC000013492102 EH Annotated Anodyne Cc1ccc2c(c1)C(NCC[C@@H]1CCCN1C)=Nc1cccnc1N2 ZINC000013492103 EH Annotated Anodyne C#CCN(C)[C@@H](C)Cc1cccc(OC(=O)N(C)C2CCCCC2)c1 ZINC000013492351 EH Annotated Mild C#CCN(C)[C@H](C)Cc1cccc(OC(=O)N(C)C2CCCCC2)c1 ZINC000013492352 EH Annotated Mild CCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 ZINC000013492885 EH Annotated Anodyne CN1CCn2c(-c3cccc4ccccc34)nc3cccc(c32)C1=O ZINC000013492940 EH Annotated Anodyne O=C(NNc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000132699916 EH Annotated Reactive NS(=O)(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000013520249 EH Annotated Anodyne CC1(C)CC(=O)c2c(SCCCO)sc(-c3cc[nH]n3)c2C1 ZINC000013520378 EH Annotated Anodyne O=C(OCCCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1 ZINC000013524815 EH Annotated Bother CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2S1 ZINC000013525437 EH Annotated Anodyne O=S1(=O)c2cccc3cccc(c23)N1CCCCN1CCCCC1 ZINC000013531191 EH Annotated Anodyne CCCCOc1c(C(=O)c2c(F)cccc2F)cnc2[nH]ncc12 ZINC000013535792 EH Annotated Anodyne CC(C)(N)CNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O ZINC000013535964 EH Annotated Anodyne O=C1Nc2ccc(F)c3c(SCCO)cc(-c4ccc[nH]4)c1c23 ZINC000013535979 EH Annotated Anodyne C#Cc1nnc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc12 ZINC000013536054 EH Annotated Mild CC(C)c1n[nH]c2c(NCc3ccccc3Br)ncnc12 ZINC000013538199 EH Annotated Anodyne Cc1c(-c2cccnc2)n(CCCCP(=O)(O)O)c2ccccc12 ZINC000013542834 EH Annotated Anodyne O=C(N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)c1cccs1 ZINC000013545802 EH Annotated Reactive CN(C)NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000013553607 EH Annotated Reactive CONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000013553621 EH Annotated Anodyne O=C(NOc1ccccc1)Nc1csc(Cc2ccccc2)n1 ZINC000013553628 EH Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C=C2 ZINC000013553836 EH Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C=C2 ZINC000013553837 EH Annotated Anodyne Cc1cc(C)c(NC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)c(C)c1 ZINC000013555680 EH Annotated Anodyne COc1ccc(C2=NN([P@@](=O)(OC)c3ccccc3)CCC2)cc1 ZINC000013557118 EH Annotated Anodyne COc1ccc(C2=NN([P@](=O)(OC)c3ccccc3)CCC2)cc1 ZINC000013557121 EH Annotated Anodyne CO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(F)cc2)=N1 ZINC000013557125 EH Annotated Anodyne CO[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(F)cc2)=N1 ZINC000013557127 EH Annotated Anodyne CC(C)(C)c1cc(/C=C2\CCNS2(=O)=O)cc(C(C)(C)C)c1O ZINC000013558266 EH Annotated Anodyne CC(C)(C)c1cc(/C=C2/CCNS2(=O)=O)cc(C(C)(C)C)c1O ZINC000013558282 EH Annotated Anodyne COc1cccc2c1c1c3c(cc4c1n2C(=O)CC4(C)C)CNCC3 ZINC000013558726 EH Annotated Anodyne O=C1C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2ccccc21 ZINC000013559450 EH Annotated Anodyne CN(C)CCOc1ccc(-c2cccc(N)n2)c2c1CCCCC2 ZINC000013559842 EH Annotated Anodyne COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC ZINC000013571546 EH Annotated Anodyne Cc1ccc(C(=O)N/N=C/C=C/c2ccc(Br)cc2)cn1 ZINC000013571786 EH Annotated Reactive Cc1cccc(NC(=O)CCCN2C(=S)NC(C)(C)C[C@H]2C)c1C ZINC000013573148 EH Annotated Anodyne Cc1cccc(NC(=O)CCCN2C(=S)NC(C)(C)C[C@@H]2C)c1C ZINC000013573150 EH Annotated Anodyne Cc1ncccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCCO1 ZINC000013579715 EH Annotated Anodyne Cc1ncccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1 ZINC000013579717 EH Annotated Anodyne CCC/N=C(\NC#N)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013580092 EH Annotated Mild CC(C)/N=C(\NC#N)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013580095 EH Annotated Mild C/C(=N\N=C(/S)N1CCCCC1)c1cccc(Br)c1 ZINC000013580135 EH Annotated Mild CCN(CC)/C(S)=N/N=C(\C)c1cccc(Br)c1 ZINC000013580137 EH Annotated Mild c1csc(CNc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 ZINC000013580939 EH Annotated Anodyne CCOc1ccc2nc(-c3sc(N)nc3-c3ccccn3)ccc2n1 ZINC000013581997 EH Annotated Anodyne CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1 ZINC000013583943 EH Annotated Anodyne O=C1NCCn2c(-c3ccc(Cl)cc3)c(/C=N/O)c3cccc1c32 ZINC000013584538 EH Annotated Mild CC(=O)OCCSC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584844 EH Annotated Anodyne Cc1nc2c(c(C)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000013585102 EH Annotated Anodyne Cc1ccc(SCCC(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 ZINC000013585709 EH Annotated Clean CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cnc2ccccc2c1 ZINC000013586215 EH Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cnc2ccccc2c1 ZINC000013586216 EH Annotated Reactive CCCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1 ZINC000013586682 EH Annotated Anodyne Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCC(C)(C)C ZINC000013587409 EH Annotated Anodyne Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C)C(C)C ZINC000013587410 EH Annotated Anodyne Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C)C(C)C ZINC000013587411 EH Annotated Anodyne COC(=O)Nc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000013587427 EH Annotated Anodyne COc1cccc(-c2n[nH]c(Cc3cccc(Br)c3)n2)c1 ZINC000013589624 EH Annotated Anodyne COc1cccc(-c2n[nH]c(Cc3ccccc3Br)n2)c1 ZINC000013589627 EH Annotated Anodyne O=C([C@H]1CC=CCC1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000013593867 EH Annotated Anodyne O=C([C@@H]1CC=CCC1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000013593870 EH Annotated Anodyne Cn1cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c2ccccc21 ZINC000013594445 EH Annotated Anodyne Cn1cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c2ccccc21 ZINC000013594448 EH Annotated Anodyne C[C@H](c1ccon1)N(C)Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000013594801 EH Annotated Anodyne C[C@@H](c1ccon1)N(C)Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000013594803 EH Annotated Anodyne Cc1nc(CN(C)Cc2nc(Cc3ccccc3Cl)no2)cs1 ZINC000013595077 EH Annotated Anodyne CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1nccn1C ZINC000013595909 EH Annotated Anodyne O=C(CCc1nnc(C2CCCCC2)o1)NCc1ccc(F)c(F)c1 ZINC000013596048 EH Annotated Anodyne Cc1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nc1O ZINC000013598098 EH Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2)N=C(CC)N(C)Cc2ccccc21 ZINC000013600334 EH Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(CC)N(C)Cc2ccccc21 ZINC000013600336 EH Annotated Anodyne Cc1cc(C)c(C[S@@](=O)c2nc3cc(Cl)ccc3[nH]2)nc1C ZINC000013603909 EH Annotated Anodyne Cc1cc(C)c(C[S@](=O)c2nc3cc(Cl)ccc3[nH]2)nc1C ZINC000013603911 EH Annotated Anodyne Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1F ZINC000013607809 EH Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000013608277 EH Annotated Anodyne CC(C)NC(=O)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000013608279 EH Annotated Anodyne CCNC(=S)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000013608315 EH Annotated Anodyne CCNC(=S)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000013608318 EH Annotated Anodyne CCOC(=O)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000013608379 EH Annotated Anodyne CCOC(=O)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000013608382 EH Annotated Anodyne Oc1nc2c(Cl)cc3c(c2s1)[C@@H](c1ccccc1)CNCC3 ZINC000013608552 EH Annotated Anodyne O=C(O)C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634700 EH Annotated Anodyne FC(F)(F)c1ccccc1NC(=S)N/N=C1\C[C@@H]2CC=C[C@H]12 ZINC000013636281 EH Annotated Mild FC(F)(F)c1ccccc1NC(=S)N/N=C1\C[C@H]2CC=C[C@H]12 ZINC000013636283 EH Annotated Mild FC(F)(F)c1ccccc1NC(=S)N/N=C1\C[C@@H]2CC=C[C@@H]12 ZINC000013636286 EH Annotated Mild FC(F)(F)c1ccccc1NC(=S)N/N=C1\C[C@H]2CC=C[C@@H]12 ZINC000013636289 EH Annotated Mild O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/C(S)=N\c3cccnc3)c2c1 ZINC000013637455 EH Annotated Mild CCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013641935 EH Annotated Anodyne CCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013641938 EH Annotated Anodyne CC1=CS[C@@](OC(C)C)(c2ccc(Cl)cc2)c2noc(=O)n21 ZINC000013641980 EH Annotated Anodyne Cc1nc2n(c1C)N=C(c1ccc(F)cc1)c1cc3c(cc1C2)OCO3 ZINC000013647812 EH Annotated Anodyne COc1ccc(C[C@@H]2c3sc(C)cc3CC[N+]2(C)C)cc1OC ZINC000013648626 EH Annotated Bother COc1ccc(C[C@H]2c3sc(C)cc3CC[N+]2(C)C)cc1OC ZINC000013648629 EH Annotated Bother CN(C)CCNC(=O)c1cccc2c1Oc1cccc(Cl)c1O2 ZINC000013650212 EH Annotated Anodyne CN(C)CCNC(=O)c1cccc2c1Oc1ccc(Cl)cc1O2 ZINC000013650216 EH Annotated Anodyne CN(C)CCNC(=O)c1cccc2c1Oc1c(Cl)cccc1O2 ZINC000013650222 EH Annotated Anodyne C/N=C(\S)[C@]1(c2cccc(C(F)(F)F)c2)CCCC[S@]1=O ZINC000013650984 EH Annotated Mild C/N=C(\S)[C@]1(c2cccc(C(F)(F)F)c2)CCCC[S@@]1=O ZINC000013650985 EH Annotated Mild O=[S@]1CCCC[C@]1(/C(S)=N/c1ccccc1)c1cccnc1 ZINC000013651012 EH Annotated Mild O=[S@@]1CCCC[C@]1(/C(S)=N/c1ccccc1)c1cccnc1 ZINC000013651013 EH Annotated Mild O=C1O[C@@H](CN2CCCCC2)CC1(c1ccccc1)c1ccccc1 ZINC000013651086 EH Annotated Anodyne O=C1O[C@H](CN2CCCCC2)CC1(c1ccccc1)c1ccccc1 ZINC000013651087 EH Annotated Anodyne Cc1cnc(C)n1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651138 EH Annotated Anodyne Cc1cnc(C)n1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651139 EH Annotated Anodyne Cc1cc(C)n(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1 ZINC000013651172 EH Annotated Anodyne Cc1cc(C)n(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1 ZINC000013651173 EH Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@@H]1OC3(CC=C12)C(=O)c1ccccc1C3=O ZINC000013651643 EH Annotated Mild Cc1c(C)c2c(c(C)c1N)C[C@](C)(C[S@@](=O)c1ccccc1)O2 ZINC000013652121 EH Annotated Anodyne Cc1c(C)c2c(c(C)c1N)C[C@@](C)(C[S@@](=O)c1ccccc1)O2 ZINC000013652122 EH Annotated Anodyne Cc1c(C)c2c(c(C)c1N)C[C@](C)(C[S@](=O)c1ccccc1)O2 ZINC000013652123 EH Annotated Anodyne Cc1c(C)c2c(c(C)c1N)C[C@@](C)(C[S@](=O)c1ccccc1)O2 ZINC000013652124 EH Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12 ZINC000013652908 EH Annotated Anodyne COCCNc1nc(C)cc(-c2cc(-c3ccc(Cl)cc3)on2)n1 ZINC000013657590 EH Annotated Anodyne COCCNc1nc(-c2cc(-c3ccccc3)on2)cc(C(C)C)n1 ZINC000013657594 EH Annotated Anodyne Cc1ccc(SC[C@H](CC(C)C)N2CCN(C)CCC2=O)cc1 ZINC000013661795 EH Annotated Anodyne NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 ZINC000013662123 EH Annotated Anodyne NC1=NC[C@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 ZINC000013662147 EH Annotated Anodyne Clc1ccc(-c2noc(-c3occc3Br)n2)nc1 ZINC000013671442 EH Annotated Anodyne CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccccc2)C1=O ZINC000013671647 EH Annotated Anodyne CN(C)c1ccc(/C=C/c2ccc(OC[C@@H](CO)CF)cc2)cc1 ZINC000013673440 EH Annotated Clean CN(C)c1ccc(/C=C/c2ccc(OC[C@H](CO)CF)cc2)cc1 ZINC000013673441 EH Annotated Clean NC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1 ZINC000013673486 EH Annotated Anodyne Cn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1 ZINC000013673507 EH Annotated Anodyne O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccccc3n12 ZINC000013675603 EH Annotated Anodyne Oc1c/c(=N\C[C@H](O)c2ccccc2)oc2c1ccc1ccccc12 ZINC000013676960 EH Annotated Bother Oc1c/c(=N\C[C@@H](O)c2ccccc2)oc2c1ccc1ccccc12 ZINC000013676962 EH Annotated Bother CC(=O)OCCSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000013677484 EH Annotated Anodyne CC(=O)OCCSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000013677509 EH Annotated Anodyne CC(=O)OCCSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013677528 EH Annotated Anodyne CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1 ZINC000013678278 EH Annotated Anodyne CN(c1ccccc1)[C@H]1c2ccccc2N=C(NCCCO)C1(C)C ZINC000013678602 EH Annotated Anodyne COc1ccc2cc([C@@H](c3ccc(C#N)cc3)n3cncn3)oc2c1 ZINC000013680628 EH Annotated Mild COc1ccc2cc([C@H](c3ccc(C#N)cc3)n3cncn3)oc2c1 ZINC000013680629 EH Annotated Mild CSc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 ZINC000013680789 EH Annotated Mild N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1nc2ccccc2s1 ZINC000013680831 EH Annotated Mild CCn1c(O)c(/N=N/C(S)=N\C[C@@H]2CCCO2)c2ccccc21 ZINC000013682850 EH Annotated Mild CC1(C)[C@H]2CC=C(/C=N/NC(=S)NCCc3ccccc3)[C@@H]1C2 ZINC000013683770 EH Annotated Mild CC1(C)[C@@H]2CC=C(/C=N/NC(=S)NCCc3ccccc3)[C@H]1C2 ZINC000013683774 EH Annotated Mild CCNC(=S)N/N=C(\C)c1ccc2ccccc2c1OC(F)F ZINC000013684382 EH Annotated Mild CC/N=C(\S)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000013686869 EH Annotated Mild COC(=O)C/C=C\[C@H](C)[C@@H](OC)c1ccccc1Br ZINC000013704300 EH Annotated Anodyne Cc1ccc(-c2ccccc2NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)o1 ZINC000013718396 EH Annotated Anodyne CN(C)Cc1ccc(CSCCNc2cccc(F)c2C#N)o1 ZINC000013726472 EH Annotated Mild CC(=O)Nc1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000013727714 EH Annotated Anodyne CC(C)(C)c1cc(/C=C2\OC(=S)NC2=O)cc(C(C)(C)C)c1O ZINC000013734149 EH Annotated Anodyne CN1C(=S)NC(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013734155 EH Annotated Anodyne Cc1cccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)c1 ZINC000013737763 EH Annotated Clean CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1 ZINC000013737821 EH Annotated Anodyne CCOC1(OCC)C(C)(C)[C@@H]2c3ccccc3[C@@]1(C)c1cccc[n+]12 ZINC000013739951 EH Annotated Anodyne C1=C(c2ccc(CN3CCCC3)cc2)N2CCN=C2c2ccccc21 ZINC000013740217 EH Annotated Anodyne CN1CC[C@]2(c3cccc(O)c3)C/C(=N/Nc3ccccc3)C[C@H]1C2 ZINC000013741134 EH Annotated Mild CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3ccsc32)C1(C)C ZINC000013741374 EH Annotated Anodyne Cn1cc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000013741377 EH Annotated Anodyne CC1(C)C=C(/N=C(/NC#N)Nc2ccccc2)c2cc(C#N)ccc2O1 ZINC000013741496 EH Annotated Mild CC1(C)C[C@H](N/C(=N/C#N)Nc2ccccc2)c2cc(C#N)ccc21 ZINC000013741503 EH Annotated Mild CCN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1 ZINC000013742139 EH Annotated Anodyne CCCn1c2c(ccc1=O)[C@H](NCCc1c[nH]c3ccccc13)CCC2 ZINC000013743265 EH Annotated Anodyne CCCn1c2c(ccc1=O)[C@@H](NCCc1c[nH]c3ccccc13)CCC2 ZINC000013743266 EH Annotated Anodyne Cc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1 ZINC000013744779 EH Annotated Anodyne Cc1ccccc1Sc1cc2c(cc1NS(C)(=O)=O)CCC2=O ZINC000013744798 EH Annotated Anodyne COC(=O)c1coc2c(O)c3c(c(C)c12)C=C[C@]1(C)C(=O)CC[C@@H]31 ZINC000013746959 EH Annotated Anodyne C(#Cc1ccc2c(c1)OCCO2)CCN1CC=C(c2ccccc2)CC1 ZINC000013757302 EH Annotated Mild COc1cccc(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)c1 ZINC000013758858 EH Annotated Anodyne CN(C)C(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21 ZINC000013758874 EH Annotated Anodyne Cc1ccc(-c2ncn3c2CN(C(=O)N(C)C)c2ccccc2-3)cc1 ZINC000013758876 EH Annotated Anodyne CCNC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21 ZINC000013758907 EH Annotated Anodyne Fc1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1 ZINC000013759878 EH Annotated Anodyne in-vivo CC1(C)CN=C2c3ccccc3[C@](O)(c3ccc(Cl)cc3)N2C1 ZINC000013760573 EH Annotated Anodyne CC1(C)CN=C2c3ccccc3[C@@](O)(c3ccc(Cl)cc3)N2C1 ZINC000013760574 EH Annotated Anodyne Cc1c2n(c3ccc(Oc4ccccc4)cc13)CC[C@@H]2N(O)C(N)=O ZINC000013760631 EH Annotated Anodyne Cc1c2n(c3ccc(Oc4ccccc4)cc13)CC[C@H]2N(O)C(N)=O ZINC000013760632 EH Annotated Anodyne CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c(O)cccc21 ZINC000013761400 EH Annotated Anodyne CN(CCc1ccc2c(c1)OCO2)C[C@H]1CCCc2c(O)cccc21 ZINC000013761401 EH Annotated Anodyne CC(C)Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 ZINC000013762030 EH Annotated Clean O=C1C[C@]2(CCc3ccccc32)OC(=O)[C@@H]1SCc1ccccc1 ZINC000013766440 EH Annotated Anodyne O=C1C[C@@]2(CCc3ccccc32)OC(=O)[C@@H]1SCc1ccccc1 ZINC000013766442 EH Annotated Anodyne O=C1C[C@H](c2ccccc2)OC(=O)[C@H]1SCCc1ccccc1 ZINC000013766460 EH Annotated Anodyne O=C1C[C@@H](c2ccccc2)OC(=O)[C@@H]1SCCc1ccccc1 ZINC000013766462 EH Annotated Anodyne C1=C(c2occc2-c2cccc(N3CCOCC3)c2)C2CCN1CC2 ZINC000013766649 EH Annotated Anodyne C1=C(c2occc2-c2ccc(N3CCOCC3)cc2)C2CCN1CC2 ZINC000013766651 EH Annotated Anodyne CCCCCCSc1nsnc1O[C@@H]1CN2CCC1CC2 ZINC000013777571 EH Annotated Anodyne CCCCCCSc1nsnc1O[C@H]1CN2CCC1CC2 ZINC000013777574 EH Annotated Anodyne Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCC[C@]1(C)CC3 ZINC000013778395 EH Annotated Anodyne Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCC[C@@]1(C)CC3 ZINC000013778396 EH Annotated Anodyne C[C@@H](Nc1ncnc2c1nnn2CCc1ccccc1)c1ccccc1 ZINC000013778544 EH Annotated Anodyne C[C@H](Nc1ncnc2c1nnn2CCc1ccccc1)c1ccccc1 ZINC000013778546 EH Annotated Anodyne O=S1(=O)c2ccccc2Oc2cccc(CBr)c21 ZINC000013779760 EH Annotated Reactive CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 ZINC000013782812 EH Annotated Anodyne C[C@H]1CN2[C@@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000013782962 EH Annotated Anodyne COc1ccc(-c2ccccc2[C@@H]2N[C@@H](C(=O)O)CC[C@@H]2C)cc1 ZINC000013782971 EH Annotated Anodyne COc1ccc(-c2ccccc2[C@@H]2N[C@H](C(=O)O)CC[C@@H]2C)cc1 ZINC000013782972 EH Annotated Anodyne CO[C@H]([C@@H](C)[C@@H](OC)c1ccccc1)[C@@H](C)[C@@H](OC)[C@@H](C)C(C)=O ZINC000013783005 EH Annotated Anodyne CO[C@@H](c1ccccc1)[C@H](C)[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)C(C)=O ZINC000013783006 EH Annotated Anodyne CO[C@@H]([C@H](C)[C@@H](OC)[C@@H](C)C(C)=O)[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000013783007 EH Annotated Anodyne CO[C@@H](c1ccccc1)[C@H](C)[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C(C)=O ZINC000013783008 EH Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@H](OC)c1ccccc1Br ZINC000013783009 EH Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccco3)ccc2O1 ZINC000013795374 EH Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(-c3ccncc3)ccc2O1 ZINC000013795431 EH Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2O1 ZINC000013795437 EH Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)CC2)cc1 ZINC000013796642 EH Annotated Mild O=c1ccc2ccc(CNCCNc3ccc(Cl)cc3)cc2o1 ZINC000013800767 EH Annotated Anodyne Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1Cl ZINC000013800770 EH Annotated Anodyne Cc1ccc2oc(-c3cccc([N+](=O)[O-])c3)cc(=O)c2c1[N+](=O)[O-] ZINC000013801440 EH Annotated Bother C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000013806415 EH Annotated Anodyne CN1CCN(c2nc(-c3ccsc3)cc(-c3cccs3)n2)CC1 ZINC000013808389 EH Annotated Anodyne CCCCC1=C(C(=O)OCC)[C@@H](C(=O)OCC)Oc2ccccc21 ZINC000013814546 EH Annotated Anodyne CCCCC1=C(C(=O)OCC)[C@H](C(=O)OCC)Oc2ccccc21 ZINC000013814549 EH Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3cc(C)cc(C)c32)cc(OC)c1OC ZINC000013814607 EH Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3cc(C)cc(C)c32)cc(OC)c1OC ZINC000013814611 EH Annotated Anodyne COc1cc2ccc(C)nc2c2c1-c1cc(C)ccc1S(=O)(=O)N2 ZINC000013818007 EH Annotated Anodyne COc1cc2cc(C(=O)CCc3cc[n+](C)cc3)sc2cc1OC ZINC000013818067 EH Annotated Anodyne Cc1ccc(-c2cc(NC[C@@H](O)CO)c3ccccc3n2)cc1Cl ZINC000013818401 EH Annotated Anodyne Cc1ccc(-c2cc(NC[C@H](O)CO)c3ccccc3n2)cc1Cl ZINC000013818403 EH Annotated Anodyne OC[C@@H](O)CNc1cc(-c2ccc3c(c2)CCCC3)nc2ccccc12 ZINC000013818409 EH Annotated Anodyne OC[C@H](O)CNc1cc(-c2ccc3c(c2)CCCC3)nc2ccccc12 ZINC000013818412 EH Annotated Anodyne CCn1c(/C=C/C=C/N2CCCC2)[n+](CC)c2nc3ccccc3nc21 ZINC000013822047 EH Annotated Clean C=C(C)[C@H]1CCC2=C[C@@H](C[C@]3(C)O[C@H]3c3cc(C=O)c(o3)C1)OC2=O ZINC000013822118 EH Annotated Mild CCc1c(OC)nc2nc(-c3nc(C(F)(F)F)cs3)cn2c1C ZINC000013822415 EH Annotated Anodyne CCNCC#CCCC(=O)[C@](O)(c1ccc(F)cc1)C1CCCCC1 ZINC000013825191 EH Annotated Mild CCNCC#CCCC(=O)[C@@](O)(c1ccc(F)cc1)C1CCCCC1 ZINC000013825193 EH Annotated Mild CN(C)CC#CCCC(=O)C(O)(C1CCCCC1)C1CCCCC1 ZINC000013825195 EH Annotated Mild COC(=O)C[C@@H]1Oc2ccccc2-n2cc(-c3ccc(F)cc3)nc21 ZINC000013828530 EH Annotated Anodyne COC(=O)C[C@H]1Oc2ccccc2-n2cc(-c3ccc(F)cc3)nc21 ZINC000013828532 EH Annotated Anodyne C/C=C1\CO[C@@](C(=O)NC)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828920 EH Annotated Anodyne C/C=C1\CO[C@](C(=O)NC)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828922 EH Annotated Anodyne C[C@H](C(=O)CC(=O)OC(C)(C)C)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000013829257 EH Annotated Anodyne Cc1ccc(SC[C@@H](CC(C)C)N2CCN(C)CCC2=O)cc1 ZINC000013830506 EH Annotated Anodyne COc1ccc2c(c1)[C@H]1CN[C@@H]2Cc2ccc(Br)cc21 ZINC000013831945 EH Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2ccc(Br)cc2C1=O ZINC000013832159 EH Annotated Anodyne CC1(C)C=C(N2CCCC2=O)c2cc(Br)ccc2C1=O ZINC000013832169 EH Annotated Anodyne CC1(C)C=C(N2CCCC2=O)c2ccc(Br)cc2C1=O ZINC000013832171 EH Annotated Anodyne CC1(C)C=C(N2Cc3ccccc3C2=O)c2cc(C#N)ccc2C1=O ZINC000013832189 EH Annotated Mild O=c1c2ccccc2c(-c2ccccc2)cn1[C@@H]1CN2CCC1CC2 ZINC000013832779 EH Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)csc3c2F)cc(C)n1 ZINC000013832973 EH Annotated Anodyne O=C(NC1CCCCCC1)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000013833784 EH Annotated Anodyne CC1CCC(NC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)CC1 ZINC000013833786 EH Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000013833787 EH Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000013833788 EH Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000013833789 EH Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000013833790 EH Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000013833795 EH Annotated Anodyne C[C@H](NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1)c1ccccc1 ZINC000013833800 EH Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)cc1 ZINC000013833801 EH Annotated Anodyne C[C@@H](NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1)c1ccccc1 ZINC000013833824 EH Annotated Anodyne CN1Cc2sc3ccccc3c2C[C@@H]1C(=O)NC1CCCCC1 ZINC000013833827 EH Annotated Anodyne CCC[C@H](/C=C/C=C/C=C/C#CC#CCCCOC(C)=O)OC(C)=O ZINC000013835250 EH Annotated Mild CCCCNC(=O)CCC#CC#C/C=C/C=C/C=C/[C@H](O)CCC ZINC000013835259 EH Annotated Mild Nc1nc(-c2ccccn2)nc2c1c1c(n2-c2ccccc2)CCCC1 ZINC000013835480 EH Annotated Anodyne Nc1nc(-c2cccnc2)nc2c1c1c(n2-c2ccccc2)CCCC1 ZINC000013835481 EH Annotated Anodyne CN[C@H]1c2cc(OC)ccc2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1O ZINC000013835650 EH Annotated Anodyne O=C1ON=C(c2ccccc2F)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000013836802 EH Annotated Mild COc1cc(CCc2cccc(SC)c(=O)c2)cc(OC)c1OC ZINC000013837225 EH Annotated Anodyne CCCCc1ccccc1N1N=C2COC(C)(C)C=C2C(C#N)=C1N ZINC000013838719 EH Annotated Reactive CCCCc1ccc(N2N=C3COC(C)(C)C=C3C(C#N)=C2N)cc1 ZINC000013838722 EH Annotated Reactive C=CCn1cc(-c2noc([C@@H]3CN4CCC3CC4)n2)c2ccccc21 ZINC000013860842 EH Annotated Mild C=CCn1cc(-c2noc([C@H]3CN4CCC3CC4)n2)c2ccccc21 ZINC000013860843 EH Annotated Mild CC(C)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000013861016 EH Annotated Anodyne CN(C)CCCOc1cc(-c2ccccc2)n(Cc2ccccc2)n1 ZINC000013861427 EH Annotated Anodyne Cc1nc(/N=N/c2ccccc2)c2c(c1O)CO[P@@](=O)(O)OC2 ZINC000013861584 EH Annotated Clean COc1ccccc1NC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000013862051 EH Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2/C(S)=N/c1cccnc1 ZINC000013879031 EH Annotated Mild Cc1cccc(-c2cc(=O)c(C(=O)O)cn2-c2ccc(F)cc2F)c1 ZINC000013879123 EH Annotated Anodyne Cc1ccc([S@](N)(=O)=NC(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000013902872 EH Annotated Anodyne C[n+]1c(C#Cc2ccccc2)n(CC#Cc2ccccc2)c2ccccc21 ZINC000013915304 EH Annotated Mild CCCN(CCC)[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 ZINC000013971762 EH Annotated Bother O=C(N[C@@H](CO)c1ccc2ccccc2c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000013976634 EH Annotated Anodyne O=C(N[C@@H](CO)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000013976636 EH Annotated Anodyne O=C(N[C@@H](CO)c1ccc2ccccc2c1)[C@H]1C[C@H]1c1ccccc1 ZINC000013976637 EH Annotated Anodyne CNCCC[C@H]1Cc2cc(F)ccc2N(c2ccc(C)cc2)C1=O ZINC000013978112 EH Annotated Anodyne CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000013978749 EH Annotated Mild Nc1ccc(C(=O)NCc2ccc(Oc3cccc(F)c3)s2)cn1 ZINC000013981413 EH Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@@H](c1ccccc1)O3 ZINC000013982263 EH Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccccc1)C3 ZINC000013983742 EH Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@@H](c1ccccc1)C3 ZINC000013983747 EH Annotated Anodyne CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)C2 ZINC000013983764 EH Annotated Anodyne CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)C2 ZINC000013983767 EH Annotated Anodyne C[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21 ZINC000013984728 EH Annotated Mild C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](C=CC5=CC(=O)CC[C@@]54C)[C@@H]2CC[C@H]13 ZINC000135609167 EH Annotated Mild CC1(C)C[C@@]2(C)C(=C(O)C1=O)C(=O)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 ZINC000135679414 EH Annotated Mild COc1ccc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(F)cc4)c3n2)cc1 ZINC000135721562 EH Annotated Anodyne CCC1=C(c2ccccc2)N(c2ccccc2)C(=O)/C(=C(\C)NO)C1=O ZINC000135788415 EH Annotated Mild O=c1cc(Cc2ccccc2)nc2c(-c3ccc(Cl)cc3)c[nH]n12 ZINC000135797545 EH Annotated Anodyne O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)c1ccccc1 ZINC000135822943 EH Annotated Anodyne Cc1ccc(C(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)cc1 ZINC000135823186 EH Annotated Anodyne Cn1ccc2c3ccccc3nc-2c1C[C@@]1(C)CC[C@@H](C(C)(C)O)O1 ZINC000135898143 EH Annotated Anodyne C=C[C@](C)(O)CC[C@]1(C)C2=C[C@@H](O)C[C@](C)(C(=O)O)[C@H]2CC[C@H]1C ZINC000135934737 EH Annotated Mild Cc1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000136114382 EH Annotated Anodyne CC(=O)O[C@@H]1C[C@H](Br)C(C)(C)C=C1[C@@H](Cl)CCl ZINC000136187677 EH Annotated Reactive COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C=O)[C@@H]1C=O ZINC000136430787 EH Annotated Mild O=c1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 ZINC000136449289 EH Annotated Anodyne C=C1COC(=O)[C@@]12C[C@H]1C[C@@H](OC(=O)/C(C)=C\C)C[C@H](C)[C@@]1(C)C2 ZINC000136460275 EH Annotated Mild COC(=O)c1c2ccn(CCCN)cc2c(C)c2c1nc1ccccc12 ZINC000136546570 EH Annotated Anodyne C#C/C=C\C[C@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl ZINC000136555563 EH Annotated Reactive C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@@H]3O[C@]312 ZINC000136752400 EH Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]3O[C@]3(C)C(=O)C[C@@H]12 ZINC000136854299 EH Annotated Mild CN1C=CN(COCCc2ccccc2C(F)(F)F)/C1=C/N=O ZINC000136891154 EH Annotated Anodyne O=C1C=C(Br)/C(=C/Br)N1c1ccccc1 ZINC000136892786 EH Annotated Anodyne C=C(C)C1=CC(=O)[C@@H]2C[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@]2(OO)CC1 ZINC000136899723 EH Annotated Reactive C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCCC3)[C@@H]2CC1 ZINC000136918465 EH Annotated Anodyne C1=Nc2ccccc2/C1=C1/NN=C(SCc2cn3ccccc3n2)O1 ZINC000136995882 EH Annotated Anodyne CCCCCCCC(=O)N1[C@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000137093660 EH Annotated Mild C#C/C=C\C[C@@H]1O[C@@H]2C[C@@H](Br)[C@H](CC)O[C@@H]2C[C@@H]1Cl ZINC000137295049 EH Annotated Reactive O=c1/c(=C\c2ccc3ccccc3c2)sc2nc3ccccc3n12 ZINC000137354983 EH Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CCC[C@@H]1[C@H]2OC(=O)CC(C)C ZINC000137458915 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(CC/C=C(\C)CC[C@@H]12)C(=O)O3 ZINC000137467226 EH Annotated Mild COc1ccc(/C=C/COC(=O)/C(C)=C\COC(=O)CC(C)C)cc1 ZINC000137521466 EH Annotated Anodyne CSc1cccc(NC(=O)Nc2c(O)oc3ccccc3c2=O)c1 ZINC000137532055 EH Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CC[C@H]4O[C@H]5OC=CC5=CC[C@]1(C)[C@@H]4[C@]23C ZINC000137577941 EH Annotated Anodyne CC[C@H]1OC(=O)CCCC/C=C\C/C=C\[C@H]2[C@H](O)[C@@H](Cl)C[C@H]12 ZINC000137595491 EH Annotated Reactive C#C/C=C\C[C@@H](Cl)[C@H]1C[C@@H]2O[C@@H]2[C@H](CBr)[C@H](CC)O1 ZINC000137599204 EH Annotated Reactive C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@]45CCC(=O)OC[C@]34CC[C@H]1[C@@H]25 ZINC000137697791 EH Annotated Anodyne Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc(Cl)c1 ZINC000137722085 EH Annotated Anodyne Cc1c(C(=O)/C=C/c2ccc(Cl)cc2)[n+](=O)c2ccccc2n1O ZINC000138191385 EH Annotated Mild Cc1c(C(=O)/C=C/c2ccccc2Cl)[n+](=O)c2ccccc2n1O ZINC000138191871 EH Annotated Mild Cc1c(C(=O)/C=C/C=C/c2ccccc2)[n+](=O)c2ccccc2n1O ZINC000138192604 EH Annotated Mild Cc1[nH]ncc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 ZINC000138228525 EH Annotated Anodyne CCc1c(C)sc2[nH]c(=S)n(CCCn3cnc(C)c3)c(=O)c12 ZINC000138362098 EH Annotated Anodyne C=C1COC(=O)[C@@]12C[C@H]1CC[C@@H](OC(=O)/C(C)=C/C)[C@H](C)[C@@]1(C)C2 ZINC000138386219 EH Annotated Mild c1cc2nc3ccc(=[N+]4CCCC4)cc-3sc2cc1N1CCCC1 ZINC000138397634 EH Annotated Bother in-vivo CC(C)=CCC/C(C)=C/CC[C@H]1[C@H](O)O[C@@H]2O[C@H](O)[C@@H]3CC[C@H]1[C@H]23 ZINC000138400374 EH Annotated Anodyne COC(=O)c1c[nH]n2c(NC3CCCC3)c(-c3ccc(C)cc3)nc12 ZINC000138447186 EH Annotated Anodyne COc1ccc2c(c1)NC(=O)/C2=C(\C(C)=O)c1c[nH]c2ccccc12 ZINC000138473982 EH Annotated Mild C=CC[C@@]1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000138568307 EH Annotated Mild C=CC[C@]1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000138568437 EH Annotated Mild C=C(C)[C@@H]1/C=C\C2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C(=O)O)c(o2)C1 ZINC000138673982 EH Annotated Mild C[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H](O)[C@]2(C)O)[C@@]12C=C(c1ccoc1)OC2 ZINC000138765174 EH Annotated Anodyne CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000138800911 EH Annotated Anodyne CC(C)c1c(O)c(O)c2c(c1O)C(=O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C ZINC000138816907 EH Annotated Clean CCCc1c(C)c(=O)[nH]c2c(O)c3[nH]c(=O)c(C)c(CCC)c3cc12 ZINC000138828799 EH Annotated Bother COc1c(CC=C(C)C)cc2oc3ccc(O)cc3c(=O)c2c1O ZINC000138885611 EH Annotated Bother C/C=C1/C[N+]2(C)CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1CCO ZINC000138934963 EH Annotated Bother CC(=O)C[C@]1(O)c2ccccc2-n2ccc3c4ccccc4nc-3c21 ZINC000138944337 EH Annotated Anodyne CC(=O)C[C@@]1(O)c2ccccc2-n2ccc3c4ccccc4nc-3c21 ZINC000138944428 EH Annotated Anodyne COC(=O)c1ccc(OC/C=C(\C)CC(=O)C=C(C)C)c(OC)c1 ZINC000138954923 EH Annotated Mild C/C1=C/CC/C(C)=C/CC[C@@]2(C)O[C@@H]2C[C@@H]2[C@H](C1)OC(=O)[C@]21CO1 ZINC000138960591 EH Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CCC4=C(C(=O)OC4)[C@]3(C)CC[C@@H]12 ZINC000139028075 EH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccco1)C1CC1 ZINC000139051307 EH Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccco1)C1CC1 ZINC000139051379 EH Annotated Anodyne C[C@H]1OC(=O)/C(=C/CCCCCCCCC[C@H]2C=CCOO2)[C@@H]1O ZINC000139093431 EH Annotated Reactive C[C@H]1OC(=O)/C(=C\CCCCCCCCC[C@H]2C=CCOO2)[C@@H]1O ZINC000139093898 EH Annotated Reactive c1ccc(Nc2ccc(Oc3nccnc3N[C@@H]3CCOC3)cc2)nc1 ZINC000139196569 EH Annotated Anodyne c1ccc(Nc2ccc(Oc3nccnc3N[C@H]3CCOC3)cc2)nc1 ZINC000139196663 EH Annotated Anodyne COc1c2c(cc3c1[nH]c1ccccc13)[C@H](O)O[C@@H](C(C)(C)OO)C2 ZINC000139239906 EH Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000139298810 EH Annotated Mild CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1 ZINC000139337636 EH Annotated Mild C/C=C(/COC(=O)C=C(C)C)C(=O)OC/C=C/c1ccc(OC)cc1 ZINC000139340802 EH Annotated Anodyne Cc1ccc(-c2c(C#N)n(O)c3cc(C(F)(F)F)ccc3[n+]2=O)cc1 ZINC000139362899 EH Annotated Mild CC1=CC[C@@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 ZINC000139571708 EH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)C=O)[C@@H]1C/C=C1\C=COC1=O ZINC000139625790 EH Annotated Mild CCOC(=O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000139652824 EH Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C\C(=O)/C=C(/C)C(=O)C1)OC2=O ZINC000139657287 EH Annotated Mild C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C/C(=O)/C=C(/C)C(=O)C1)OC2=O ZINC000139657401 EH Annotated Mild C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC1 ZINC000139745243 EH Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN(C(C)C)C(C)C)[C@@H]2CC1 ZINC000139766125 EH Annotated Anodyne CCCCN(C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000139766361 EH Annotated Anodyne CCCCCN(C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000139805397 EH Annotated Anodyne CCCN(CCC)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000139871225 EH Annotated Anodyne C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@@H](CBr)[C@@H](CC)O1 ZINC000139906494 EH Annotated Reactive C[C@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21 ZINC000014211115 EH Annotated Mild CC/C=C/C=C/CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)OC)OO1 ZINC000014276650 EH Annotated Reactive CC/C=C/C=C/CCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)OC)OO1 ZINC000014276656 EH Annotated Reactive CC(C)C1=CC(=O)C2=C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1=O ZINC000014286265 EH Annotated Mild COc1ccc(Cl)cc1CO/N=C/c1cccc(OC)c1OC ZINC000014341415 EH Annotated Mild C=C1[C@@H](C)CC[C@]2(C)c3c(C=O)cc(C(C)C)c(O)c3O[C@H](O)[C@@H]12 ZINC000014408054 EH Annotated Mild CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000014410951 EH Annotated Anodyne CC(=O)C1=C(O)[C@]2(CC=C(C)C)C[C@H]3C(C)(C)CC[C@@]3(C1=O)C2=O ZINC000014415621 EH Annotated Mild C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](OC)C1)CCN2C ZINC000014415779 EH Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@@H]12 ZINC000014450672 EH Annotated Anodyne CC(=O)OCCC#Cc1ccc(-c2ccc(COC(C)=O)s2)s1 ZINC000014488889 EH Annotated Mild C=C[C@]1(C)CC[C@H](C(C)=O)[C@H](OC(=O)/C=C/C(C)(C)O)[C@H]1C(=C)C ZINC000014493223 EH Annotated Mild C=C(C)[C@@H]1CC=C2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000014496099 EH Annotated Mild C=C(C(=O)OC)C1=C[C@]2(O)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000014496123 EH Annotated Mild C/C(C=O)=C1\C=C2CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@]2(O)CC1 ZINC000014496134 EH Annotated Reactive CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2CC1=O ZINC000014496146 EH Annotated Mild CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@]3(C)C(=O)OC(=C31)C2=O ZINC000014496154 EH Annotated Mild in-vitro biogenic CC(C)C1=C[C@@]2(O)CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000014496220 EH Annotated Mild in-man endogenous CC(C)C1=C[C@]2(O)CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000014496222 EH Annotated Mild in-man endogenous CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000014496225 EH Annotated Mild in-man endogenous CC(C)C1=C[C@]2(O)CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000014496228 EH Annotated Mild in-man endogenous C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C(=O)O)[C@@]2(O)CC1 ZINC000014499377 EH Annotated Mild O=c1c2cnc3c(c2[nH]n1-c1ccc(OC2CCC2)cc1)CCCC3 ZINC000140078246 EH Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CCOC1=O ZINC000140099766 EH Annotated Anodyne c1ccc2nc(N3CC(c4nccnc4-c4ccncc4)C3)ccc2c1 ZINC000140137571 EH Annotated Anodyne O=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc2cccnc21 ZINC000140168078 EH Annotated Anodyne c1ccc(-c2nccnc2C2CN(c3nncc4ccccc34)C2)cc1 ZINC000140179699 EH Annotated Anodyne c1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140198653 EH Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@H](C(C)=O)[C@@H](O)C[C@H]12 ZINC000140226559 EH Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@H](C(C)=O)[C@H](O)C[C@H]12 ZINC000140227001 EH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC/C=C(\C)CCC2=O ZINC000140272865 EH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@@H]1O[C@@]1(C)CC/C=C(\C)CC[C@H]2O ZINC000140274757 EH Annotated Mild C#C/C=C\CCCCCC/C=C\C#CCCCC#CC#C[C@@H](O)CO ZINC000140313623 EH Annotated Mild COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@@]2(C)CC[C@H](C(C)C)[C@@](O)(O3)[C@@H]12 ZINC000140380070 EH Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)C(=C(C)C)C(=O)/C=C(/C)C(=O)C1 ZINC000140398189 EH Annotated Mild C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C\C(=O)/C=C(\C)C(=O)C1)OC2=O ZINC000140398351 EH Annotated Mild C=C(C)[C@H]1CCC2=C[C@H](C/C(C)=C\C(=O)/C=C(\C)C(=O)C1)OC2=O ZINC000140398509 EH Annotated Mild C=C(C)[C@H]1CCC2=C[C@H](C/C(C)=C/C(=O)/C=C(/C)C(=O)C1)OC2=O ZINC000140399991 EH Annotated Mild CCCCCCCC(=O)N1[C@@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000140439142 EH Annotated Mild CCCCCCCC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000140439302 EH Annotated Mild CCCCCCCC(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000140439465 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@H](C(C)=O)[C@@H](O)C[C@@H]12 ZINC000140466281 EH Annotated Mild C=C(C)/C=C/C[C@@H]1C(=O)O[C@H]2OC(=O)/C3=C/C/C=C(\C)CC[C@H]1[C@H]32 ZINC000140488781 EH Annotated Mild C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3[C@@H](O)O[C@H]4OC(=O)C[C@H]43)[C@H]12 ZINC000140500468 EH Annotated Mild C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@H]3[C@@H]4CC(=O)O[C@@H]4O[C@H]3O)[C@H]12 ZINC000140541682 EH Annotated Mild O=c1c(-c2ccc(O)c(Cl)c2)coc2c(Cl)c(O)cc(O)c12 ZINC000140549651 EH Annotated Anodyne CO[C@@]12C[C@H]3[C@@H](CC[C@@]4(O)C(C)(C)CCC[C@]34C)[C@@H](C)C1=CC(=O)O2 ZINC000140552873 EH Annotated Anodyne Cc1ccc(-c2nc(N)c3cc(CN4CCCCC4)sc3n2)o1 ZINC000140568385 EH Annotated Anodyne Cn1ccc2cc(-c3ccc4oc(N5CCOCC5)nc4c3)ccc21 ZINC000140569420 EH Annotated Anodyne C#C/C=C\C[C@H]1O[C@@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@@H]1Cl ZINC000140606880 EH Annotated Reactive Cc1cccc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000140614781 EH Annotated Anodyne CC(C)c1cc(C(=O)O)c([C@@]2(C)CCC[C@@]3(C)COC(=O)[C@H]23)cc1O ZINC000140763175 EH Annotated Anodyne CNC(=O)c1cnc(N)c(-c2cc(Cl)cc(Cl)c2Cl)c1 ZINC000140813518 EH Annotated Anodyne OC(Nc1cc(Cl)cc(NC(O)=C2N=NN=N2)n1)=C1N=NN=N1 ZINC000140919919 EH Annotated Anodyne Fc1ccc(CNc2nc(N3CCCCC3)nc3ncccc23)cc1 ZINC000140988280 EH Annotated Anodyne NC(=O)/C(=C/Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000141019963 EH Annotated Mild NC(=O)Nc1cc(CCc2ccc(F)c(C(F)(F)F)c2)ccn1 ZINC000141283777 EH Annotated Anodyne O=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1 ZINC000141298853 EH Annotated Anodyne Cc1noc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n1 ZINC000141352092 EH Annotated Anodyne Cc1nc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n[nH]1 ZINC000141352281 EH Annotated Anodyne C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/C(=O)C1)OC3=O ZINC000141446671 EH Annotated Mild C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CCC4=C(COC4=O)[C@]3(C)CC[C@@H]12 ZINC000141470934 EH Annotated Anodyne Cc1cccc(C#C/C=C2/CCCN(c3nc(C)ccc3[N+](=O)[O-])C2)n1 ZINC000141549168 EH Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)OO)COC(=O)[C@@H]12 ZINC000141575207 EH Annotated Reactive C[C@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@]1(C)CCC1=CC(=O)OC1)[C@]32C ZINC000141764667 EH Annotated Anodyne Cc1ccc(-c2cccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C(=O)O)c2)o1 ZINC000141841589 EH Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)CCC[C@@]23OC2=C(C[C@@]13C)C(=O)C(N)=CC2=O ZINC000141860682 EH Annotated Mild COC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nc1 ZINC000141963806 EH Annotated Anodyne C=C[C@@]1(C)C[C@@H]2OC(=O)CC[C@]3(C)[C@@H](C(C)(C)O)CC[C@](C)(O1)[C@@H]23 ZINC000141987419 EH Annotated Mild O=C1OC[C@@H](c2ccccc2)N1c1ccnc(NCc2ccccc2)n1 ZINC000142049931 EH Annotated Anodyne O=C1OC[C@H](c2ccccc2)N1c1ccnc(NCc2ccccc2)n1 ZINC000142051405 EH Annotated Anodyne C[C@H](Nc1nccc(N2CCOC2=O)n1)c1cccc2ccccc12 ZINC000142052486 EH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2F)n1 ZINC000142091863 EH Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)O[C@@H](C)C2(C)C)n1)c1ccccc1 ZINC000142097518 EH Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)O[C@H](C)C2(C)C)n1)c1ccccc1 ZINC000142097735 EH Annotated Anodyne Cc1noc(C)c1-c1cc2c(c3c1OCO3)NC(C)(C)C(=O)C2(C)C ZINC000142098290 EH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccs2)n1 ZINC000142110516 EH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccs2)n1 ZINC000142110715 EH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H]2CCc3ccccc32)n1 ZINC000142119182 EH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1F ZINC000142140610 EH Annotated Anodyne CC(C)[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1 ZINC000142144334 EH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCCCC2)n1 ZINC000142145809 EH Annotated Anodyne Cc1cc(N2C(=O)OC[C@@H]2C(C)C)nc(N[C@@H](C)c2ccccc2)n1 ZINC000142147580 EH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2F)n1 ZINC000142150533 EH Annotated Anodyne Cc1ncn(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C ZINC000142181917 EH Annotated Anodyne Cc1cc2[nH]ncc2c2sc(NC(=O)CNc3ccccc3)nc12 ZINC000142280701 EH Annotated Anodyne Cc1cccc(C#CC=C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000142297598 EH Annotated Anodyne O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1CC1CCC1 ZINC000142332643 EH Annotated Anodyne CCN(CC)CCCNc1cc(OC)c2nc(C)ccc2c1OC ZINC000142369319 EH Annotated Anodyne O=[N+]([O-])c1cc(-c2ccc(O)c(O)c2)ccc1-c1ccc(O)c(O)c1 ZINC000142491329 EH Annotated Anodyne C[C@H](O)C#Cc1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000142594965 EH Annotated Mild Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(O)=C(O)C2=O ZINC000142651191 EH Annotated Mild C=C1c2ccoc2C[C@H]2[C@@]1(O)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC ZINC000142661539 EH Annotated Mild Nc1ccc(-c2ccc(Cl)cc2)cc1NC(=O)C1CCOCC1 ZINC000142923831 EH Annotated Anodyne C#CCn1c(-c2ccco2)nc2c(N)nc(C#CCCCCCC)nc21 ZINC000142980252 EH Annotated Mild O=c1cc(-c2ccc3occc3c2)[nH]c2c(-c3nccs3)cnn12 ZINC000142983512 EH Annotated Anodyne Cc1csc(-c2cnn3c(=O)cc(-c4ccc(Cl)cc4)[nH]c23)n1 ZINC000143140443 EH Annotated Anodyne CC(C)=CCc1ccc(O)c(C(=O)c2c(O)cc(C)cc2C=O)c1O ZINC000143199958 EH Annotated Anodyne O=C1N(c2cnccc2C2CC2)[C@H]2C[C@H]2N1c1ccnc(Cl)c1 ZINC000143204284 EH Annotated Anodyne COC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C)nc1 ZINC000143232824 EH Annotated Anodyne CCOc1cc(OC)cc2oc(-c3cn4nc(OC)sc4n3)cc12 ZINC000143270945 EH Annotated Anodyne Cn1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000143273744 EH Annotated Anodyne Cn1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000143273961 EH Annotated Anodyne Cc1nc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)no1 ZINC000143331581 EH Annotated Anodyne Cc1nc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)no1 ZINC000143331770 EH Annotated Anodyne Cn1cc(-c2cc(O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143338913 EH Annotated Anodyne Cn1cc(-c2cc(O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143339120 EH Annotated Anodyne Cc1cn(-c2ccc(F)cc2)c(=O)n2cc(COc3ccccc3)nc12 ZINC000143346975 EH Annotated Anodyne Cc1n[nH]c(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)n1 ZINC000143350384 EH Annotated Anodyne Cc1n[nH]c(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)n1 ZINC000143350585 EH Annotated Anodyne C=CCCC#CC#C/C=C/CCCCCC[C@@H]1C[C@@H](CO)OC1=O ZINC000143377154 EH Annotated Mild C[C@@H]1CC[C@]2(C)[C@H](CCC[C@]23CO3)[C@@]1(C)CC/C(=C\C(=O)O)CO ZINC000143402657 EH Annotated Anodyne O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(Cn3cccn3)cc21 ZINC000143448734 EH Annotated Anodyne O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(Cn3cccn3)cc21 ZINC000143448949 EH Annotated Anodyne O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000143471489 EH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1ccc2oc3c(c2c1)CNCC3 ZINC000143489911 EH Annotated Anodyne CC(C)(C(=O)O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000143513275 EH Annotated Anodyne O=[S@@](c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000143517579 EH Annotated Anodyne O=[S@](c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000143517792 EH Annotated Anodyne CCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 ZINC000143787130 EH Annotated Anodyne CCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 ZINC000143787339 EH Annotated Anodyne Cc1nc(NCCCOc2nc(C)c(O)c(C)c2C)c(C)c(C)c1O ZINC000143796015 EH Annotated Anodyne COc1nn2cc(-c3oc4c(OC)c(OC)ccc4c3C)nc2s1 ZINC000143839391 EH Annotated Anodyne COc1nn2cc(-c3cc4cc(Cl)c(OC)cc4o3)nc2s1 ZINC000143842417 EH Annotated Anodyne CC(=O)Oc1ccc(C[n+]2ccn(-c3c(C)cc(C)cc3C)c2)cc1 ZINC000143858225 EH Annotated Anodyne CCCOc1ccc2nc(-c3cn4nc(CC)sc4n3)oc2c1 ZINC000143885919 EH Annotated Anodyne C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CC3)c2)c(F)c1 ZINC000143900069 EH Annotated Anodyne C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CC3)c2)c(F)c1 ZINC000143900259 EH Annotated Anodyne O=C1N(c2ccnc(Cl)c2)[C@H]2C[C@H]2N1c1cnccc1C1CC1 ZINC000143905830 EH Annotated Anodyne C=C(CCCCCC)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C ZINC000143966045 EH Annotated Anodyne C=C(CCCCCCC)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C ZINC000143966255 EH Annotated Anodyne C=C(CCCCC)[C@@H](O)[C@H](C)C(=O)n1cc(CCO)c2ccccc21 ZINC000143976245 EH Annotated Anodyne C[C@H](COc1cc(F)ccc1F)NC(=O)[C@@]1(C)C[C@](C)(Cl)C1 ZINC000144005847 EH Annotated Anodyne O=C1N(c2ccnc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 ZINC000144076159 EH Annotated Anodyne O=C(O)C1CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000144297931 EH Annotated Anodyne O=C1N(c2cc(C(F)(F)F)ccn2)CCN1c1cnccc1C1CC1 ZINC000144303167 EH Annotated Anodyne Cc1ccc(F)cc1-c1ccc2cc(NC(=O)CN(C)C)ncc2c1 ZINC000144354035 EH Annotated Anodyne Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3(O)CC3)ncc2c1 ZINC000144362049 EH Annotated Anodyne CCO[C@@H]1C[C@H]1C(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1 ZINC000144375714 EH Annotated Anodyne Cc1ncc(C(=O)NC2(C)CCC2)cc1-c1ccc2cc(N)ncc2c1 ZINC000144377586 EH Annotated Anodyne CCO[C@H]1C[C@@H]1C(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1 ZINC000144423141 EH Annotated Anodyne c1ccc(-c2nccnc2C2CN(Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000144568318 EH Annotated Anodyne Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1F ZINC000144604896 EH Annotated Anodyne Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncc(=O)n1C ZINC000144609087 EH Annotated Anodyne Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1 ZINC000144668357 EH Annotated Anodyne Cc1c(Cc2c(F)cccc2Cl)c(=O)[nH]c2cc(O)cc(O)c12 ZINC000144695275 EH Annotated Anodyne CC(C)NC(=O)c1ccc2c(c1)-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144700975 EH Annotated Anodyne CC(C)NC(=O)c1ccc2c(c1)-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144701177 EH Annotated Anodyne CC(=O)Oc1cc2c3ccncc3n(C(C)=O)c2cc1Br ZINC000144707210 EH Annotated Anodyne COc1cc(OC)c2c(C)c(Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000144713727 EH Annotated Anodyne Cc1noc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)n1 ZINC000144722682 EH Annotated Anodyne Cc1noc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)n1 ZINC000144722901 EH Annotated Anodyne O=C1CCCN1c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144724324 EH Annotated Anodyne O=C1CCCN1c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144724525 EH Annotated Anodyne Cc1ccn(CCCCCCCCn2ccc(C)cc2=N)c(=N)c1 ZINC000144734077 EH Annotated Anodyne Cc1noc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)n1 ZINC000144769817 EH Annotated Anodyne Cc1noc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)n1 ZINC000144770025 EH Annotated Anodyne OCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144777262 EH Annotated Anodyne OCCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144777473 EH Annotated Anodyne Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144777681 EH Annotated Anodyne Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144777857 EH Annotated Anodyne Cc1nnc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)o1 ZINC000144778730 EH Annotated Anodyne Cc1nnc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)o1 ZINC000144778926 EH Annotated Anodyne O[C@]1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cccc21 ZINC000144792107 EH Annotated Anodyne O[C@@]1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cccc21 ZINC000144792298 EH Annotated Anodyne CCCN(C)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144795442 EH Annotated Anodyne CCCN(C)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144795652 EH Annotated Anodyne COc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C ZINC000144810117 EH Annotated Anodyne COC(=O)c1cc(Cl)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144909551 EH Annotated Anodyne COC(=O)c1cc(Cl)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144909763 EH Annotated Anodyne C[C@@H]1OC(=O)C[C@H]2[C@@H]3CCC4=C(O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000144966454 EH Annotated Mild CCCCCC(=O)C[C@@H]1CC(CC(=O)CCC)=C(C)C(=O)[C@]1(C)O ZINC000144977564 EH Annotated Mild CC(=O)CC[C@H](/C=C/[C@@](C)(O)C/C=C/[C@@]1(C)CCC(=O)O1)C(C)C ZINC000014501529 EH Annotated Anodyne CC(=O)CC[C@H](/C=C/[C@](C)(O)C/C=C/[C@@]1(C)CCC(=O)O1)C(C)C ZINC000014501535 EH Annotated Anodyne C=C(C)[C@@H]1C[C@]23C(=O)C(C(=O)C(C)C)=C(O)[C@](C)(C[C@H]2C1(C)C)C3=O ZINC000014514786 EH Annotated Mild C=C(C)[C@H]1C[C@]23C(=O)C(C(=O)C(C)C)=C(O)[C@](C)(C[C@H]2C1(C)C)C3=O ZINC000014514788 EH Annotated Mild COc1c(O)ccc2c1-c1nccc3c(OC)c(OC)c(OC)c-2c13 ZINC000014516299 EH Annotated Anodyne in-vitro biogenic CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)O1 ZINC000014557848 EH Annotated Mild CC1(C)C=Cc2c(ccc(C(=O)CCc3ccc(O)c(O)c3)c2O)O1 ZINC000014557864 EH Annotated Clean COC(=O)c1cc2c(c3c1ccc1c(OC)c(OC)ccc13)OCO2 ZINC000014589630 EH Annotated Bother CC(=O)OC[C@@H](C#Cc1ccc(-c2ccc(C)s2)s1)OC(C)=O ZINC000014590524 EH Annotated Mild C=CC(C)(C)c1cc2c(cc1O)OC[C@@H](c1ccc(O)cc1O)C2 ZINC000014594248 EH Annotated Mild CCc1ccc(NCc2cc(O)n3nc(-c4ccccc4)nc3n2)cc1 ZINC000014608967 EH Annotated Anodyne Cc1ccc(-c2nc3nc(CNc4ccccc4C)cc(O)n3n2)cc1 ZINC000014609044 EH Annotated Anodyne C/C(=C/Cc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1O)CO ZINC000014610075 EH Annotated Anodyne in-man CC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(c3c(C)cccc3oc2=O)O1 ZINC000014611509 EH Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(c3c(C)cccc3oc2=O)O1 ZINC000014611510 EH Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(c3c(C)cccc3oc2=O)O1 ZINC000014611511 EH Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(c3c(C)cccc3oc2=O)O1 ZINC000014611512 EH Annotated Anodyne COc1c2c(cc3ccoc13)[C@@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4 ZINC000014612846 EH Annotated Anodyne COc1c2c(cc3ccoc13)[C@@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4 ZINC000014612847 EH Annotated Anodyne COc1c2c(cc3ccoc13)[C@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4 ZINC000014612848 EH Annotated Anodyne COc1c2c(cc3ccoc13)[C@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4 ZINC000014612849 EH Annotated Anodyne in-vitro biogenic C/C(=C/CC[C@@]1(C)c2c(c3c(C)cc(O)cc3oc2=O)O[C@@H]1C)CO ZINC000014615779 EH Annotated Anodyne C[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3c2OCO3)C(=O)[C@@H]1C ZINC000014618714 EH Annotated Anodyne in-man endogenous C[C@H]1C(=O)c2ccc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 ZINC000014618715 EH Annotated Anodyne in-man endogenous C[C@@H]1C(=O)c2ccc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 ZINC000014618716 EH Annotated Anodyne in-man endogenous COC(=O)c1cccc2c[n+]3c(cc12)-c1[nH]c2ccccc2c1CC3 ZINC000014618767 EH Annotated Anodyne CC1=C(CCC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O ZINC000014619734 EH Annotated Mild CC1=C(CCC2=CC(=O)O[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O ZINC000014619735 EH Annotated Mild in-vitro biogenic Cc1cc(O)c(C)c2c1Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 ZINC000014636960 EH Annotated Anodyne COc1c(C)c(O)c2c(c1C)O[C@H](c1cc3c(cc1O)OCO3)CC2 ZINC000014641533 EH Annotated Anodyne COc1c(C)c(O)c2c(c1C)O[C@@H](c1cc3c(cc1O)OCO3)CC2 ZINC000014641536 EH Annotated Anodyne COc1c2c(nc3occc13)[C@](CC=C(C)C)(OC)C(=O)C=C2O ZINC000014649656 EH Annotated Mild COc1cc(-c2oc3c(OC)cc(C=O)cc3c2C)cc(O)c1O ZINC000014649994 EH Annotated Clean in-vitro biogenic CN1CC[C@@H](c2nccc3c2[nH]c2cc(Br)ccc23)O1 ZINC000014659450 EH Annotated Anodyne CN1CC[C@H](c2nccc3c2[nH]c2cc(Br)ccc23)O1 ZINC000014659453 EH Annotated Anodyne COc1c(OC)c(N(C)C)c2c(c1SSC)C(=O)SCC2 ZINC000014676794 EH Annotated Reactive COc1c2c(cc3occc13)O[C@](OC)(c1ccccc1)C[C@@H]2O ZINC000014677177 EH Annotated Anodyne C=CC[C@@]12C[C@H](OC)C(=O)C=C1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000014677340 EH Annotated Mild C[C@@H]1CC[C@@]2(O)CC(C(=O)O)=CC=C[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000014679534 EH Annotated Anodyne CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1C ZINC000014681285 EH Annotated Mild in-vitro CC(C)=C[C@H]1C[C@@]2(C)C[C@@H](O1)c1c(cc3oc(=O)ccc3c1O)O2 ZINC000014681721 EH Annotated Anodyne C=CC(C)(C)C1=CC(=O)c2cc3c(c(O)c2C1=O)C(=O)OC=C(C)C3 ZINC000014682365 EH Annotated Mild C=C1CC[C@@H](C)[C@](C)(CCC2=C[C@@H](O)OC2=O)C/C=C\C=C/1C(=O)O ZINC000014683304 EH Annotated Mild CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@@H]1C(C)(C)CCC[C@]21C=O ZINC000014689340 EH Annotated Mild in-man endogenous CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@H]1C(C)(C)CCC[C@]21C=O ZINC000014689342 EH Annotated Mild in-man endogenous CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@@H]1C(C)(C)CCC[C@@]21C=O ZINC000014689344 EH Annotated Mild in-man endogenous CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@H]1C(C)(C)CCC[C@@]21C=O ZINC000014689346 EH Annotated Mild in-man endogenous CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)CCC[C@]21C ZINC000014690072 EH Annotated Anodyne C=CC1=C([C@H](C)c2cccc3c2COC3=O)[C@H](c2ccoc2)OC1=O ZINC000014690296 EH Annotated Anodyne C=CCC/C=C/C#CC#CCCCCCC[C@@H]1C(=O)O[C@H](C)[C@H]1O ZINC000014690908 EH Annotated Mild CC(C)=CCCc1c(C)ccc2c1C(=O)C(O)=C([C@@H](C)C=O)C2=O ZINC000014690920 EH Annotated Mild COc1ccc2c(=O)c3nccc4ccc(OC)c(oc2c1OC)c43 ZINC000014691008 EH Annotated Bother C=C(C)[C@]12CC[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC(=O)O2 ZINC000014693578 EH Annotated Mild COc1cc2c(cc1OC)Oc1c(O)ccc(CCN(C)C)c1C=C2 ZINC000014693744 EH Annotated Anodyne in-vivo C=C(C(=O)OC)c1[nH]c2ccccc2c1CCN1CCC=C(CC)C1 ZINC000014693887 EH Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1C[C@@H](O)[C@@H](CO)c2c1cc(C)c(O)c2O ZINC000014696793 EH Annotated Clean CC(C)CC(=O)OC[C@@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1 ZINC000014696940 EH Annotated Anodyne COc1ccc([C@@H]2COc3c(ccc4occc34)C2)c(OC)c1O ZINC000014710435 EH Annotated Anodyne CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@@H]1CCCCNC1=O ZINC000014711453 EH Annotated Anodyne Cc1cc(=O)c2c(O)c(/C=C/C(C)(C)O)c3c(c2o1)C=CC(C)(C)O3 ZINC000014711936 EH Annotated Anodyne COC(=O)CCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1 ZINC000014713220 EH Annotated Anodyne C[N+](C)([O-])CCc1cc2c(c3c1ccc1c(O)cccc13)OCO2 ZINC000014715586 EH Annotated Bother CC[C@@H]1C[C@@H]2C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(C1)[C@@H]42 ZINC000014719419 EH Annotated Anodyne COc1c(O)c2c(c(O)c1C(C)C)C(=O)[C@@H]1C(C)(C)C(=O)CC[C@]21C ZINC000014719597 EH Annotated Anodyne in-vitro biogenic COc1c(O)c2c(c(O)c1C(C)C)C(=O)[C@@H]1C(C)(C)C(=O)CC[C@@]21C ZINC000014719601 EH Annotated Anodyne in-vitro biogenic COc1c(C(C)C)cc2c(=O)cc3c(cc2c1O)C=C[C@H](O)C3(C)C ZINC000014721131 EH Annotated Anodyne COc1c(C(C)C)cc2ccc3c(c(=O)c2c1O)C=CC(=O)C3(C)C ZINC000014721145 EH Annotated Mild CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H](c1ccc(O)cc1)CC3 ZINC000014723941 EH Annotated Anodyne CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@H](c1ccc(O)cc1)CC3 ZINC000014723945 EH Annotated Anodyne Cc1c(O)cc2c3c1OC(C)(C)C[C@H]3c1ccc(O)c(O)c1CC2 ZINC000014724872 EH Annotated Clean in-vitro biogenic Cc1c(O)cc2c3c1OC(C)(C)C[C@@H]3c1ccc(O)c(O)c1CC2 ZINC000014724874 EH Annotated Clean Cc1c(O)cc2c3c1OC(C)(C)C[C@H]3c1cc(O)c(O)cc1CC2 ZINC000014724889 EH Annotated Clean CC(C)C1=CC2=C(O)C(O)=C3C(C)(C)C[C@H](O)C[C@]3(C)C2=C(O)C1=O ZINC000014725022 EH Annotated Mild COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H](C)[C@@H]2C)OCO4)ccc1O ZINC000014726871 EH Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H](C)[C@H]2C)OCO4)ccc1O ZINC000014726873 EH Annotated Anodyne COc1ccc([C@H]2O[C@H](c3ccc(O)c(O)c3)[C@@H](C)[C@@H]2C)cc1O ZINC000014727701 EH Annotated Clean in-vitro biogenic COc1ccc([C@@H]2CCc3c(OC)cc(OC)cc3O2)c(OC)c1 ZINC000014727906 EH Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CCC(C)(C)[C@@]2(C)[C@@H]3[C@@H](O)OC[C@@H]3C[C@@]12C ZINC000014765667 EH Annotated Anodyne CC1(C)CCc2c(O)cc(O)c([C@@H](CC(=O)O)c3ccccc3)c2O1 ZINC000014766815 EH Annotated Anodyne CC1(C)CCc2c(O)cc(O)c([C@H](CC(=O)O)c3ccccc3)c2O1 ZINC000014766817 EH Annotated Anodyne CC/C=C\C/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 ZINC000014768269 EH Annotated Anodyne CC/C=C\C/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 ZINC000014768272 EH Annotated Anodyne CC/C=C\C/C=C\C[C@H](O)[C@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 ZINC000014768275 EH Annotated Anodyne CCCCC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 ZINC000014768280 EH Annotated Anodyne CCCCC/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 ZINC000014768283 EH Annotated Anodyne COc1ccc2c(c1C(C)C)CC[C@H]1C(C)(C)[C@@H](O)CC(=O)[C@]21C ZINC000014768610 EH Annotated Anodyne in-vitro biogenic CCOC(=O)/C=C/c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2 ZINC000014768688 EH Annotated Clean C[C@H](CO)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)C1=CC2=O ZINC000014774047 EH Annotated Mild C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O ZINC000014774055 EH Annotated Mild CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000014774104 EH Annotated Clean in-vitro biogenic C[C@H](CO)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O ZINC000014774497 EH Annotated Clean CC(C)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@@H]1CC2=O ZINC000014774508 EH Annotated Clean COc1c(C)ccc2c(O)c3c(cc12)C(=O)c1c(O)cc(C)cc1C3=O ZINC000014780151 EH Annotated Clean CC(C)=CCc1cc2c(cc1O)O/C(=C\c1ccc(O)c(O)c1)C2=O ZINC000014819131 EH Annotated Mild CC(C)=CCc1c(O)ccc2c1O/C(=C\c1ccc(O)c(O)c1)C2=O ZINC000014819133 EH Annotated Mild in-man CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000014819891 EH Annotated Anodyne COc1c(C(C)C)ccc2c1[C@@H](O)C[C@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000014823656 EH Annotated Anodyne COc1c2c(cc(O)c1C(C)C)[C@]1(C)CCC3=C(COC3=O)[C@@H]1CC2 ZINC000014823674 EH Annotated Anodyne in-vitro biogenic CC(C)c1ccc2c(c1O)C(=O)C[C@@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000014823677 EH Annotated Anodyne CC(C)c1ccc2c(c1O)C(=O)C[C@H]1C3=C(CC[C@@]21C)C(=O)OC3 ZINC000014823681 EH Annotated Anodyne in-vitro biogenic CC(C)c1cc(=O)c(O)cc2c1oc1c(C(C)C)cc(=O)c(O)cc12 ZINC000014826870 EH Annotated Bother CC[C@]12CCCN(CCc3c([nH]c4ccccc34)[C@@H](C(=O)OC)C1)C2 ZINC000014829289 EH Annotated Anodyne CC[C@]12C=CCN3CCc4c(n(c5ccccc45)C(C(=O)OC)=C1)[C@@H]32 ZINC000014829311 EH Annotated Anodyne C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@H]45)[C@H]3C2)[C@H]1O ZINC000014857821 EH Annotated Mild CC(C)C(=O)CC[C@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1 ZINC000014887281 EH Annotated Anodyne in-man CC(C)C(=O)CC[C@@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1 ZINC000014887284 EH Annotated Anodyne in-man biogenic CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C\CO)CC[C@@H]1O ZINC000014887794 EH Annotated Anodyne C[C@H]1C(=O)O[C@@H]2O[C@@H](O)[C@@H]3CCC([C@@]4(C)CCCC(C)(C)C4)=C1[C@H]23 ZINC000014918828 EH Annotated Anodyne COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@@]2(C)CC[C@@H](C(C)C)[C@@](O)(O3)[C@@H]12 ZINC000014922899 EH Annotated Anodyne S=C(Nc1ccc(Br)cn1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000014943866 EH Annotated Anodyne CC(C)C#C[C@@]1(C(F)(F)F)OC(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000014943901 EH Annotated Mild O=C1Nc2ccccc2N(CCC2CC2)[C@]1(C#CC1CC1)C(F)(F)F ZINC000014943923 EH Annotated Mild O=C1Nc2ccccc2N(CCC2CC2)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000014943924 EH Annotated Mild Nc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F ZINC000014945633 EH Annotated Anodyne CSc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)NC2=O)cc1 ZINC000014946033 EH Annotated Anodyne COc1ccc(-c2cc3c(NC(=O)CCSC)ncnc3o2)cc1 ZINC000014946130 EH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1scnc1CCc1cnoc1 ZINC000014946537 EH Annotated Anodyne Cc1ccc(NC(=O)c2scnc2CCc2cnoc2)c(F)c1 ZINC000014946562 EH Annotated Anodyne NCc1c(N)nc(-c2ccccc2)nc1-c1ccccc1C(F)(F)F ZINC000014948323 EH Annotated Anodyne O=C1C=C(O)C(=O)C(CCc2cccc(CCc3ccccc3)c2)=C1O ZINC000014951902 EH Annotated Mild CCn1c(=O)n(CC)c2cc(-c3[nH]cnc3-c3ccccc3)ccc21 ZINC000014958438 EH Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3c[nH]nc3-c3ccccc3)ccc21 ZINC000014958553 EH Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3[nH]ncc3-c3ccccc3)ccc21 ZINC000014958557 EH Annotated Anodyne COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)c(F)c1 ZINC000014958915 EH Annotated Anodyne COc1ccc(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)c(F)c1 ZINC000014958920 EH Annotated Anodyne O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCCC1 ZINC000014959113 EH Annotated Anodyne Cc1nn(-c2ccccc2)c2c1c(=O)c1cc(Cl)ccc1n2O ZINC000014959949 EH Annotated Anodyne N[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 ZINC000014961037 EH Annotated Anodyne N[C@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 ZINC000014961041 EH Annotated Anodyne Cc1nnc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)o1 ZINC000014962789 EH Annotated Anodyne OCC1(C[C@@H]2CCCCO2)CCN(Cc2cc3ccccc3o2)CC1 ZINC000014965016 EH Annotated Anodyne OCC1(C[C@H]2CCCCO2)CCN(Cc2cc3ccccc3o2)CC1 ZINC000014965020 EH Annotated Anodyne CC(C)(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21 ZINC000014967277 EH Annotated Anodyne CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000014968263 EH Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@H](C[C@@]3(C)O[C@@H]3c3cc(C=O)c(o3)C1)OC2=O ZINC000014968427 EH Annotated Mild COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)CCC[C@@]31C)CO2)[C@@H]1CO1 ZINC000014972928 EH Annotated Anodyne O=C1Nc2cccc(F)c2CN1c1csc(-c2ccncc2)n1 ZINC000014974656 EH Annotated Anodyne COc1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2 ZINC000014974667 EH Annotated Anodyne O=C1Nc2ccc(F)cc2CN1c1csc(-c2ccncc2)n1 ZINC000014974670 EH Annotated Anodyne O=C1Nc2cc(F)ccc2CN1c1csc(-c2ccncc2)n1 ZINC000014974676 EH Annotated Anodyne CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1 ZINC000014975627 EH Annotated Anodyne CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 ZINC000014975634 EH Annotated Anodyne CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1 ZINC000014977308 EH Annotated Anodyne Cc1ccc(N[C@@H]2C[C@H](Oc3ncccc3C3CCOCC3)C2)nc1 ZINC000145042890 EH Annotated Anodyne O=C(Nc1ccc(F)cc1)c1ccc(SC[C@@H]2CCCO2)nc1 ZINC000145069039 EH Annotated Anodyne O=C(Nc1ccc(F)cc1)c1ccc(SC[C@H]2CCCO2)nc1 ZINC000145069243 EH Annotated Anodyne CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1[C@H]1C[C@@H]1c1ccccc1Cl ZINC000145091938 EH Annotated Anodyne in-vivo CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1[C@H]1C[C@@H]1c1ccccc1Cl ZINC000145092168 EH Annotated Anodyne in-vivo Nc1cccc(NC(=O)c2ccnc3[nH]c(-c4cccs4)nc23)c1 ZINC000145128199 EH Annotated Anodyne COc1nc(-c2ccc3c(c2)c(C#N)cn3C(C)C)sc1C(=O)O ZINC000145245663 EH Annotated Anodyne C#C/C=C/C[C@@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl ZINC000145299182 EH Annotated Reactive C#C/C=C/C[C@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl ZINC000145299377 EH Annotated Reactive COc1c(C(C)C)ccc2c1CC[C@@H]1[C@]2(C)CC[C@H](O)[C@]1(C)CO ZINC000145424993 EH Annotated Anodyne CC1(C)CCc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3=O)O1 ZINC000145633857 EH Annotated Anodyne COc1c(Cl)ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c1F ZINC000145650799 EH Annotated Anodyne in-vitro C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(=O)CC(C)C)C[C@@H]12 ZINC000145698395 EH Annotated Mild CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000145841346 EH Annotated Anodyne N#C[C@]12CCCC[C@@H](CC1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000145934718 EH Annotated Mild N#C[C@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000145934932 EH Annotated Mild CC[C@@H](c1ccc(OC)cc1)N1CCC2(CCC(O)CC2)OC1=O ZINC000146060637 EH Annotated Anodyne CC[C@@H](c1ccc(OC)cc1)N1CCC2(CCC(=O)CC2)OC1=O ZINC000146061902 EH Annotated Anodyne C[C@@H](Oc1cc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000146080450 EH Annotated Anodyne C=CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000146100048 EH Annotated Mild CC(C)c1c(O)ccc2c1CC[C@H]1[C@@](C)(C(=O)O)CC(=O)C[C@]21C ZINC000146171138 EH Annotated Anodyne C=C1C[C@@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC(=O)c1ccoc1 ZINC000146616638 EH Annotated Mild Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 ZINC000146723562 EH Annotated Anodyne in-vitro C#CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)CC1=O ZINC000146837366 EH Annotated Mild in-vitro Cc1ccc(N[C@@H]2C[C@@H](Oc3ncccc3C3CCOCC3)C2)nc1 ZINC000146902735 EH Annotated Anodyne COc1ccc(Cc2coc3c(C)c(OC)c(C)c(O)c3c2=O)cc1 ZINC000146993932 EH Annotated Anodyne C#C/C=C\[C@@H](Cl)[C@H]1[C@@H]2/C(=C(\Br)CC)O[C@@H]3C[C@H]1O[C@H]23 ZINC000147045240 EH Annotated Reactive CC(C)(C)c1[nH]c(SCc2cccc(F)c2F)nc(=O)c1C#N ZINC000147366428 EH Annotated Anodyne CN(c1ccc(C(F)(F)F)cc1)c1nc(=O)c2cccnc2s1 ZINC000147806614 EH Annotated Anodyne O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CCC1 ZINC000147975705 EH Annotated Anodyne CN(C)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148016268 EH Annotated Anodyne CCC[C@@H](OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)O[N+](=O)[O-] ZINC000148047332 EH Annotated Anodyne CCC[C@H](OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)O[N+](=O)[O-] ZINC000148047533 EH Annotated Anodyne c1ccc(Nc2ccc(Oc3nccnc3[C@H]3CCOC3)cc2)nc1 ZINC000148107759 EH Annotated Anodyne c1ccc(Nc2ccc(Oc3nccnc3[C@@H]3CCOC3)cc2)nc1 ZINC000148107950 EH Annotated Anodyne Cn1cc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cn1 ZINC000148237186 EH Annotated Anodyne O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1Cl ZINC000148288561 EH Annotated Anodyne CCc1cn(-c2ccc3ncsc3c2)c(=O)n1-c1cnccc1C ZINC000148517765 EH Annotated Anodyne Cc1ccncc1N1CCN(c2ccc(F)c(C(F)(F)F)c2)C1=O ZINC000148607339 EH Annotated Anodyne Cc1c(Cc2ccccc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000148614183 EH Annotated Anodyne Cc1ccncc1N1CCN(c2ccc(C(F)(F)F)s2)C1=O ZINC000148623115 EH Annotated Anodyne Cc1ccncc1N1CCN(c2ccc3c(C4CC4)n[nH]c3c2)C1=O ZINC000148810044 EH Annotated Anodyne N#Cc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1 ZINC000148955454 EH Annotated Mild O=C1CN=C(c2cccs2)C=C2c3cccc(Cl)c3CCN12 ZINC000148983877 EH Annotated Anodyne Cc1nccn2nc(-c3ccn4c(C)c(-c5ccccc5)nc4c3)nc12 ZINC000149266541 EH Annotated Anodyne Cc1ccncc1N1CCN(c2cn(C)c3ccc(Cl)cc23)C1=O ZINC000149426612 EH Annotated Anodyne O=C1N(c2cnc3[nH]ccc3c2)CCN1c1ccc2ncsc2c1 ZINC000149460322 EH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@H](O)CO ZINC000149564933 EH Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@@H](O)CO ZINC000149565130 EH Annotated Mild CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CO)C1=C(O)C2=O ZINC000149699450 EH Annotated Mild Cc1cccc(C)c1/N=C(\N)N/N=C/c1ccc(Br)cc1 ZINC000149718728 EH Annotated Mild Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)o1 ZINC000149720246 EH Annotated Reactive NCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000149752880 EH Annotated Anodyne NCc1ccc(-c2c(O)cc(F)c3[nH]c(=O)c4sccc4c23)cc1 ZINC000149866289 EH Annotated Anodyne Clc1ccc([C@@H]2c3nnnn3-c3ccccc3N2CC2CC2)cc1 ZINC000149905823 EH Annotated Anodyne Cc1cc(Nc2ccc([C@H]3CNCCO3)cc2)ncc1Br ZINC000149933840 EH Annotated Anodyne FC(F)(F)c1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000149965818 EH Annotated Anodyne Cc1cc([C@@H]2CNCCO2)ccc1Nc1ccc(Br)cn1 ZINC000149975881 EH Annotated Anodyne Cc1cc([C@H]2CNCCO2)ccc1Nc1ccc(Br)cn1 ZINC000149976091 EH Annotated Anodyne Cc1cc(C(C)(C)NC(=O)[C@H](Br)C(C)(C)C)cc(C)n1 ZINC000001503235 EH Annotated Reactive Cc1cc(C(C)(C)NC(=O)[C@@H](Br)C(C)(C)C)cc(C)n1 ZINC000001503236 EH Annotated Reactive Cc1cc(CCCCCOc2ccc(C3=N[C@@H](C)CO3)cc2)on1 ZINC000001530456 EH Annotated Anodyne in-vivo Cc1cc(CCCCCOc2ccc(C3=N[C@H](C)CO3)cc2)on1 ZINC000001530457 EH Annotated Anodyne in-vitro CCO[P@](=S)(N[C@H](C)CC)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000001532117 EH Annotated Reactive in-vitro CCO[P@](=S)(N[C@@H](C)CC)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000001532118 EH Annotated Reactive in-vitro CCO[P@@](=S)(N[C@H](C)CC)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000001532119 EH Annotated Reactive in-vitro CCO[P@@](=S)(N[C@@H](C)CC)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000001532120 EH Annotated Reactive in-vitro CCO[P@](=S)(N[C@H](C)CC)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000001532121 EH Annotated Reactive in-vitro CCO[P@](=S)(N[C@@H](C)CC)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000001532122 EH Annotated Reactive in-vitro CCO[P@@](=S)(N[C@H](C)CC)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000001532123 EH Annotated Reactive in-vitro CCO[P@@](=S)(N[C@@H](C)CC)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000001532124 EH Annotated Reactive in-vitro CCCCCCCCCCC#Cc1csc([C@@H](O)[C@@H](N)CO)c1 ZINC000001535473 EH Annotated Mild CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3C[C@@H](C)O ZINC000001536589 EH Annotated Mild CCCCc1c(O)c2cccnc2n(-c2ccc3c(c2)CCC3)c1=O ZINC000001536962 EH Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 ZINC000001540634 EH Annotated Anodyne CCCCCCCCCCC#Cc1cccc([C@@H](O)[C@@H](N)CO)c1 ZINC000001541639 EH Annotated Mild O=C1Nc2cc(C(F)(F)F)ccc2Sc2nc(Cl)ncc21 ZINC000001548794 EH Annotated Anodyne CCCCCCCCCCC#Cc1ccc([C@@H](O)[C@@H](N)CO)s1 ZINC000001552285 EH Annotated Mild Clc1ccc(N(CCBr)CCBr)cc1 ZINC000001557965 EH Annotated Reactive CCc1ccccc1C1(Br)C(=O)c2ccccc2C1=O ZINC000001564137 EH Annotated Clean COc1cc2c(cc1-c1coc3cc4occc4cc3c1=O)OCO2 ZINC000001584831 EH Annotated Anodyne in-man biogenic C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H](CO)CCO ZINC000001598086 EH Annotated Mild CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C1=O ZINC000001607803 EH Annotated Mild CC(C)C1=CC(=O)C2=C(CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C1=O ZINC000001607804 EH Annotated Mild O=c1cccccc1NCCCCCCCNc1cccccc1=O ZINC000001613633 EH Annotated Anodyne N#C[C@@H](C(=O)C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000001616790 EH Annotated Mild CCCCCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)C=CC(=O)C(C)=C2[C@H]1O ZINC000001617147 EH Annotated Anodyne COc1ccc(/C(Cl)=C(\C=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000001617205 EH Annotated Reactive C[C@@H]1C(=O)c2c(O)cc3oc(=O)cc(-c4ccccc4)c3c2O[C@@H]1C ZINC000001617583 EH Annotated Anodyne C[C@H]1Oc2c(c(O)cc3oc(=O)cc(-c4ccccc4)c23)C(=O)[C@@H]1C ZINC000001617584 EH Annotated Anodyne C[C@@H]1Oc2c(c(O)cc3oc(=O)cc(-c4ccccc4)c23)C(=O)[C@H]1C ZINC000001617585 EH Annotated Anodyne C[C@@H]1Oc2c(c(O)cc3oc(=O)cc(-c4ccccc4)c23)C(=O)[C@@H]1C ZINC000001617586 EH Annotated Anodyne CC(C)(C)OC1=C(OC(C)(C)C)[C@@](O)(c2ccc(Cl)cc2)C1=O ZINC000001618314 EH Annotated Mild COc1cc2ccnc3c2c(c1OC)C(=O)C3=C(SC)SC ZINC000001619532 EH Annotated Mild CC1=C(SC#N)S(=O)(=O)N(c2ccccc2)C(C)=C1SC#N ZINC000001620528 EH Annotated Reactive Cc1cccc2c1Oc1cc(Cl)ccc1[C@H]2NC(=O)CN(C)C ZINC000001624561 EH Annotated Anodyne Cc1cccc2c1Sc1ccccc1[C@@H]2NC(=O)CCN(C)C ZINC000001624563 EH Annotated Anodyne C[C@H]1CCC[C@@H](C(=O)/C(=C/c2cccc(Cl)c2)C(=O)C(=O)O)C1 ZINC000001624619 EH Annotated Mild COC1=C(OC)CCC(/C(C#N)=C/c2ccc(OC)c(OC)c2)=C1 ZINC000001625656 EH Annotated Reactive Cc1ccccc1NC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O ZINC000001627679 EH Annotated Clean CCOC1=C2N=C(Cc3ccccc3F)N=C2C(=O)c2ccccc21 ZINC000001629476 EH Annotated Clean CCOC(=O)/C(=C(\O)c1ccccc1)[n+]1c(C)sc2ccccc21 ZINC000001629576 EH Annotated Mild CC[C@]12CCCN[C@@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 ZINC000001630800 EH Annotated Anodyne CC1(C)OC(=O)C(C#N)=C1/C=C/c1coc2ccc(Cl)cc2c1=O ZINC000001630853 EH Annotated Reactive CCOC(=O)C1(C(=O)OCC)C(C(C)(C)C)=C(C)c2ccccc21 ZINC000001630957 EH Annotated Anodyne CCN1CC[C@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 ZINC000001632205 EH Annotated Anodyne Cc1c(-c2coc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000001632331 EH Annotated Anodyne COc1cc(NC(C)=O)c2[nH]c3c(C)cc(NC(C)=O)c(C)c3c2c1 ZINC000001633043 EH Annotated Anodyne CC(=O)c1cccc(N2COC(C)(C)c3nc4ccccc4n3C2)c1 ZINC000001633130 EH Annotated Anodyne COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3 ZINC000001633290 EH Annotated Bother COc1ccc(CN2CCC/C=C/CC(Cl)(Cl)C2=O)cc1 ZINC000001633291 EH Annotated Anodyne O=C1[C@H]2CC[C@H](C2)[C@@]12C[C@]1(c3ccccc3)C(=O)c3ccccc3N1O2 ZINC000001633311 EH Annotated Anodyne COc1ccc(N2[C@@H](c3c[nH]c4ccccc34)C(=O)[C@H]2Cl)cc1 ZINC000001633491 EH Annotated Reactive CCN(CC)c1cccc2c1[C@@]1(O)CCC3(C[C@H]21)OCCCCO3 ZINC000001634635 EH Annotated Anodyne CCN(CC)c1cccc2c1[C@@]1(O)CCC3(C[C@@H]21)OCCCCO3 ZINC000001634636 EH Annotated Anodyne CCN(CC)c1cccc2c1[C@]1(O)CCC3(C[C@H]21)OCCCCO3 ZINC000001634637 EH Annotated Anodyne CCN(CC)c1cccc2c1[C@]1(O)CCC3(C[C@@H]21)OCCCCO3 ZINC000001634638 EH Annotated Anodyne Cc1cccc(-c2nc(-c3cnccn3)n(Cc3ccccc3)n2)c1 ZINC000001635120 EH Annotated Anodyne CC1(C)[C@H]2CC(=O)[C@]1(C)[C@@H](OCc1ccccc1)[C@@H]2Br ZINC000001636248 EH Annotated Reactive O=C(c1ccccc1)N1OCC[C@H]1Nc1ccc(Br)cc1 ZINC000001636385 EH Annotated Anodyne CC(=O)N1[C@H](Nc2cccc3nc(C)ccc23)CCN1c1ccccc1 ZINC000001636405 EH Annotated Anodyne C=C[C@](O)(CBr)CC[C@@H](Br)C(C)(C)Cl ZINC000001638705 EH Annotated Reactive C=C[C@](O)(CBr)CC[C@H](Br)C(C)(C)Cl ZINC000001638706 EH Annotated Reactive C=C[C@@](O)(CBr)CC[C@@H](Br)C(C)(C)Cl ZINC000001638707 EH Annotated Reactive C=C[C@@](O)(CBr)CC[C@H](Br)C(C)(C)Cl ZINC000001638708 EH Annotated Reactive O=C1[C@H]2CC[C@@H]3C(=O)C(Cl)(Cl)[C@@H]3CC[C@H]2C1(Cl)Cl ZINC000001642227 EH Annotated Anodyne O=C1[C@@H]2CC[C@@H]3C(=O)C(Cl)(Cl)[C@@H]3CC[C@@H]2C1(Cl)Cl ZINC000001642228 EH Annotated Anodyne O=C1[C@H]2CC[C@@H]3C(=O)C(Cl)(Cl)[C@@H]3CC[C@@H]2C1(Cl)Cl ZINC000001642229 EH Annotated Anodyne COC(=O)c1c(C)nc(C)c(NO)c1-c1ccccc1C(F)(F)F ZINC000001643238 EH Annotated Anodyne Cn1c(CC[C@@]2(C)Cc3ccccc3C(=O)O2)cc2ccccc2c1=O ZINC000001644456 EH Annotated Anodyne CCOC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F ZINC000001644557 EH Annotated Anodyne COC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F ZINC000001644578 EH Annotated Anodyne CCC(=O)NC(Nc1cccc(F)c1C)(C(F)(F)F)C(F)(F)F ZINC000001644583 EH Annotated Mild O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCC4)CCC3 ZINC000001645334 EH Annotated Anodyne O[C@@](C#CCN1CCCC1)(c1ccccc1)c1ccccc1Cl ZINC000001645559 EH Annotated Mild CC(=O)OCC[C@@H]1c2ccccc2-n2nc(-c3ccccc3)c(O)c21 ZINC000001645819 EH Annotated Anodyne COC(=O)c1cc(C)ccc1C[C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000001646086 EH Annotated Anodyne COC(=O)c1cc(C)ccc1C[C@@H](Cc1ccccc1C)C(=O)OC ZINC000001646087 EH Annotated Anodyne COC(=O)c1cc(C)ccc1C[C@@H](Cc1cccc(C)c1)C(=O)OC ZINC000001646088 EH Annotated Anodyne CC1(C)Oc2ccc3c(=O)cc(-c4cccs4)oc3c2[C@H]1C(=O)O ZINC000001648798 EH Annotated Anodyne O=C(c1ccsc1)c1cc2c(s1)C(=O)c1ccsc1C2=O ZINC000001648906 EH Annotated Clean COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1C=C2 ZINC000001650714 EH Annotated Anodyne COc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CC2 ZINC000001650715 EH Annotated Anodyne Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(Cl)cc1)C3 ZINC000001651336 EH Annotated Anodyne S=C(N/N=C(\c1ccccc1)c1ccccn1)NC1CCCCC1 ZINC000001651578 EH Annotated Mild COc1ccc([C@@H]2OC(N)=C(C#N)C3=C2CCC[C@@H]3C)cc1OC ZINC000001652468 EH Annotated Reactive COc1ccc([C@@H]2OC(N)=C(C#N)C3=C2CCC[C@H]3C)cc1OC ZINC000001652469 EH Annotated Reactive COc1ccc([C@H]2OC(N)=C(C#N)C3=C2CCC[C@@H]3C)cc1OC ZINC000001652470 EH Annotated Reactive COc1ccc([C@H]2OC(N)=C(C#N)C3=C2CCC[C@H]3C)cc1OC ZINC000001652471 EH Annotated Reactive CCOc1ccccc1N1CSc2nnc(-c3ccccc3)n2C1 ZINC000001652658 EH Annotated Anodyne CCCCCCCCOc1ccc(/C=C/C2=[N+](CCO)CCO2)cc1 ZINC000001652769 EH Annotated Mild C[C@@H](Cn1c2c(c3cc(O)ccc31)CCc1ccc(O)cc1-2)N(C)C ZINC000001653359 EH Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)O1 ZINC000001653440 EH Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)O1 ZINC000001653441 EH Annotated Anodyne COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)O1 ZINC000001653442 EH Annotated Anodyne CCOC(=O)c1cc(-c2ccn(C(C)=O)c2)c(-c2cc(C)co2)[nH]1 ZINC000001654365 EH Annotated Anodyne CN1CC[C@@]23C1=Nc1ccccc1[C@@]21CCN(C)C1=Nc1ccccc13 ZINC000001656842 EH Annotated Anodyne CC(C)(C)c1cc(C(C)(C)C)c(SS(=O)(=O)O)c(O)c1O ZINC000001657719 EH Annotated Reactive COc1ccc(Nc2nc(N)c(C(=O)c3cccs3)s2)cc1 ZINC000001658111 EH Annotated Anodyne CC(=O)n1cc([C@H]2C[C@@]23N=C(c2ccccc2)OC3=O)c2ccccc21 ZINC000001658322 EH Annotated Anodyne CC(=O)n1cc([C@@H]2C[C@@]23N=C(c2ccccc2)OC3=O)c2ccccc21 ZINC000001658323 EH Annotated Anodyne CC(=O)n1cc([C@@H]2C[C@]23N=C(c2ccccc2)OC3=O)c2ccccc21 ZINC000001658324 EH Annotated Anodyne Clc1nc2c(C#Cc3ccccc3)ncnc2n1[C@@H]1CCCCO1 ZINC000001659304 EH Annotated Mild Clc1ncnc2c1nc(C#Cc1ccccc1)n2[C@@H]1CCCCO1 ZINC000001659306 EH Annotated Mild Clc1ncnc2c1nc(C#Cc1ccccc1)n2Cc1ccccc1 ZINC000001659308 EH Annotated Mild O=C1C(Br)=C(c2ccccc2)S(=O)c2ccccc21 ZINC000001660435 EH Annotated Mild COC(=O)/C=C/c1ccccc1N=[S@](C)(=O)c1ccc(C)cc1 ZINC000001660855 EH Annotated Anodyne COc1ccc(/[N+]([O-])=C/c2ccc(OC(=S)S)c(OC)c2)cc1 ZINC000001661825 EH Annotated Mild O=Cc1cc(O)c(O)c(/C=N/n2c3ccccc3c3ccccc32)c1 ZINC000001661935 EH Annotated Mild COc1cc(C=O)cc(/C=N/c2ccc(Br)cc2)c1O ZINC000001661939 EH Annotated Mild O=c1oc2c(Cl)cc(Cl)cc2cc1C1=CSC2=NCCN12 ZINC000001662011 EH Annotated Anodyne CCOC(=O)c1c(C)n(C)c2c1cc(O)c1[nH]c3c(c12)CCCC3 ZINC000001663406 EH Annotated Anodyne C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN4CCO[C@@H]45)[C@@H]3C2)[C@@H]1O ZINC000001687427 EH Annotated Mild O=C1C(=O)[C@@H](CSc2ccc(Cl)cc2)C(=O)c2ccccc21 ZINC000001700881 EH Annotated Clean COc1ccc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2c1 ZINC000001766252 EH Annotated Bother CC[C@H](C)OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001826328 EH Annotated Mild Cc1cc(/N=C(/N[C@@H]2NC=CS2)NC(C)(C)C)c2ccccc2n1 ZINC000001842114 EH Annotated Mild COc1c(O)c2c3c(nccc3c1OC)C(C)(C)c1cc(O)ccc1-2 ZINC000001842528 EH Annotated Anodyne in-vivo CCN(CC)CCN1CCN(c2ccccc2)c2ccccc2C1=O ZINC000001845109 EH Annotated Anodyne CCN(CC)C[C@@H](C)OC(=O)[C@H]1CCCC[C@@]1(O)C1CCCCC1 ZINC000001846345 EH Annotated Anodyne in-man CCN(CC)C[C@@H](C)OC(=O)[C@@H]1CCCC[C@@]1(O)C1CCCCC1 ZINC000001846349 EH Annotated Anodyne in-man O=C(O)c1cc(C[C@@H]2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 ZINC000001855500 EH Annotated Anodyne COC(=O)CCC(=O)c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 ZINC000001855625 EH Annotated Anodyne N[C@H](CCCCC[P@@](=O)(c1ccccc1)[C@@H]1C=CC=CC1)C(=O)O ZINC000001856294 EH Annotated Anodyne O=C(C(Cl)=C(N1CCCCC1)N1CCCCC1)C(Cl)Cl ZINC000001856743 EH Annotated Reactive COC(=O)NNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001858610 EH Annotated Reactive C=C[C@@H]1CN(C(=O)OCC)N(C(=O)OCC)[C@@H]1CCc1ccccc1 ZINC000001860391 EH Annotated Mild C=C[C@@H]1CN(C(=O)OCC)N(C(=O)OCC)[C@H]1CCc1ccccc1 ZINC000001860393 EH Annotated Mild C=C[C@H]1CN(C(=O)OCC)N(C(=O)OCC)[C@@H]1CCc1ccccc1 ZINC000001860395 EH Annotated Mild C=C[C@H]1CN(C(=O)OCC)N(C(=O)OCC)[C@H]1CCc1ccccc1 ZINC000001860396 EH Annotated Mild O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)N[C@@H]3CCCC[C@@H]3N12 ZINC000001862000 EH Annotated Anodyne O=C1c2ccccc2[C@]2(c3ccc(Cl)cc3)N[C@@H]3CCCC[C@@H]3N12 ZINC000001862001 EH Annotated Anodyne O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)N[C@H]3CCCC[C@@H]3N12 ZINC000001862002 EH Annotated Anodyne O=C1c2ccccc2[C@]2(c3ccc(Cl)cc3)N[C@H]3CCCC[C@@H]3N12 ZINC000001862003 EH Annotated Anodyne O=c1c2ccccc2nc2sc(/N=C/C=C/c3ccccc3)nn12 ZINC000001862816 EH Annotated Mild C[C@H]1CC(N2CCOCC2)=Nc2ccccc2N1Cc1ccccc1 ZINC000001863745 EH Annotated Anodyne Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@H](C)N ZINC000001864281 EH Annotated Anodyne CCO[C@H]1CC(=O)c2c(Br)sc(Br)c21 ZINC000001864350 EH Annotated Anodyne Nc1ccc2c(c1)C(=O)/C(=C/c1cc(Cl)c(O)c(Cl)c1)C2=O ZINC000001902844 EH Annotated Mild CC/N=c1\sc2cc(OC(F)(F)F)ccc2n1CCSC ZINC000001905544 EH Annotated Anodyne N#Cc1ccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1 ZINC000001916185 EH Annotated Mild CC1=C2CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O ZINC000015049265 EH Annotated Anodyne CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O ZINC000015049268 EH Annotated Anodyne CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC/C(C)=C/[C@@H]2OC1=O ZINC000015049274 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]12 ZINC000015052197 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1C=C(C)CC[C@@]2(O)[C@@H](C(C)C)C(=O)C[C@@]12C ZINC000015052324 EH Annotated Anodyne in-vitro biogenic C=C(CC[C@]1(C)C2=CCC[C@@](C)(C(=O)O)[C@H]2CC[C@H]1C)[C@@H](O)CO ZINC000015060290 EH Annotated Mild C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000015060841 EH Annotated Mild COc1cc(C)ccc1OCc1nc(C(=O)N2CCCCCC2)co1 ZINC000015062435 EH Annotated Anodyne CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(Cl)cc2)C1 ZINC000015062643 EH Annotated Anodyne CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(Cl)cc2)C1 ZINC000015062645 EH Annotated Anodyne Cc1c([C@@H](C)NCc2ccc3nonc3c2)cnn1-c1ccccc1 ZINC000015074389 EH Annotated Anodyne Cc1c([C@H](C)NCc2ccc3nonc3c2)cnn1-c1ccccc1 ZINC000015074390 EH Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000015107429 EH Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000015107432 EH Annotated Mild in-man C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000015107435 EH Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000015107438 EH Annotated Mild in-man C=C(C)[C@H](O)CC/C(C)=C/COc1ccc(/C=C\CO)cc1OC ZINC000015113513 EH Annotated Mild CC(C)(O)CCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2 ZINC000015115019 EH Annotated Anodyne CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@@H](CO)c2c(O)cc(C(=O)O)cc21 ZINC000015116887 EH Annotated Anodyne CC1(C)[C@@H](COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2CC[C@@H]1C2 ZINC000015119512 EH Annotated Bother C=C(C)C(=O)CC/C(C=O)=C\COc1cc(=O)oc2cccc(C)c12 ZINC000015120631 EH Annotated Reactive C=CC(C)(C)c1cc(O)c(OC)c2c(=O)c3ccc(O)c(O)c3oc12 ZINC000015121017 EH Annotated Mild C=CC(C)(C)c1cc(O)c(OC)c2c(=O)c3c(O)ccc(O)c3oc12 ZINC000015121020 EH Annotated Mild in-vitro C=CC(C)(C)c1cc([C@@H]2COc3cc(O)ccc3C2)c(O)cc1O ZINC000015121032 EH Annotated Mild C=CC(C)(C)c1cc([C@H]2COc3cc(O)ccc3C2)c(O)cc1O ZINC000015121033 EH Annotated Mild C=C1CC(=O)/C=C(/C)C(=O)C[C@H](C(=C)C)CCC2=C[C@H](C1)OC2=O ZINC000015121683 EH Annotated Mild O=c1c2c(oc3cc4occc4cc13)COc1cc3c(cc1-2)OCO3 ZINC000015147388 EH Annotated Anodyne CC1=C2CCC=C3C(=O)OC[C@]32CCC2=C1[C@H](c1ccoc1)OC2=O ZINC000015148281 EH Annotated Anodyne COc1cccc2c3c4c5c(cc6c(c5c12)OCO6)CCN4COC3 ZINC000015148292 EH Annotated Bother C=C1C[C@@H](O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC(=O)c1ccoc1 ZINC000015158622 EH Annotated Mild CC(C)=CC(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@H]2O[C@]12C ZINC000015160702 EH Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3CC(=O)c4c(coc4CO)[C@@H]3[C@@H](O)C[C@@H]12 ZINC000015161680 EH Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@H]1O[C@]1(C)CC/C=C(\C)CC[C@@H]2O ZINC000015161696 EH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@H]1O[C@@]1(C)CC/C=C(\C)CC[C@@H]2O ZINC000015161698 EH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@@H]1O[C@@]1(C)CC/C=C(\C)CC[C@@H]2O ZINC000015161701 EH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@H]1O[C@@]1(C)CC/C=C(\C)CCC2=O ZINC000015161713 EH Annotated Mild C=C1C(=O)O[C@H]2C(=O)[C@H](C)CCC/C(C)=C\CC[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000015161740 EH Annotated Mild C/C1=C/CC[C@@](C)(O)[C@H]2C[C@@H](CC[C@@]3(C)O[C@@H]3CC1)[C@@H](C)C(=O)O2 ZINC000015161792 EH Annotated Anodyne C/C1=C/CC[C@@](C)(O)[C@H]2C[C@@H](CC[C@@]3(C)O[C@@H]3CC1)[C@H](C)C(=O)O2 ZINC000015161794 EH Annotated Anodyne C=C1C(=O)O[C@H]2C(=O)/C(C)=C/CC/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000015161923 EH Annotated Mild C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)C[C@@](O)(C(=O)O)C(C)(C)[C@H]3CC[C@@]2(C)O1 ZINC000015163120 EH Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1O[C@@H](O)C=C1C(=O)O ZINC000015164556 EH Annotated Mild CC[C@@H](C)C(=O)OCc1ccc([C@]2(C)CO2)c(OC(=O)C(C)C)c1 ZINC000015169428 EH Annotated Anodyne CC(C)CC(=O)OCc1ccc([C@]2(C)CO2)c(OC(=O)C(C)C)c1 ZINC000015169434 EH Annotated Anodyne Cc1ccc([C@]2(COC(=O)CC(C)C)CO2)c(OC(=O)CC(C)C)c1 ZINC000015169444 EH Annotated Anodyne COC(=O)[C@@]1(CCc2ccoc2)[C@H]2CC(=O)C=C(C)[C@@H]2CC[C@H]1C ZINC000015170021 EH Annotated Mild C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000015193728 EH Annotated Anodyne COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1[C@]3(C)CCC[C@]21OC3 ZINC000015198831 EH Annotated Anodyne Oc1cc(Br)cc2c1[nH]c1c(C3=NCCC3)nccc12 ZINC000015209748 EH Annotated Anodyne CC(C)=CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2 ZINC000015216798 EH Annotated Anodyne C=CC(C)(C)[C@]12CC[N+](C)([O-])[C@H]1Nc1cc(Br)ccc12 ZINC000015217237 EH Annotated Mild COc1c(C)c(O)c(C=O)c2c1[C@H](OC)C[C@@H](c1ccccc1)O2 ZINC000015217555 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@]12O ZINC000015220240 EH Annotated Anodyne COc1cc2c(OC)c3ccoc3nc2cc1OC[C@H]1OC1(C)C ZINC000015222505 EH Annotated Anodyne COc1cc2nc3occc3c(OC)c2cc1OC[C@H]1OC1(C)C ZINC000015222511 EH Annotated Anodyne in-vitro biogenic CN(C)c1ccc(/C=C(\C#N)c2n[nH]c(Cc3ccccc3)n2)cc1 ZINC000015227964 EH Annotated Reactive COc1cc2ccc1Oc1cc(ccc1O)[C@H](O)CC(=O)CCCC2 ZINC000015251169 EH Annotated Anodyne in-man endogenous COc1cc2ccc1Oc1cc(ccc1O)[C@@H](O)CC(=O)CCCC2 ZINC000015251173 EH Annotated Anodyne in-man endogenous C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)C(=C(C)C)C(=O)/C=C(\C)C(=O)C1 ZINC000015256114 EH Annotated Mild C=CC(C)(C)c1cc(O)c(OC)c2c(=O)c3cccc(O)c3oc12 ZINC000015258154 EH Annotated Mild in-vitro biogenic O=C1CCCCCCCCCCCCCCC(=O)O[C@H](CO)CO1 ZINC000015261839 EH Annotated Anodyne O=C1CCCCCCCCCCCCCCC(=O)OCC(O)CO1 ZINC000015261841 EH Annotated Anodyne COc1c(O)c2c3c(c(C)c4cc(O)ccc4c3c1OC)N(C)CC2 ZINC000015263102 EH Annotated Bother COc1cc(O)cc(C)c1C(=O)c1c(OC)cc(C)c(Cl)c1O ZINC000015264035 EH Annotated Anodyne C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(O)ccc(O)c3cc12 ZINC000015266375 EH Annotated Anodyne C=CC(C)(C)Oc1c(OC)c(=O)oc2cc3occc3c(OC)c12 ZINC000015266385 EH Annotated Mild CC1=CC(=O)CC(C)(C)[C@]1(O)CCC1=CC[C@H](c2ccoc2)OC1=O ZINC000015268030 EH Annotated Mild Brc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000150000753 EH Annotated Anodyne Cc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)cc1Br ZINC000150016936 EH Annotated Anodyne CNCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000150199785 EH Annotated Anodyne NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)s1 ZINC000150201631 EH Annotated Anodyne CN1Cc2c(C#Cc3ccccc3)ncn2-c2cccc(Cl)c2C1=O ZINC000150222959 EH Annotated Anodyne O=C(O)c1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1 ZINC000150366396 EH Annotated Anodyne CC1=C(C)[C@@H]2CC(=O)c3c(O)c(C(C)C)c(O)c(O)c3[C@@]2(C)CC1=O ZINC000153641476 EH Annotated Mild COc1cc(/C=C/C(=O)Nc2nc3c(s2)CCCC3)cc(OC)c1 ZINC000015586220 EH Annotated Anodyne O=c1c(NCc2cccs2)nccn1-c1ccc(F)c(Cl)c1 ZINC000015732414 EH Annotated Anodyne c1ccc(N/N=C(/Cn2nnc3ccccc32)c2ccccc2)cc1 ZINC000015767999 EH Annotated Mild C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc2ccccc2c1O ZINC000015879920 EH Annotated Reactive C/C(=N/Nc1nccnc1Cl)c1ccc(Br)cc1 ZINC000015919543 EH Annotated Mild Cc1cc(Sc2nnc(/N=C\N(C)C)s2)c2ccccc2n1 ZINC000015923533 EH Annotated Mild COc1cccc2cc(C(N)=O)/c(=N/c3cccc4ccccc34)oc12 ZINC000015931373 EH Annotated Anodyne Cn1c2ccccc2c(=O)c2ccc(C#CC3(N)CCCCC3)cc21 ZINC000015933811 EH Annotated Mild CCC1=C(c2cc(OC)c(OC)c(OC)c2)C2(CCCC2)C(=O)O1 ZINC000015934032 EH Annotated Anodyne COc1cccc2oc3cc(C#Cc4ccccn4)ccc3c(=O)c12 ZINC000015934056 EH Annotated Mild COc1cccc2oc3ccc(C#CC4(N)CCCCC4)cc3c(=O)c12 ZINC000015934057 EH Annotated Mild COc1cccc2oc3ccc(C#Cc4ccccn4)cc3c(=O)c12 ZINC000015934058 EH Annotated Mild Cn1c2ccccc2c(=O)c2cc(C#CC3(O)CCCCC3)ccc21 ZINC000015935095 EH Annotated Mild Cn1c2ccccc2c(=O)c2ccc(C#CC3(O)CCCCC3)cc21 ZINC000015935753 EH Annotated Mild CN(C)c1ccc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cn1 ZINC000015935759 EH Annotated Clean CCOc1cc(-c2sc(Nc3ccccc3)n[n+]2C)ccc1OC ZINC000015936257 EH Annotated Anodyne CC(C)CNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952403 EH Annotated Clean CC(C)CNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952404 EH Annotated Clean CC(C)CNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000015952405 EH Annotated Clean CC(C)CNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]12 ZINC000015952406 EH Annotated Clean CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@H]2c3ccccc3C[C@H]12 ZINC000015952463 EH Annotated Anodyne CCOC(=O)[C@H]1Nc2c(F)cc(C)cc2[C@H]2c3ccccc3C[C@H]12 ZINC000015952464 EH Annotated Anodyne CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@@H]2c3ccccc3C[C@@H]21 ZINC000015952465 EH Annotated Anodyne CCOC(=O)[C@H]1Nc2c(F)cc(C)cc2[C@@H]2c3ccccc3C[C@H]12 ZINC000015952466 EH Annotated Anodyne CCOC1=C/C(=C/C=C2/C=Cc3cccc([N+](=O)[O-])c3N2)C=CC1=O ZINC000015973735 EH Annotated Mild O=C1/C(=C/NNC(=O)c2cccc3ccccc23)Sc2ccccc21 ZINC000015974039 EH Annotated Reactive CC1=C(C/C(C)=C/c2ccccc2)/C(=C/CO)[C@H](O)[C@](C)(O)C12CC2 ZINC000015974381 EH Annotated Anodyne Cc1occc1C(=O)N/N=C\C(Br)=C\c1ccccc1 ZINC000015986245 EH Annotated Reactive O=C(N/N=C\c1cnc(N2CCCCC2)s1)c1ccc(Cl)cc1 ZINC000015987517 EH Annotated Reactive Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C\c1ccccc1 ZINC000015987690 EH Annotated Mild C/C=C1/C(=O)O[C@@H](c2ccoc2)/C1=C(\C)c1cccc2c1COC2=O ZINC000155873047 EH Annotated Anodyne C=C[C@@](C)(O)CC(=O)C[C@H](C)CC/C=C(\C)[C@H](O)C(=O)C=C(C)C ZINC000156116010 EH Annotated Mild CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC[C@@](C)(O)/C=C/2OC1=O ZINC000156733022 EH Annotated Anodyne C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C/C=C/C(C)(C)O)[C@@H](OC)OC[C@@H]12 ZINC000157161710 EH Annotated Mild O=C(O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000016035064 EH Annotated Anodyne in-vitro S=c1s/c(=N\c2ccc(Br)cc2)n2n1CCCC2 ZINC000016343465 EH Annotated Anodyne in-vitro N#Cc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN)cc1 ZINC000164922057 EH Annotated Anodyne Cc1cc2c(s1)c(=O)[nH]c1ccc(O)c(-c3ccc(CN)cc3)c12 ZINC000164931808 EH Annotated Anodyne N[C@@H]1Cc2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2C1 ZINC000164978189 EH Annotated Anodyne N[C@H]1Cc2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2C1 ZINC000164978274 EH Annotated Anodyne Cc1nn(C[C@@H](C)C(=O)Nc2ccccc2)c(C)c1Br ZINC000164981279 EH Annotated Anodyne Cc1nn(C[C@H](C)C(=O)Nc2ccccc2)c(C)c1Br ZINC000164981408 EH Annotated Anodyne COc1cc(/C=C2\Sc3ccccc3C2=O)c([N+](=O)[O-])cc1OC ZINC000016512478 EH Annotated Mild S=C(Cc1nc(-c2cccc(Cl)c2)cs1)N1CCOCC1 ZINC000016940176 EH Annotated Anodyne Cc1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1C ZINC000016940190 EH Annotated Anodyne CC(C)[C@H]1NC(=O)C[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 ZINC000016953243 EH Annotated Anodyne COc1ccccc1N1[C@@H](c2c[nH]c3ccccc23)C(=O)[C@H]1Cl ZINC000016958254 EH Annotated Reactive COc1cccc(N2[C@@H](c3c[nH]c4ccccc34)C(=O)[C@H]2Cl)c1 ZINC000016958255 EH Annotated Reactive OC1CCN(CC2CCN([C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000165596266 EH Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@H]1C=C(C=O)[C@H](CO)OO1 ZINC000165949310 EH Annotated Reactive O=c1[nH]c2ccc(O)c(-c3ccc4cn[nH]c4c3)c2c2ccsc12 ZINC000165951635 EH Annotated Anodyne C#C/C=C/C[C@@H]1O[C@@H]2C[C@@H](Br)[C@H](CC)O[C@@H]2C[C@@H]1Cl ZINC000165973223 EH Annotated Reactive C#C/C=C\C[C@@H](Cl)[C@H]1C[C@H]2O[C@H]2C[C@H]([C@H](Br)CC)O1 ZINC000166191293 EH Annotated Reactive CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC[C@@](C)(O)/C=C\2OC1=O ZINC000166393322 EH Annotated Anodyne CC1=C2CC/C(C)=C/CC[C@@]3(C)O[C@H]3CC[C@](C)(O)/C=C\2OC1=O ZINC000166393425 EH Annotated Anodyne CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC[C@](C)(O)/C=C\2OC1=O ZINC000166393535 EH Annotated Anodyne CC(C)C1=CC(=O)[C@@]2(C)C(=O)C[C@@]3(C)C=C[C@@](C)(OO)CC[C@@H]3[C@@H]12 ZINC000166576860 EH Annotated Reactive CC(C)C1=CC(=O)[C@@]2(C)[C@@H](O)C[C@@]3(C)C=C[C@@](C)(OO)CC[C@@H]3[C@@H]12 ZINC000166577655 EH Annotated Reactive CC1=C2C[C@@H](O)[C@@]3(C)CC[C@@H](O3)[C@@H](C)CC/C=C(\C)C[C@H]2OC1=O ZINC000166636834 EH Annotated Anodyne CC1=C2C[C@@H](O)[C@@]3(C)CC[C@@H](O3)[C@@H](C)CC/C=C(/C)C[C@H]2OC1=O ZINC000166636959 EH Annotated Anodyne C[C@H]1CC[C@@H](NCCc2nc(-c3cn(C)c4ccccc34)no2)CC1 ZINC000166751648 EH Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@@]1(O)C=CC(C)(C)OO1 ZINC000166782065 EH Annotated Reactive C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@]1(O)C=CC(C)(C)OO1 ZINC000166782173 EH Annotated Reactive Clc1ccc(Cn2nc(-c3nnn[nH]3)c3ccccc32)c(Cl)c1 ZINC000167730866 EH Annotated Anodyne C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2 ZINC000168708964 EH Annotated Bother CC(C)(C)n1c(-c2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169234360 EH Annotated Anodyne CC(C)(C)n1c(-c2ccccn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169245755 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 ZINC000169290088 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 ZINC000169290089 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000169290114 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000169290115 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000169290116 EH Annotated Anodyne CC1=C2CC[C@H](C)[C@@H]3CC[C@](C)(O)[C@H](CC/C(C)=C\[C@@H]2OC1=O)O3 ZINC000169290279 EH Annotated Anodyne CCCCC/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H]1C/C=C/CCCC(=O)O1 ZINC000169290287 EH Annotated Anodyne CC/C=C\C/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H]1C/C=C/CCCC(=O)O1 ZINC000169290327 EH Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC/C=C(/C)CC[C@@H]2O ZINC000169290582 EH Annotated Mild C/C1=C/C(=O)CC2=C[C@@H](OC2=O)[C@@H](C(C)C)CC(=O)/C(C)=C\CC1 ZINC000169290655 EH Annotated Mild C/C1=C/C=C\[C@H](C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 ZINC000169290690 EH Annotated Anodyne C/C1=C\C=C/[C@H](C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 ZINC000169290691 EH Annotated Anodyne C/C1=C\C=C\[C@H](C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 ZINC000169290692 EH Annotated Anodyne CCN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000169291062 EH Annotated Anodyne C/C1=C\C(=O)CC2=C[C@@H](OC2=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC1 ZINC000169291396 EH Annotated Mild C/C1=C/CC/C(C)=C/C(=O)CC2=C[C@@H](OC2=O)[C@H](C(C)C)CC1=O ZINC000169291397 EH Annotated Mild C/C1=C/C(=O)CC2=C[C@@H](OC2=O)[C@H](C(C)C)CC(=O)/C(C)=C\CC1 ZINC000169291398 EH Annotated Mild CC1=C2CC/C(C)=C\C[C@H](O)[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O ZINC000169291546 EH Annotated Anodyne CC1=C2CC/C(C)=C\C[C@H](O)[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O ZINC000169291547 EH Annotated Anodyne CC1=C2CC/C(C)=C/C[C@H](O)[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O ZINC000169291548 EH Annotated Anodyne Clc1ccc(N2C[C@@H]3C[C@@H]2CN3Cc2c[nH]c3ncccc23)cc1 ZINC000169292910 EH Annotated Anodyne CC1(C)C[C@@H]([C@]23C=C[C@@](CO)(CCC2)OO3)CC[C@@H]1Br ZINC000169292935 EH Annotated Reactive CC1(C)C[C@H]([C@]23C=C[C@@](CO)(CCC2)OO3)CC[C@@H]1Br ZINC000169292936 EH Annotated Reactive CC1=C2CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O ZINC000169292951 EH Annotated Anodyne CC1=C2CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O ZINC000169292952 EH Annotated Anodyne CC1=C2CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O ZINC000169292953 EH Annotated Anodyne CC1=C2C[C@H](O)/C(C)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O ZINC000169293419 EH Annotated Anodyne CC1=C2C[C@H](O)/C(C)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O ZINC000169293420 EH Annotated Anodyne CC1=C2C[C@H](O)/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O ZINC000169293421 EH Annotated Anodyne CC/C=C\C/C=C\C[C@H](O)[C@H](O)/C=C/[C@@H]1C/C=C/CCCC(=O)O1 ZINC000169293431 EH Annotated Anodyne CC1=C2CC[C@H](C)[C@H]3CC[C@](C)(O)[C@H](CC/C(C)=C\[C@@H]2OC1=O)O3 ZINC000169293507 EH Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(C)o2)cc1Cl ZINC000169293902 EH Annotated Anodyne C/C1=C/CC[C@@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H](C(C)C)CC1=O ZINC000169294028 EH Annotated Mild O=C(N[C@@H]1CCCc2ccccc21)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000169294322 EH Annotated Anodyne O=C(N[C@H]1CCCc2ccccc21)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000169294323 EH Annotated Anodyne CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H]2C(=O)O ZINC000169294815 EH Annotated Anodyne CO[C@H]([C@H](C)[C@@H](OC)c1ccccc1)[C@@H](C)[C@@H](OC)[C@@H](C)C(C)=O ZINC000169295194 EH Annotated Anodyne CO[C@H](c1ccccc1)[C@@H](C)[C@@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)C(C)=O ZINC000169295196 EH Annotated Anodyne CO[C@H](c1ccccc1)[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)C(C)=O ZINC000169295197 EH Annotated Anodyne O=C1CS[C@H](c2ccccc2)N1CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000169295355 EH Annotated Anodyne COc1ccc([C@@H]2[C@@H](C#N)c3ccccc3C(=N)C2(C#N)C#N)cc1 ZINC000169295756 EH Annotated Mild COc1ccc([C@H]2[C@@H](C#N)c3ccccc3C(=N)C2(C#N)C#N)cc1 ZINC000169295757 EH Annotated Mild COC1=C[C@@H]2[C@@H](C=C1)Sc1ccccc1N2C[C@H](C)CN(C)C ZINC000169296095 EH Annotated Anodyne COC1=C[C@@H]2[C@H](C=C1)Sc1ccccc1N2C[C@H](C)CN(C)C ZINC000169296096 EH Annotated Anodyne CC(=O)O[C@@]1(C#Cc2cccc3ccccc23)C[C@@H](C)N(C)C[C@@H]1C ZINC000169296689 EH Annotated Mild CC(=O)O[C@]1(C#Cc2cccc3ccccc23)C[C@@H](C)N(C)C[C@@H]1C ZINC000169296690 EH Annotated Mild CC(=O)O[C@@]1(C#Cc2cccc3ccccc23)C[C@H](C)N(C)C[C@@H]1C ZINC000169296691 EH Annotated Mild CC(=O)O[C@]1(C#Cc2cccc3ccccc23)C[C@H](C)N(C)C[C@@H]1C ZINC000169296692 EH Annotated Mild COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000169299085 EH Annotated Anodyne C1=N\c2ncccc2OCCOc2cccnc2/N=C\c2ccccc2/1 ZINC000169299135 EH Annotated Anodyne C1=N\c2ncccc2OCCOc2cccnc2/N=C/c2ccccc2/1 ZINC000169299136 EH Annotated Anodyne CCOC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169299738 EH Annotated Clean CCOC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169299739 EH Annotated Clean COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccccc2Cl)cc1 ZINC000169300702 EH Annotated Anodyne C=CC[C@H](O)C[C@H]1C2[C@H](OC(C)(C)C)C3[C@H]1[C@H]3[C@H]2C[C@H](O)CC=C ZINC000169301591 EH Annotated Mild C=CC[C@H](O)C[C@H]1C2[C@H](OC(C)(C)C)C3[C@H]1[C@H]3[C@H]2C[C@@H](O)CC=C ZINC000169301593 EH Annotated Mild C=CC[C@H](O)C[C@H]1C2[C@H](OC(C)(C)C)C3[C@H]([C@@H]2C[C@H](O)CC=C)[C@H]31 ZINC000169301595 EH Annotated Mild C=CC[C@H](O)C[C@@H]1C2[C@H](OC(C)(C)C)C3[C@H]1[C@H]3[C@H]2C[C@@H](O)CC=C ZINC000169301597 EH Annotated Mild CC(C)CNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169301981 EH Annotated Clean CC(C)CNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169301983 EH Annotated Clean CN1CC[C@]2(c3cccc(O)c3)C/C(=N/Nc3ccccc3)C[C@@H]1C2 ZINC000169306040 EH Annotated Mild Cc1ccc(-c2cc3c(=N)n(N)c(=S)[nH]c3n2-c2ccccc2)cc1 ZINC000169306578 EH Annotated Anodyne CCCCCCC#C[C@@H]1C=C[C@@H](Oc2ccc(C=O)cc2)[C@@H](CO)O1 ZINC000169306855 EH Annotated Mild CCCCCCC#C[C@H]1C=C[C@@H](Oc2ccc(C=O)cc2)[C@@H](CO)O1 ZINC000169306856 EH Annotated Mild c1ccc(CN[C@H](c2ccc[nH]2)c2nnc(-c3ccccc3)o2)cc1 ZINC000169307874 EH Annotated Anodyne c1ccc(CN[C@@H](c2ccc[nH]2)c2nnc(-c3ccccc3)o2)cc1 ZINC000169307875 EH Annotated Anodyne Fc1cc(Cl)c(-c2nn3c(-c4ccncc4)nnc3s2)cc1F ZINC000169307933 EH Annotated Anodyne COc1cc(N(C)c2ccc3c(ccn3C)c2)cc(OC)c1OC ZINC000169309717 EH Annotated Anodyne Cn1c(=N)n(CCOc2ccc(Cl)cc2)c2ccc(Cl)cc21 ZINC000169310420 EH Annotated Anodyne Cn1c(=N)n(CCOc2ccc(Cl)cc2)c2cc(Cl)ccc21 ZINC000169310423 EH Annotated Anodyne Cc1cc([C@@](C)(O)c2ccc(F)cc2)nc(Nc2ccc(C#N)cc2)n1 ZINC000169310979 EH Annotated Mild Cc1cc([C@](C)(O)c2ccc(F)cc2)nc(Nc2ccc(C#N)cc2)n1 ZINC000169310980 EH Annotated Mild O=c1[nH][nH]c(-c2ccc(F)cc2)c1Cc1c(O)ccc2ccccc12 ZINC000169311762 EH Annotated Anodyne Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3ncccc23)cc1 ZINC000169311776 EH Annotated Anodyne CC1=CC[C@H](C(C)(C)NC(=S)N/N=C/c2ccc(O)cc2)CC1 ZINC000169312740 EH Annotated Mild CC1=CC[C@H](C(C)(C)NC(=S)N/N=C/c2ccccc2O)CC1 ZINC000169312742 EH Annotated Mild CC(=O)[C@]12[C@@H]3[C@@H](CCN3C(=O)N[C@@H]1c1ccccc1)[C@@H]2c1ccccc1 ZINC000169313519 EH Annotated Anodyne CC(=O)[C@@]12[C@@H]3[C@@H](CCN3C(=O)N[C@@H]1c1ccccc1)[C@@H]2c1ccccc1 ZINC000169313520 EH Annotated Anodyne CC(=O)[C@@]12[C@H](c3ccccc3)[C@@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@@H]32 ZINC000169313521 EH Annotated Anodyne CC(=O)[C@]12[C@H](c3ccccc3)[C@@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@@H]32 ZINC000169313522 EH Annotated Anodyne Sc1ccc(N(CCBr)CCBr)cc1 ZINC000169315117 EH Annotated Reactive CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O ZINC000169315249 EH Annotated Anodyne CC1=C2CC/C(C)=C\CC[C@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O ZINC000169315251 EH Annotated Anodyne CC1=C2CC/C(C)=C\CC[C@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O ZINC000169315252 EH Annotated Anodyne O=C(/N=C1\N[C@@]2(CCCCO2)CCS1)C12CC3CC(CC(C3)C1)C2 ZINC000169316207 EH Annotated Mild O=C(/N=C1\N[C@]2(CCCCO2)CCS1)C12CC3CC(CC(C3)C1)C2 ZINC000169316208 EH Annotated Mild Cc1cc(C)c(C(=O)/N=C2\N[C@@]3(CCCCO3)CCS2)c(C)c1 ZINC000169316220 EH Annotated Mild Cc1cc(C)c(C(=O)/N=C2\N[C@]3(CCCCO3)CCS2)c(C)c1 ZINC000169316221 EH Annotated Mild O=C(/N=C1\N[C@@]2(CCCCO2)CCS1)c1cccc2ccccc12 ZINC000169316256 EH Annotated Mild O=C(/N=C1\N[C@]2(CCCCO2)CCS1)c1cccc2ccccc12 ZINC000169316257 EH Annotated Mild CN1C[C@@H](c2ccc3c(c2)OCO3)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 ZINC000169317783 EH Annotated Anodyne CN1C[C@H](c2ccc3c(c2)OCO3)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 ZINC000169317785 EH Annotated Anodyne C/C(=N\NC(=S)Nc1ccccc1Br)c1ccccn1 ZINC000169318112 EH Annotated Mild CC(C)(C)c1nc(NC(=O)CCCC(=O)O)ncc1-c1ccccc1 ZINC000169318544 EH Annotated Anodyne COc1cccc2c1sc1ccc3[nH]c(C(=O)O)cc(=O)c3c12 ZINC000169319949 EH Annotated Bother COc1cc2[nH]c(C(=O)O)cc(=O)c2c2c1sc1ccccc12 ZINC000169319953 EH Annotated Bother COC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169320820 EH Annotated Mild COC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169320823 EH Annotated Mild COC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169321089 EH Annotated Mild COC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169321092 EH Annotated Mild CN1CCC(=C2c3ccccc3C3=C(C(=O)OC3)c3ccccc32)CC1 ZINC000169321197 EH Annotated Anodyne N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc2c(c1)OCC2 ZINC000169321261 EH Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc2c(c1)OCC2 ZINC000169321263 EH Annotated Reactive OCn1c(-c2ccccn2)nc2cc(N=C=S)c(N=C=S)cc21 ZINC000169321335 EH Annotated Reactive Cn1c(-c2cccc[n+]2C)nc2cc(N=C=S)c(N=C=S)cc21 ZINC000169321338 EH Annotated Reactive C1CCN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)C1 ZINC000169321450 EH Annotated Reactive CCCCCCCCNc1cc(C)nc2c(C(=O)OCC)cnn12 ZINC000169321660 EH Annotated Mild c1ccc(CN2CCc3c(ccnc3NCc3cccnc3)C2)cc1 ZINC000169322439 EH Annotated Anodyne CCOC(=O)c1c(OC)c(-c2ccc(C(C)(C)C)cc2)c[nH]c1=O ZINC000169322534 EH Annotated Anodyne Cn1/c(=N/C=C/c2sc3ccccc3[n+]2C)sc2ccccc21 ZINC000169323925 EH Annotated Anodyne CN(C)CCCNc1ccc2cc(C#N)c3nc4ccccc4n3c2c1 ZINC000169324022 EH Annotated Mild COc1ccccc1[C@@H]1N(c2cccc([S@@](C)=O)c2)C(=O)C1(C)C ZINC000169324202 EH Annotated Anodyne COc1ccccc1[C@H]1N(c2cccc([S@@](C)=O)c2)C(=O)C1(C)C ZINC000169324203 EH Annotated Anodyne COc1ccccc1[C@@H]1N(c2cccc([S@](C)=O)c2)C(=O)C1(C)C ZINC000169324206 EH Annotated Anodyne COc1ccccc1[C@H]1N(c2cccc([S@](C)=O)c2)C(=O)C1(C)C ZINC000169324207 EH Annotated Anodyne COc1ccc(N2C(=O)C(C)(C)[C@@H]2c2cccc3nccnc23)cc1 ZINC000169324234 EH Annotated Anodyne COc1ccc(N2C(=O)C(C)(C)[C@H]2c2cccc3nccnc23)cc1 ZINC000169324237 EH Annotated Anodyne C[N+](C)(C)CCCN1C(=O)/C(=C/c2ccccc2)Oc2ccccc21 ZINC000169324468 EH Annotated Bother CN(C)CCCCN1C(=O)/C(=C/c2ccccc2)Oc2ccccc21 ZINC000169324482 EH Annotated Anodyne CN(C)CCCN1N=C(c2ccccc2)CC2=C1CC(C)(C)CC2=O ZINC000169325227 EH Annotated Mild O=C(CCNC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000169326607 EH Annotated Bother O=C(Cn1cc(Cc2csc3ccccc23)nn1)Nc1ccccc1 ZINC000169327269 EH Annotated Anodyne C=CCN1C(=O)C(c2ccccc2)=C2c3cc(OC)ccc3CC[C@@H]21 ZINC000169328322 EH Annotated Mild C=CCN1C(=O)C(c2ccccc2)=C2c3cc(OC)ccc3CC[C@H]21 ZINC000169328324 EH Annotated Mild CN(C)c1cccc(-n2c(N)nc3ccc(Nc4cccnc4)cc32)c1 ZINC000169328347 EH Annotated Anodyne CN(C)c1cccc(-n2c(N)nc3ccc(Nc4ccncc4)cc32)c1 ZINC000169328349 EH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc2c(c1)Nc1ccccc1CC2 ZINC000169330437 EH Annotated Anodyne CC(C)CC/C=C/C=C/C(=O)Nc1cc(CCC(=O)O)c(O)cc1O ZINC000169330549 EH Annotated Anodyne CC(C)CC/C=C/C=C/C(=O)Nc1cc(CCC(=O)O)ccc1O ZINC000169330550 EH Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1oc2ccccc2c1C ZINC000169330729 EH Annotated Anodyne O=Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)c(O)c1 ZINC000169330888 EH Annotated Anodyne O=c1nc2ccc(Br)cn2cc1Cc1ccc(Cl)cc1 ZINC000169331040 EH Annotated Anodyne CCCCOc1ccc2c(n1)CCN(c1ccc(F)cc1F)C2=O ZINC000169331105 EH Annotated Anodyne CC(=O)N1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@@H]1c1ccccc1 ZINC000169331872 EH Annotated Anodyne CC(=O)N1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@@H]1c1ccccc1 ZINC000169331873 EH Annotated Anodyne C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@@H]3O[C@]312 ZINC000169332244 EH Annotated Mild O=C(Nc1cc(N2CCCCC2)ncn1)c1cc2ccccc2s1 ZINC000169332645 EH Annotated Anodyne CC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000169333229 EH Annotated Anodyne CC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000169333231 EH Annotated Anodyne COC(=O)C1=C[C@@]2(c3ccc(OC)cc3[C@@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 ZINC000169333312 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 ZINC000169333315 EH Annotated Anodyne COC(=O)C1=C[C@@]2(c3ccc(OC)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 ZINC000169333316 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 ZINC000169333319 EH Annotated Anodyne OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23 ZINC000169333627 EH Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(F)cccc12 ZINC000169334857 EH Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(F)cccc12 ZINC000169334859 EH Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(F)cccc12 ZINC000169334860 EH Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(F)cccc12 ZINC000169334862 EH Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(F)cc12 ZINC000169334865 EH Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(F)cc12 ZINC000169334867 EH Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(F)cc12 ZINC000169334868 EH Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(F)cc12 ZINC000169334870 EH Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)C[C@H](O)c1ccoc1 ZINC000169336329 EH Annotated Anodyne CCCCN(CCCC)CCn1c(=O)ccc2c(C)cc(C)nc21 ZINC000169336340 EH Annotated Anodyne CCCc1cc(=O)oc2cc(OC(C)=O)c3c(c12)OC(C)(C)C=C3 ZINC000169336464 EH Annotated Anodyne O=C(O[C@@H]1CC[C@H]2CC[C@H]1N2)C(O)(C1CCCCC1)C1CCCCC1 ZINC000169336897 EH Annotated Anodyne CCCCCCCSC(=S)N(C)NC(=O)c1ccccn1 ZINC000169336967 EH Annotated Reactive CC(C)(C)c1ccc(CS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000169337021 EH Annotated Clean C#CCOc1ccc(-c2noc(-c3ccc(Cl)cc3N)n2)cc1 ZINC000169337447 EH Annotated Mild C[C@@H](c1cccc(C(F)(F)F)c1)[S@@](=O)c1ccc(C(=O)O)nc1 ZINC000169337692 EH Annotated Anodyne C[C@H](c1cccc(C(F)(F)F)c1)[S@@](=O)c1ccc(C(=O)O)nc1 ZINC000169337693 EH Annotated Anodyne C[C@@H](c1cccc(C(F)(F)F)c1)[S@](=O)c1ccc(C(=O)O)nc1 ZINC000169337695 EH Annotated Anodyne C[C@H](c1cccc(C(F)(F)F)c1)[S@](=O)c1ccc(C(=O)O)nc1 ZINC000169337696 EH Annotated Anodyne CC[C@@H]1C[N+]2(c3ccnc4ccc(O[C@@H](C)CO)cc34)CCC1CC2 ZINC000169338023 EH Annotated Bother CC[C@H]1C[N+]2(c3ccnc4ccc(O[C@@H](C)CO)cc34)CCC1CC2 ZINC000169338024 EH Annotated Bother CC[C@@H]1C[N+]2(c3ccnc4ccc(O[C@H](C)CO)cc34)CCC1CC2 ZINC000169338025 EH Annotated Bother CC[C@H]1C[N+]2(c3ccnc4ccc(O[C@H](C)CO)cc34)CCC1CC2 ZINC000169338027 EH Annotated Bother COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 ZINC000169338039 EH Annotated Anodyne COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 ZINC000169338044 EH Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)[C@@H]1CC=Nc2c1cccc2C(F)(F)F ZINC000169338226 EH Annotated Anodyne O[C@H](C[C@H]1CCCCN1)[C@@H]1CC=Nc2c1cccc2C(F)(F)F ZINC000169338228 EH Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cccs2)S1)c1ccccc1 ZINC000169338341 EH Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cccs2)S1)c1ccccc1 ZINC000169338342 EH Annotated Anodyne CC(C)(O)c1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 ZINC000169338589 EH Annotated Anodyne O=c1cc(-c2ccc(Br)cc2)nc(NN=C2CCCC2)[nH]1 ZINC000169338789 EH Annotated Mild COc1cc2ccc([C@@](O)(c3cnco3)C(C)C)cc2cc1OC ZINC000169338900 EH Annotated Anodyne COc1cc2ccc([C@](O)(c3cnco3)C(C)C)cc2cc1OC ZINC000169338903 EH Annotated Anodyne COC(=O)C1=C[C@@]2(c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 ZINC000169339389 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 ZINC000169339392 EH Annotated Anodyne COC(=O)C1=C[C@@]2(c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 ZINC000169339395 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 ZINC000169339398 EH Annotated Anodyne CC[C@@H]1[C@@H](C)[C@@H](Cc2ccc(C(=O)NC(=N)N)cc2)CCC1(C)C ZINC000169339861 EH Annotated Anodyne COc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 ZINC000169340309 EH Annotated Anodyne Fc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 ZINC000169340318 EH Annotated Anodyne Fc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1 ZINC000169340325 EH Annotated Anodyne Clc1ncccc1-n1cc(CSc2nc3ccccc3o2)nn1 ZINC000169340334 EH Annotated Anodyne CC/C(=C\c1ccc(O[C@@H](C)C(=O)O)c(Cl)c1Cl)[N+](=O)[O-] ZINC000169340547 EH Annotated Anodyne CC/C(=C\c1ccc(O[C@H](C)C(=O)O)c(Cl)c1Cl)[N+](=O)[O-] ZINC000169340550 EH Annotated Anodyne CCCc1cc(=O)oc2cc(OCCCO)c3c(c12)OC(C)(C)C=C3 ZINC000169342064 EH Annotated Anodyne CCCc1cc(=O)oc2cc(NC(C)=O)c3c(c12)OC(C)(C)C=C3 ZINC000169342926 EH Annotated Anodyne Cc1cc(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1 ZINC000169342957 EH Annotated Bother Cc1c(F)c(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)CCC(C)(C)O1 ZINC000169342965 EH Annotated Bother c1ccc2c(c1)CCc1cccc3c1[C@H]2CN1CCC2(C[C@@H]31)OCCO2 ZINC000169343278 EH Annotated Anodyne CCCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 ZINC000169343309 EH Annotated Anodyne CC(C)OC(=O)[C@@H]1CC[C@@H](C)[C@@H](CCC[C@@H]2CC=C[C@@H](CC#N)O2)O1 ZINC000169343349 EH Annotated Mild CC(C)OC(=O)[C@H]1CC[C@@H](C)[C@@H](CCC[C@@H]2CC=C[C@@H](CC#N)O2)O1 ZINC000169343350 EH Annotated Mild CC(C)OC(=O)[C@@H]1CC[C@H](C)[C@@H](CCC[C@@H]2CC=C[C@@H](CC#N)O2)O1 ZINC000169343351 EH Annotated Mild CC(C)OC(=O)[C@H]1CC[C@H](C)[C@@H](CCC[C@@H]2CC=C[C@@H](CC#N)O2)O1 ZINC000169343352 EH Annotated Mild CC[C@@H](C)[C@@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000169343369 EH Annotated Anodyne CC[C@H](C)[C@@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000169343370 EH Annotated Anodyne CC[C@@H](C)[C@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000169343371 EH Annotated Anodyne CC[C@H](C)[C@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000169343372 EH Annotated Anodyne CC1(C)O[C@@](c2ccccc2)(c2ccc(Cl)cc2)/C(=N\O)C1=O ZINC000169343474 EH Annotated Mild CC1(C)O[C@](c2ccccc2)(c2ccc(Cl)cc2)/C(=N\O)C1=O ZINC000169343476 EH Annotated Mild C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(C)cc1C2=O ZINC000169343710 EH Annotated Mild C=C1C(=O)O[C@@H]2C(=O)[C@H](C)CCC/C(C)=C\CC[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000169343762 EH Annotated Mild COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)N2 ZINC000169345241 EH Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)N2 ZINC000169345242 EH Annotated Anodyne CN(C)C[C@@H](Br)c1ccc(F)c(Br)c1 ZINC000169345637 EH Annotated Reactive CN(C)C[C@H](Br)c1ccc(F)c(Br)c1 ZINC000169345638 EH Annotated Reactive COc1ccc(-c2ccccc2)c2cc(C(=O)N3CCOCC3)oc12 ZINC000169346537 EH Annotated Anodyne C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCN ZINC000169346918 EH Annotated Mild Cn1c([N+](=O)[O-])cnc1SCCCCCCCCCC(=O)O ZINC000169347023 EH Annotated Bother O=C1C[C@@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2 ZINC000169347277 EH Annotated Anodyne O=C1C[C@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2 ZINC000169347278 EH Annotated Anodyne O=C1O[C@@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2 ZINC000169347313 EH Annotated Anodyne O=C1O[C@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2 ZINC000169347314 EH Annotated Anodyne O=C1O[C@@H](c2cccc(Cl)c2)CN1c1ccc2c(c1)CCNCC2 ZINC000169347318 EH Annotated Anodyne O=C1O[C@H](c2cccc(Cl)c2)CN1c1ccc2c(c1)CCNCC2 ZINC000169347320 EH Annotated Anodyne O=C1O[C@@H](c2ccccc2Cl)CN1c1ccc2c(c1)CNCC2 ZINC000169347330 EH Annotated Anodyne O=C1O[C@H](c2ccccc2Cl)CN1c1ccc2c(c1)CNCC2 ZINC000169347331 EH Annotated Anodyne O=C1O[C@@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNC2 ZINC000169347332 EH Annotated Anodyne O=C1O[C@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNC2 ZINC000169347333 EH Annotated Anodyne O=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12 ZINC000169347446 EH Annotated Anodyne C/C1=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C\CC[C@@]2(C)O[C@H]2CC1 ZINC000169347831 EH Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@H]2CC/C(C)=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC1 ZINC000169347833 EH Annotated Anodyne C/C1=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@@]2(C)O[C@H]2CC1 ZINC000169347834 EH Annotated Anodyne CC1=C2CC/C(C)=C\CC[C@@]3(C)O[C@H]3CC[C@](C)(O)/C=C\2OC1=O ZINC000169348036 EH Annotated Anodyne CC1=C2CC/C(C)=C\CC[C@@]3(C)O[C@H]3CC[C@](C)(O)/C=C/2OC1=O ZINC000169348037 EH Annotated Anodyne Cc1cc(N2CCCCC2)nc(SCc2nc3ccccc3[nH]2)n1 ZINC000169349043 EH Annotated Anodyne COC(=O)c1cc2c(OCC3CCCCC3)cc(NC(C)=O)cc2[nH]1 ZINC000169349103 EH Annotated Anodyne CCc1cccc2cc(/C=C3\SC(=S)NC3=O)c(Cl)nc12 ZINC000169350382 EH Annotated Clean Cc1cc(C)c2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1 ZINC000169350383 EH Annotated Clean Cc1ccc(C)c2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc12 ZINC000169350384 EH Annotated Clean O=C1C=C(CCCCOCc2ccccc2)[C@H]2CCC3(OCCO3)[C@@H]12 ZINC000169350448 EH Annotated Mild SC1=C2CCCCC2=[N+](C[C@@H]2CCCO2)[C@@H](c2ccccc2)N1 ZINC000169350821 EH Annotated Anodyne Cc1cccc(C)c1[C@@H]1SCC(=O)N1C(=O)Nc1ccncc1 ZINC000169351033 EH Annotated Anodyne Cc1cccc(C)c1[C@H]1SCC(=O)N1C(=O)Nc1ccncc1 ZINC000169351034 EH Annotated Anodyne N#Cc1ccc2nc(N)n(C[C@@H](O)c3cccc(Cl)c3Cl)c2c1 ZINC000169351095 EH Annotated Mild N#Cc1ccc2nc(N)n(C[C@H](O)c3cccc(Cl)c3Cl)c2c1 ZINC000169351096 EH Annotated Mild O=C1CSc2cc(Nc3cc(C(F)(F)F)ccn3)ccc2N1 ZINC000169353131 EH Annotated Anodyne O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@@H]2[C@@H]1O ZINC000169354172 EH Annotated Bother O[C@@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]2O[C@@H]2[C@@H]1O ZINC000169354174 EH Annotated Bother O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]2O[C@@H]2[C@@H]1O ZINC000169354175 EH Annotated Bother C=C(Br)CO[C@@H]1C=C[C@@H](c2ccccc2)O[C@@H]1COC ZINC000169355791 EH Annotated Mild C[C@@H]1C[C@@H]2CCC[C@@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000169355907 EH Annotated Anodyne C[C@H]1C[C@@H]2CCC[C@@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000169355908 EH Annotated Anodyne C[C@@H]1C[C@H]2CCC[C@@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000169355909 EH Annotated Anodyne C[C@H]1C[C@H]2CCC[C@@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000169355910 EH Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)CCC(=O)[C@]3(C)O[C@@H]3C[C@@H]12 ZINC000169358448 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)CCC(=O)[C@]3(C)O[C@@H]3C[C@@H]12 ZINC000169358449 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)CCC(=O)[C@]3(C)O[C@@H]3C[C@@H]12 ZINC000169358450 EH Annotated Mild COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000169358604 EH Annotated Anodyne COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000169358605 EH Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000169358606 EH Annotated Anodyne COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000169358607 EH Annotated Anodyne CC[C@@H]1OC(=O)CCCC/C=C\C/C=C/[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O ZINC000169358626 EH Annotated Reactive CC[C@@H]1OC(=O)CCCC/C=C/C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O ZINC000169358627 EH Annotated Reactive CC[C@@H]1OC(=O)CCCC/C=C/C/C=C/[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O ZINC000169358628 EH Annotated Reactive C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCSCC3)[C@@H]2CC/C(C)=C/CC1 ZINC000169360442 EH Annotated Anodyne C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCSCC3)[C@@H]2CC1 ZINC000169360444 EH Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCSCC3)[C@@H]2CC/C(C)=C\CC1 ZINC000169360446 EH Annotated Anodyne C=C1CC[C@@H]2CC[C@]34O[C@]3([C@@H](C/C(C)=C\C(=O)C1)O[C@H]4OC)C2(C)C ZINC000169362297 EH Annotated Mild Cc1nc(C(=O)N[C@@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@@H]42)c(C)n1-c1ccccc1 ZINC000169362394 EH Annotated Anodyne Cc1nc(C(=O)N[C@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@@H]42)c(C)n1-c1ccccc1 ZINC000169362395 EH Annotated Anodyne Cc1nc(C(=O)N[C@H]2[C@H]3C[C@@H]4C[C@H]3C[C@H]2C4)c(C)n1-c1ccccc1 ZINC000169362396 EH Annotated Anodyne Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@@H]4C[C@H]3C[C@H]2C4)c(C)n1-c1ccccc1 ZINC000169362397 EH Annotated Anodyne Cc1ccc(NCc2ccc3cc2OCC#C/C=C/C#CCO3)cc1 ZINC000169363430 EH Annotated Mild COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)/C=C/2 ZINC000169363459 EH Annotated Anodyne O=C1Cc2ccccc2N1[C@@H]1C[C@@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000169363599 EH Annotated Anodyne O=C1Cc2ccccc2N1[C@H]1C[C@@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000169363600 EH Annotated Anodyne O=C1Cc2ccccc2N1[C@H]1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1 ZINC000169363601 EH Annotated Anodyne O=C1Cc2ccccc2N1[C@@H]1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1 ZINC000169363602 EH Annotated Anodyne C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C\[C@@H](O)C1)N(C)C3=O)C2(C)C ZINC000169363640 EH Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)C1 ZINC000169364663 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 ZINC000169364911 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 ZINC000169364912 EH Annotated Anodyne C/C1=C\C/C=C(\C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 ZINC000169365921 EH Annotated Mild C/C1=C/C/C=C(/C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 ZINC000169365922 EH Annotated Mild C/C1=C/C/C=C(\C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H](C(C)C)CC1=O ZINC000169365923 EH Annotated Mild CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000169366048 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000169366049 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000169366050 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@@H]2C(=O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000169366226 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@@H]2C(=O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000169366228 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@@H]2C(=O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000169366229 EH Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000169366345 EH Annotated Anodyne CO[C@@H]1CC[C@@H]1N1C(=O)CS[C@@H]1c1c(Cl)cccc1Cl ZINC000169368177 EH Annotated Anodyne CO[C@H]1CC[C@@H]1N1C(=O)CS[C@@H]1c1c(Cl)cccc1Cl ZINC000169368178 EH Annotated Anodyne CO[C@H]1CC[C@H]1N1C(=O)CS[C@@H]1c1c(Cl)cccc1Cl ZINC000169368179 EH Annotated Anodyne CN1C[C@@](O)(c2ccc(-c3cccs3)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169370010 EH Annotated Anodyne CN1C[C@](O)(c2ccc(-c3cccs3)cc2)O[C@@H]2CCCC[C@@H]21 ZINC000169370012 EH Annotated Anodyne CC1=C2CC/C(C=O)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O ZINC000169370403 EH Annotated Reactive CC1=C2CC/C(C=O)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O ZINC000169370404 EH Annotated Reactive CC1=C2CC/C(C=O)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O ZINC000169370405 EH Annotated Reactive C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(CC/C=C(\C)CC[C@H]12)C(=O)O3 ZINC000169370426 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(CC/C=C(/C)CC[C@H]12)C(=O)O3 ZINC000169370427 EH Annotated Mild CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H]1O4 ZINC000169371514 EH Annotated Reactive CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]23[C@H]1O4 ZINC000169371515 EH Annotated Reactive CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]23[C@H]1O4 ZINC000169371516 EH Annotated Reactive C=C1O[C@@H](OC)[C@@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 ZINC000169373123 EH Annotated Mild C=C1O[C@H](OC)[C@@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 ZINC000169373124 EH Annotated Mild C=C1O[C@@H](OC)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 ZINC000169373125 EH Annotated Mild C=C1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 ZINC000169373126 EH Annotated Mild COC(=O)c1ccc2c(c1)C[C@@]1(O2)[C@@H](C)CC[C@@H](OC(C)=O)C1(C)C ZINC000169396545 EH Annotated Anodyne CC1=CC[C@@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O ZINC000169474314 EH Annotated Anodyne CC(C)=C1CC[C@]2(C)CC[C@]3(O[C@@H](C[C@@H]3C)C[C@@]3(C)O[C@@H]3C1=O)O2 ZINC000169519792 EH Annotated Mild CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O3 ZINC000169549730 EH Annotated Clean CC(C)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@@H](CO)c2c1cc(C)c(O)c2O ZINC000169640522 EH Annotated Clean CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000169641029 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4[C@@H](C[C@@H]21)[C@@]4(C)[C@@H]3O ZINC000169641051 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H]2CO[C@H](O)[C@H]2[C@]2(C)C(C)(C)CCC[C@]12C ZINC000169643241 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)CC[C@]2(O)[C@@H](C(C)C)CC[C@]2(C)CC1=O ZINC000169647295 EH Annotated Anodyne CC1(C)[C@@H]2C[C@@H]3O[C@]3(C)[C@]13C[C@H](Br)[C@@](C)(Cl)C[C@H]3O2 ZINC000169654089 EH Annotated Reactive C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C/C=C(/C)[C@@H](O)CO ZINC000169654558 EH Annotated Mild C[C@@H]1CN2[C@H]3[C@@H]1CC[C@]14COC(=O)CC[C@]31[C@@H]1CCC[C@@]13CC[C@@H]4[C@@H]23 ZINC000169665602 EH Annotated Anodyne C[C@@H]1[C@@H](C)O[C@@H]2O[C@@H](c3ccoc3)C[C@]12c1cccc2c1COC2=O ZINC000169666278 EH Annotated Anodyne COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@H](C)C(=O)[C@@H]1C ZINC000169668318 EH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@H](O)/C(C)=C/CO ZINC000169669930 EH Annotated Mild CC1=C(O)C(=O)C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)CO)CC[C@@]12C ZINC000169674555 EH Annotated Mild O=C1C[C@@]2(CCc3ccccc32)OC(=O)[C@H]1SCc1ccccc1 ZINC000169684763 EH Annotated Anodyne O=C1C[C@]2(CCc3ccccc32)OC(=O)[C@H]1SCc1ccccc1 ZINC000169684764 EH Annotated Anodyne COc1cccc(-n2cnc3c(/N=N/Cc4ccncc4)ncnc32)c1 ZINC000169685224 EH Annotated Clean COc1cccc(-c2n[nH]c3c(/N=N/Cc4ccncc4)ncnc23)c1 ZINC000169685225 EH Annotated Clean Cc1ccccc1-n1ncc2c(/N=N/Cc3ccncc3)ncnc21 ZINC000169685233 EH Annotated Clean Cc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 ZINC000169685234 EH Annotated Clean Cc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1 ZINC000169685235 EH Annotated Clean Fc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 ZINC000169685244 EH Annotated Clean CCOC(=O)C(/C=N/c1ccc(-c2ccccc2)cc1)C(=O)OCC ZINC000169685581 EH Annotated Mild N#C[C@@H]1C(=N)Oc2cc3c(cc2[C@@H]1c1ccc(Cl)cc1)OCO3 ZINC000169687150 EH Annotated Mild N#C[C@H]1C(=N)Oc2cc3c(cc2[C@@H]1c1ccc(Cl)cc1)OCO3 ZINC000169687151 EH Annotated Mild Cc1ccc(/N=C2/C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2Cl)cc1 ZINC000169687474 EH Annotated Reactive Cc1ccc(/N=C2/C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2Cl)cc1 ZINC000169687475 EH Annotated Reactive CCOc1ccc(Cc2sc(Nc3ccccn3)nc2O)cc1 ZINC000169687652 EH Annotated Anodyne O=c1c([N+](=O)[O-])cc2oc3c(c2[c-]1/C=N/Cc1ccccc1)CCCC3 ZINC000169687927 EH Annotated Mild O=C(c1ccco1)[C@@H](/C=N/c1ccc(F)cc1)C(=O)C(F)(F)F ZINC000169687941 EH Annotated Mild O=C(c1ccco1)[C@H](/C=N/c1ccc(F)cc1)C(=O)C(F)(F)F ZINC000169687942 EH Annotated Mild CCOc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(F)cc1F ZINC000169687974 EH Annotated Mild Cc1ccc(/N=N/c2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1 ZINC000169688046 EH Annotated Clean COc1ccc(C/N=N/c2cc(C)nc(-n3nc(C)cc3C)n2)cc1 ZINC000169688070 EH Annotated Clean COc1cc(C/N=N/c2nnc3c(n2)[nH]c2ccccc23)ccc1O ZINC000169688173 EH Annotated Clean O=C(O)c1csc(/N=N/Cc2ccc(Br)cc2)n1 ZINC000169688225 EH Annotated Clean CC(=O)C1=C(c2ccccc2)OC(=N)[C@@H](C#N)[C@@H]1c1ccc(O)cc1 ZINC000169688375 EH Annotated Mild CC(=O)C1=C(c2ccccc2)OC(=N)[C@H](C#N)[C@@H]1c1ccc(O)cc1 ZINC000169688376 EH Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)[C@@H](C#N)C(=N)O2 ZINC000169688653 EH Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)[C@@H](C#N)C(=N)O2 ZINC000169688654 EH Annotated Mild CCOc1ccc(/N=C/CC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000169688667 EH Annotated Mild COc1ccc(C(=O)C/C=N/c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000169688847 EH Annotated Mild COc1ccc(C(=O)C/C=N/c2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000169688852 EH Annotated Mild Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccoc2)[C@@H](C#N)C(=N)O3)cc1C ZINC000169689361 EH Annotated Mild Cc1ccc(-c2n[nH]c3c2[C@H](c2ccoc2)[C@@H](C#N)C(=N)O3)cc1C ZINC000169689362 EH Annotated Mild Nc1[nH]n2c(=O)c3c(nc2c1/N=N/c1ccc(Cl)cc1)CCCC3 ZINC000169689440 EH Annotated Clean COc1c[c-](C/N=N/c2nc3ccccc3s2)cc([N+](=O)[O-])c1=O ZINC000169689602 EH Annotated Clean COc1ccc2sc(-n3c(O)c4c(c3O)CC(C)=CC4)nc2c1 ZINC000169689711 EH Annotated Anodyne C=C(c1ccc(OC)cc1)c1sc(=S)n(CCC(=O)O)c1O ZINC000169689718 EH Annotated Anodyne CC1=NC(=S)N[C@H](c2cccs2)[C@@H]1C(=O)Nc1ccccc1C ZINC000169689999 EH Annotated Anodyne CC1=NC(=S)N[C@H](c2cccs2)[C@H]1C(=O)Nc1ccccc1C ZINC000169690000 EH Annotated Anodyne CC1=NC(=S)N[C@@H](c2cccs2)[C@@H]1C(=O)Nc1ccccc1C ZINC000169690001 EH Annotated Anodyne CC1=NC(=S)N[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccccc1C ZINC000169690002 EH Annotated Anodyne O=c1c2ccccc2nc(/N=N/Cc2c(O)ccc3ccccc23)n1O ZINC000169690101 EH Annotated Clean Cc1ccc([C@@H]2[C@@H]3CSCCC3=C(C#N)C(=N)C2(C#N)C#N)cc1 ZINC000169690133 EH Annotated Reactive Cc1ccc([C@H]2[C@@H]3CSCCC3=C(C#N)C(=N)C2(C#N)C#N)cc1 ZINC000169690134 EH Annotated Reactive CC(=O)N(c1cccc(C)c1)c1sc(=O)n(-c2ccccc2)c1O ZINC000169690202 EH Annotated Anodyne COc1cc(C/N=N/c2c(F)c(F)nc(F)c2F)cc(OC)c1O ZINC000169690377 EH Annotated Clean COc1ccc([C@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 ZINC000169690526 EH Annotated Anodyne COc1ccc([C@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 ZINC000169690527 EH Annotated Anodyne Cc1cc(=O)[nH]c(/N=N/Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000169690817 EH Annotated Clean Cc1ccc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@@H]3c2ccoc2)cc1 ZINC000169690881 EH Annotated Mild Cc1ccc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@H]3c2ccoc2)cc1 ZINC000169690882 EH Annotated Mild N#C[C@@H]1C(=N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cccs1 ZINC000169691021 EH Annotated Mild N#C[C@H]1C(=N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cccs1 ZINC000169691022 EH Annotated Mild N#C[C@@H]1C(=N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccsc1 ZINC000169691047 EH Annotated Mild N#C[C@H]1C(=N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccsc1 ZINC000169691048 EH Annotated Mild Cc1ccc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@@H]3c2ccco2)cc1 ZINC000169691072 EH Annotated Mild Cc1ccc(-n2nc(C)c3c2OC(=N)[C@H](C#N)[C@H]3c2ccco2)cc1 ZINC000169691073 EH Annotated Mild COc1ccc(/N=C/C(=C/CC#N)S(=O)(=O)c2ccccc2)cc1 ZINC000169691288 EH Annotated Mild Cc1ccc(Cl)cc1-n1c(O)cc(Sc2ncccn2)c1O ZINC000169691586 EH Annotated Anodyne CCc1ccc2[nH]c3nc(/N=N/Cc4ccc(O)cc4O)nnc3c2c1 ZINC000169691601 EH Annotated Clean Cc1cc(/N=N/Cc2ccc(O)cc2O)nc(-c2ccccc2O)n1 ZINC000169691729 EH Annotated Clean CCCCCCC(=O)N(O)c1cc(O)n(-c2ccc(C)cc2)c1O ZINC000169691776 EH Annotated Anodyne CN(CCc1ccccn1)c1cc(O)n(-c2ccc(Cl)cc2)c1O ZINC000169691777 EH Annotated Anodyne Cc1ccccc1C(=O)OC1=C(Nc2ccccc2)[C@@H](Cl)C(=O)O1 ZINC000169691809 EH Annotated Reactive Cc1ccccc1C(=O)OC1=C(Nc2ccccc2)[C@H](Cl)C(=O)O1 ZINC000169691810 EH Annotated Reactive Cc1cc(=O)[nH]c(/N=N/Cc2c(C)nn(-c3ccccc3)c2Cl)n1 ZINC000169692006 EH Annotated Clean COc1ccc(C/N=N/c2ncc(Br)cn2)c(OC)c1 ZINC000169692253 EH Annotated Clean C=C(/C=C(\C)c1sc(S)nc1O)c1sc(S)nc1O ZINC000169693158 EH Annotated Anodyne COc1ccc(-c2ccc([C@@H]3c4c(n[nH]c4C)OC(=N)[C@@H]3C#N)o2)cc1 ZINC000169693247 EH Annotated Mild COc1ccc(-c2ccc([C@H]3c4c(n[nH]c4C)OC(=N)[C@@H]3C#N)o2)cc1 ZINC000169693248 EH Annotated Mild COc1ccc(/C=N/n2c(O)csc2=S)cc1Br ZINC000169693824 EH Annotated Mild O=c1c(/C=N/c2ccc(Cl)cc2)c[nH]n1-c1cccc(Cl)n1 ZINC000169693830 EH Annotated Mild COc1cc(OC)c(OC)cc1C/N=N/c1nc2ccccc2[nH]1 ZINC000169693921 EH Annotated Clean COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4nc[nH]c4c3)[C@H]1C2 ZINC000169694232 EH Annotated Anodyne CC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)n1 ZINC000169699711 EH Annotated Anodyne Cc1ccc(F)cc1-c1ccc2cc(NS(C)(=O)=O)ncc2c1 ZINC000169699957 EH Annotated Anodyne Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C#N)n1 ZINC000169700079 EH Annotated Mild Cc1ccc(F)cc1-c1cc(O)c2cc(NC(=O)C3CC3)ncc2n1 ZINC000169700092 EH Annotated Anodyne CCO[C@@H]1C[C@@H]1C(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1 ZINC000169700132 EH Annotated Anodyne CCO[C@H]1C[C@H]1C(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1 ZINC000169700133 EH Annotated Anodyne CCOc1ccc(C2[C@@H](C#N)C(=N)SC(=N)[C@@H]2C#N)cc1OCC ZINC000169700593 EH Annotated Mild Nc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1/N=N/c1ccccc1 ZINC000169700603 EH Annotated Clean NC1=N[C@@H](CCc2ccc(Nc3cccc4cccnc34)cc2)CO1 ZINC000169701148 EH Annotated Anodyne Cc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)c2ncccc2c1 ZINC000169701150 EH Annotated Anodyne NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3F)cc2)CO1 ZINC000169701153 EH Annotated Anodyne [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OCC2(C)C)[C@@H]1c1ccc2n[nH]c(C)c2c1 ZINC000169703228 EH Annotated Reactive [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OCC2(C)C)[C@@H]1c1ccc2n[nH]c(C)c2c1 ZINC000169703229 EH Annotated Reactive [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OCC2(C)C)[C@H]1c1ccc2n[nH]c(C)c2c1 ZINC000169703230 EH Annotated Reactive [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OCC2(C)C)[C@H]1c1ccc2n[nH]c(C)c2c1 ZINC000169703231 EH Annotated Reactive CC(C)(C)n1c(-c2cccnc2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169703419 EH Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1O ZINC000169704774 EH Annotated Mild COc1cc2ncc3c(c(-c4ccccc4F)nn3C)c2cc1OC ZINC000169704847 EH Annotated Anodyne O=C(Nc1cccc2c1C[C@H](O)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000169704850 EH Annotated Anodyne O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000169704851 EH Annotated Anodyne O=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@H](c2ccccc2)C1 ZINC000169704857 EH Annotated Anodyne O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@H]1CC[C@H](c2ccccc2)C1 ZINC000169704858 EH Annotated Anodyne O=C(Nc1cccc2c1C[C@H](O)C2)N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000169704864 EH Annotated Anodyne O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000169704865 EH Annotated Anodyne O=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000169704871 EH Annotated Anodyne O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000169704872 EH Annotated Anodyne O=C(Nc1ccc2c(c1)NCCO2)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000169705001 EH Annotated Anodyne Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1cn[nH]c(=O)c1C ZINC000169705974 EH Annotated Anodyne Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1cc(=O)[nH]nc1C ZINC000169705975 EH Annotated Anodyne Cc1ncnc(C)c1-c1ccc(Oc2nccc3n[nH]cc23)cc1C#N ZINC000169705978 EH Annotated Mild Cc1ncnc(C#N)c1-c1ccc(Oc2nccc3n[nH]cc23)cc1F ZINC000169705979 EH Annotated Mild C[C@@H](Cc1ccc(C#Cc2ccc(C3CC3)cn2)cc1)NC(=O)C1CC1 ZINC000169706172 EH Annotated Mild C[C@H](Cc1ccc(C#Cc2ccc(C3CC3)cn2)cc1)NC(=O)C1CC1 ZINC000169706173 EH Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc3ccccc3c2)cc1 ZINC000169706182 EH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc3ccccc3c2)cc1 ZINC000169706183 EH Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc3ncccc3c2)cc1 ZINC000169706186 EH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc3ncccc3c2)cc1 ZINC000169706187 EH Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)CF)cc2)cc1 ZINC000169706244 EH Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)CF)cc2)cc1 ZINC000169706245 EH Annotated Mild Cc1c(C)c(O)c(/C=C/CCC#CCCCC#CCO)c(C)c1O ZINC000169712351 EH Annotated Mild CC[N+](C)(CC)CCS[C@@H](N=O)C(=O)c1ccc(Cl)cc1 ZINC000169713384 EH Annotated Bother CC[N+](C)(CC)CCS[C@H](N=O)C(=O)c1ccc(Cl)cc1 ZINC000169713385 EH Annotated Bother CCN(CC)CCS[C@@H](N=O)c1nc(Cc2ccccc2)no1 ZINC000169713423 EH Annotated Anodyne CCN(CC)CCS[C@H](N=O)c1nc(Cc2ccccc2)no1 ZINC000169713424 EH Annotated Anodyne O=C1C(=O)[C@H](CSc2ccc(Cl)cc2)C(=O)c2ccccc21 ZINC000169714717 EH Annotated Clean Cc1c(C/C=N\C(=O)OC(C)(C)C)c(O)c2c(O)cccc2c1O ZINC000169716722 EH Annotated Mild Cc1c(/C=C/CNC(=O)OC(C)(C)C)c(O)c2c(O)cccc2c1O ZINC000169716758 EH Annotated Anodyne O=c1nc2cc[c-](-c3cccc([N+](=O)[O-])c3)cc-2n1Cc1ccccc1 ZINC000169717097 EH Annotated Bother C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C=O)cc3)cc2)C1=O ZINC000169717828 EH Annotated Anodyne C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C=O)cc3)cc2)C1=O ZINC000169717829 EH Annotated Anodyne C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C=O)cc3)cc2)C1=O ZINC000169717830 EH Annotated Anodyne C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C=O)cc3)cc2)C1=O ZINC000169717831 EH Annotated Anodyne C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O ZINC000169720211 EH Annotated Anodyne C[C@H]1C(=O)S[C@@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O ZINC000169720212 EH Annotated Anodyne C[C@@H]1C(=O)S[C@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O ZINC000169720213 EH Annotated Anodyne C[C@H]1C(=O)S[C@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O ZINC000169720214 EH Annotated Anodyne C=Cc1c(C)c(O)c2cc3c(c(O)c2c1O)C(=O)[C@@H](C)C(=O)C3(C)C ZINC000169720414 EH Annotated Anodyne C=Cc1c(C)c(O)c2cc3c(c(O)c2c1O)C(=O)[C@H](C)C(=O)C3(C)C ZINC000169720415 EH Annotated Anodyne CC1CC(=O)C([C@H]2C3=C(C[C@H](C)CC3=O)Oc3ccccc32)C(=O)C1 ZINC000169720938 EH Annotated Mild CC1CC(=O)C([C@@H]2C3=C(C[C@H](C)CC3=O)Oc3ccccc32)C(=O)C1 ZINC000169720939 EH Annotated Mild CC1CC(=O)C([C@H]2C3=C(C[C@@H](C)CC3=O)Oc3ccccc32)C(=O)C1 ZINC000169720940 EH Annotated Mild CC1CC(=O)C([C@@H]2C3=C(C[C@@H](C)CC3=O)Oc3ccccc32)C(=O)C1 ZINC000169720941 EH Annotated Mild CN(C)CCC/N=c1/c2ccccc2n(C)c2c1oc1ccccc12 ZINC000169721012 EH Annotated Bother Cc1cc(=O)n(CCOc2ccc3c(c2)Nc2ccccc2S3)[nH]1 ZINC000169721423 EH Annotated Anodyne N#C[C@@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000169721881 EH Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000169721882 EH Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1 ZINC000169721887 EH Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1 ZINC000169721888 EH Annotated Mild O=N[C@H]1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 ZINC000169722219 EH Annotated Anodyne O=N[C@@H]1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 ZINC000169722220 EH Annotated Anodyne COc1ccc2c(cn(C)c3c4cc(O)c(=O)cc4ccc23)c1OC ZINC000169722321 EH Annotated Bother CC(=O)Nc1ccc2c(c1)[C@@H](c1[nH]c3ccccc3c1N=O)C(=O)N2 ZINC000169722494 EH Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@H](c1[nH]c3ccccc3c1N=O)C(=O)N2 ZINC000169722495 EH Annotated Anodyne COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(N(C)C)cc2)cc1 ZINC000169723240 EH Annotated Clean COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(Cl)cc1 ZINC000169723249 EH Annotated Clean O=Nc1c(-[c-]2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH]c2ccc(F)cc12 ZINC000169723368 EH Annotated Bother COc1ccc2[nH]c([C@@H]3C(=O)Nc4ccc(F)cc43)c(N=O)c2c1 ZINC000169723377 EH Annotated Anodyne COc1ccc2[nH]c([C@H]3C(=O)Nc4ccc(F)cc43)c(N=O)c2c1 ZINC000169723378 EH Annotated Anodyne N#C[C@@H]1C(=N)OC2=C(C(=O)O[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724151 EH Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)O[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724152 EH Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)O[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724153 EH Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)O[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724154 EH Annotated Mild CC1=Nc2[nH]ncc2[C@@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000169724316 EH Annotated Anodyne CC1=Nc2[nH]ncc2[C@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000169724317 EH Annotated Anodyne CC1=Nc2[nH]ncc2[C@@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000169724318 EH Annotated Anodyne CC1=Nc2[nH]ncc2[C@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000169724319 EH Annotated Anodyne O=N[C@@H]1c2ccccc2O[C@@]2(C(=O)Nc3ccc(Cl)cc3)C[C@@H]12 ZINC000169724337 EH Annotated Anodyne O=N[C@H]1c2ccccc2O[C@@]2(C(=O)Nc3ccc(Cl)cc3)C[C@@H]12 ZINC000169724338 EH Annotated Anodyne O=N[C@@H]1c2ccccc2O[C@]2(C(=O)Nc3ccc(Cl)cc3)C[C@@H]12 ZINC000169724339 EH Annotated Anodyne O=N[C@H]1c2ccccc2O[C@]2(C(=O)Nc3ccc(Cl)cc3)C[C@@H]12 ZINC000169724340 EH Annotated Anodyne O=c1cc(C(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 ZINC000169724620 EH Annotated Anodyne CNc1nc(/N=N/Cc2ccc(OC)cc2)nc(Nc2ccccc2)n1 ZINC000169726149 EH Annotated Clean CNc1nc(/N=N/Cc2ccc(O)cc2)nc(Nc2ccccc2)n1 ZINC000169726150 EH Annotated Clean O=NCC1=NCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169726211 EH Annotated Anodyne CSc1cc(-n2c(O)c3c(c2O)[C@@]2(C)CC[C@@]3(C)O2)ccc1C#N ZINC000169727164 EH Annotated Mild CSc1cc(-n2c(O)c3c(c2O)[C@@]2(C)CC[C@]3(C)O2)ccc1C#N ZINC000169727165 EH Annotated Mild CSc1cc(-n2c(O)c3c(c2O)[C@]2(C)CC[C@]3(C)O2)ccc1C#N ZINC000169727166 EH Annotated Mild C[C@@]12CC[C@@H](O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O ZINC000169727176 EH Annotated Anodyne C[C@]12CC[C@@H](O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O ZINC000169727177 EH Annotated Anodyne C[C@@]12CC[C@H](O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O ZINC000169727178 EH Annotated Anodyne C[C@]12CC[C@H](O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O ZINC000169727179 EH Annotated Anodyne O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@@H]3O2)c2ccccc12 ZINC000169727207 EH Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2CC[C@@H]3O2)c2ccccc12 ZINC000169727208 EH Annotated Bother O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2CC[C@H]3O2)c2ccccc12 ZINC000169727209 EH Annotated Bother NC(/N=C/C(c1ccccc1)c1ccccc1)=N\CCCc1cnc[nH]1 ZINC000169729077 EH Annotated Mild CCC/C=C/[S@@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O ZINC000169729687 EH Annotated Anodyne CCC/C=C/[S@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O ZINC000169729688 EH Annotated Anodyne Cc1ccc(/C=C2\CNC[C@@H]3C2=NC(=O)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000169729999 EH Annotated Anodyne Cc1ccc(/C=C2\CNC[C@H]3C2=NC(=O)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000169730000 EH Annotated Anodyne Cc1ccc(/C=C2\CNC[C@@H]3C2=NC(=O)N[C@H]3c2ccc(C)cc2)cc1 ZINC000169730001 EH Annotated Anodyne Cc1ccc(/C=C2\CNC[C@H]3C2=NC(=O)N[C@H]3c2ccc(C)cc2)cc1 ZINC000169730002 EH Annotated Anodyne Cc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=O)N[C@@H]2c1ccccc1C ZINC000169730023 EH Annotated Anodyne Cc1ccccc1/C=C1\CNC[C@H]2C1=NC(=O)N[C@@H]2c1ccccc1C ZINC000169730024 EH Annotated Anodyne Cc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=O)N[C@H]2c1ccccc1C ZINC000169730025 EH Annotated Anodyne Cc1ccccc1/C=C1\CNC[C@H]2C1=NC(=O)N[C@H]2c1ccccc1C ZINC000169730026 EH Annotated Anodyne CCOC(=O)c1c([C@@H](C#N)C=N)c2ccc(Cl)c(Cl)c2n1C ZINC000169730049 EH Annotated Mild CCOC(=O)c1c([C@H](C#N)C=N)c2ccc(Cl)c(Cl)c2n1C ZINC000169730050 EH Annotated Mild Oc1c(F)cc(C/C=N/c2cc(O)c3cccnc3c2O)cc1F ZINC000169730507 EH Annotated Mild CCOC(=O)[C@@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1cccnc1 ZINC000169730678 EH Annotated Anodyne CCOC(=O)[C@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1cccnc1 ZINC000169730679 EH Annotated Anodyne CCOC(=O)[C@@H]1C(=N)Oc2c(ccc3ccccc23)[C@@H]1c1cccnc1 ZINC000169730680 EH Annotated Anodyne CCOC(=O)[C@H]1C(=N)Oc2c(ccc3ccccc23)[C@@H]1c1cccnc1 ZINC000169730681 EH Annotated Anodyne CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(Cl)cc1 ZINC000169730684 EH Annotated Anodyne CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(Cl)cc1 ZINC000169730685 EH Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@H]1O[C@]1(C)CC/C=C(/C)CC[C@@H]2O ZINC000017105457 EH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@H]1O[C@@]1(C)CC/C=C(/C)CC[C@@H]2O ZINC000017105459 EH Annotated Mild C/C1=C\CC[C@@](C)(O)[C@H]2C[C@@H](CC[C@@]3(C)O[C@@H]3CC1)[C@@H](C)C(=O)O2 ZINC000017105464 EH Annotated Anodyne C/C1=C\CC[C@@](C)(O)[C@H]2C[C@@H](CC[C@@]3(C)O[C@@H]3CC1)[C@H](C)C(=O)O2 ZINC000017105466 EH Annotated Anodyne CCC/C(=N\NC(=S)N1CC2CCC(CC2)C1)c1ccccn1 ZINC000017128182 EH Annotated Mild O/N=C(/C[n+]1cccc(Br)c1)c1ccc2ccccc2c1 ZINC000017157863 EH Annotated Mild CCCCCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2[C@@H]1O ZINC000017189364 EH Annotated Mild CCCCCCNC(=O)[C@H](C)[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2[C@@H]1O ZINC000017189366 EH Annotated Mild CCCCCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2[C@@H]1O ZINC000017189369 EH Annotated Mild CCCCCCNC(=O)[C@H](C)[C@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2[C@@H]1O ZINC000017189371 EH Annotated Mild CC(C)[C@@H]1NC(=O)C[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 ZINC000017192775 EH Annotated Anodyne Cc1ccc(/N=C2\N=C(N3C[C@@H](C)O[C@H](C)C3)c3ccccc32)cc1 ZINC000017196029 EH Annotated Mild CC[C@@]12CCCN[C@@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 ZINC000017215803 EH Annotated Anodyne CC[C@@]12CCCN[C@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 ZINC000017215807 EH Annotated Anodyne CC[C@]12CCCN[C@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 ZINC000017215810 EH Annotated Anodyne COc1ccc(CN2CCC/C=C\CC(Cl)(Cl)C2=O)cc1 ZINC000017218399 EH Annotated Anodyne O=C1[C@@H]2CC[C@@H](C2)[C@@]12C[C@]1(c3ccccc3)C(=O)c3ccccc3N1O2 ZINC000017218601 EH Annotated Anodyne CC1=C/C(=N\N(C)C)[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 ZINC000017249012 EH Annotated Mild NC1=Nc2ccccc2Sc2nnc(-c3ccc(Cl)cc3)n21 ZINC000017255543 EH Annotated Anodyne CC(=O)N1CCC(c2[nH]nc(O)c2/N=N/c2ccc(F)cc2F)CC1 ZINC000017545137 EH Annotated Clean CCCCCCC#C[C@H]1C=C[C@H](Oc2ccc(C=O)cc2)[C@@H](CO)O1 ZINC000017611559 EH Annotated Mild CCCCCCC#C[C@@H]1C=C[C@H](Oc2ccc(C=O)cc2)[C@@H](CO)O1 ZINC000017611562 EH Annotated Mild Cc1cnoc1/N=C1\C=C(Nc2oncc2C)C(=O)c2ccccc21 ZINC000017723476 EH Annotated Mild C[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 ZINC000018054338 EH Annotated Anodyne CC1(C)Cc2nc3nc(=S)n(-c4ccccc4)c(O)c3cc2CO1 ZINC000018058014 EH Annotated Anodyne COc1cccc([C@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@H]32)c1 ZINC000018067762 EH Annotated Anodyne COc1cccc([C@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@@H]32)c1 ZINC000018067763 EH Annotated Anodyne Oc1ccc(-c2onc(C(F)(F)F)c2-c2cscn2)c(O)c1 ZINC000018081095 EH Annotated Anodyne Cc1ccc(/N=C2\N=C(N3C[C@H](C)O[C@H](C)C3)c3ccccc32)cc1 ZINC000018113830 EH Annotated Mild C[C@@H](/N=c1\ccccn1C(=O)Nc1ccc(F)cc1)c1ccco1 ZINC000018125652 EH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 ZINC000018145911 EH Annotated Mild Cc1cc(/N=C2\C=C(Nc3cc(C)on3)C(=O)c3ccccc32)no1 ZINC000018152189 EH Annotated Mild Cc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)nc1O ZINC000018157762 EH Annotated Anodyne NC(=S)/N=N\c1c(O)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000018164572 EH Annotated Clean COc1cccc([C@@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@H]32)c1 ZINC000018165998 EH Annotated Anodyne COc1cccc([C@@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@@H]32)c1 ZINC000018166000 EH Annotated Anodyne COc1ccccc1C(=O)O/N=C(\N)Cc1cccc2ccccc12 ZINC000018325125 EH Annotated Mild Cc1ncsc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000019145626 EH Annotated Anodyne O=C(NCc1cnc2ccccc2c1)c1ccc([C@@H]2CCCN2)s1 ZINC000019145936 EH Annotated Anodyne O=C(NCc1cnc2ccccc2c1)c1ccc([C@H]2CCCN2)s1 ZINC000019145939 EH Annotated Anodyne Cc1nn(C(C)C)c(C)c1-c1nc2c(cnn2Cc2cccs2)[nH]1 ZINC000019147250 EH Annotated Anodyne Cc1cnccc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000019148353 EH Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3ccc4sccc4c3)n1)CCNC2 ZINC000019148378 EH Annotated Anodyne CC(C)Nc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 ZINC000019301034 EH Annotated Anodyne Cc1nc(Cn2ccc(-c3cccc(-c4nccn4C)c3)n2)cs1 ZINC000019301055 EH Annotated Anodyne Cc1noc(C)c1[C@@H](c1ccc(C(C)C)cc1)N1CCN(C)CC1 ZINC000019364628 EH Annotated Anodyne CN(C)C1CN([C@H]2c3ccccc3CCc3ccc(Cl)cc32)C1 ZINC000019368338 EH Annotated Anodyne CN(C)C1CN([C@@H]2c3ccccc3CCc3ccc(Cl)cc32)C1 ZINC000019368340 EH Annotated Anodyne C[C@@H]1CN(Cc2c(-c3cccs3)[nH]c3ncccc23)C[C@@H](C)O1 ZINC000019497546 EH Annotated Anodyne C[C@H]1CN(Cc2c(-c3cccs3)[nH]c3ncccc23)C[C@@H](C)O1 ZINC000019497547 EH Annotated Anodyne C[C@H]1CN(Cc2c(-c3cccs3)[nH]c3ncccc23)C[C@H](C)O1 ZINC000019497548 EH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1[C@@H]1CCCC[C@H]1O ZINC000192529800 EH Annotated Anodyne CO/N=C/C=C1\[C@H](C)O[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1OC ZINC000194849161 EH Annotated Reactive CCOC(=O)/C=C1/[C@H](C)O[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1OC ZINC000194861793 EH Annotated Reactive CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000194868938 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000194868963 EH Annotated Anodyne CC1=NC2=C(C(=O)CCC2)[C@H](c2cccnc2)/C1=C(/O)OC(C)C ZINC000019638767 EH Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@@H](c2cccnc2)/C1=C(/O)OC(C)C ZINC000019638772 EH Annotated Mild Cc1cccc(-c2ncc(CN[C@@H]3COc4ccccc4C3)cn2)c1 ZINC000019743013 EH Annotated Anodyne Cc1cccc(-c2ncc(CN[C@H]3COc4ccccc4C3)cn2)c1 ZINC000019743015 EH Annotated Anodyne CCc1cnc(-c2cccc(-c3ccn(Cc4cc(C)on4)n3)c2)nc1 ZINC000019743490 EH Annotated Anodyne Cc1nc(C)c(-c2nc([C@@]3(c4ccc(F)cc4)CCOC3)no2)s1 ZINC000019743806 EH Annotated Anodyne Cc1nc(C)c(-c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)s1 ZINC000019743808 EH Annotated Anodyne c1ccc(Cn2[nH]cc3nc(-c4ccc(-n5ccnc5)cc4)nc2-3)cc1 ZINC000019781638 EH Annotated Anodyne Cc1ccccc1-c1cnnc(NCc2cc(-c3ccccc3)[nH]n2)n1 ZINC000019792593 EH Annotated Anodyne CCc1[nH]c([C@H]2CC(=O)N(Cc3ccccn3)C2)nc1-c1ccccc1 ZINC000019794982 EH Annotated Anodyne CCc1[nH]c([C@@H]2CC(=O)N(Cc3ccccn3)C2)nc1-c1ccccc1 ZINC000019794983 EH Annotated Anodyne CCOc1ccccc1/C=C1/SC(=O)N(CN2CCCCC2)C1=O ZINC000019853754 EH Annotated Anodyne C/C(=N\NC(=O)c1cccnc1)c1ccc(-n2c(C)ccc2C)cc1 ZINC000019887727 EH Annotated Reactive C/C(=N\NC(=O)c1ccncc1)c1ccc(-n2c(C)ccc2C)cc1 ZINC000019887728 EH Annotated Reactive CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000195142382 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000195142392 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@H]2C(=O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000195147512 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@H]2C(=O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000195147522 EH Annotated Anodyne CCCCC[C@@H]1/C=C/[C@H]2C(=O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000195147535 EH Annotated Anodyne Cc1cccc(C)c1B(c1c(C)cccc1C)N(C)c1ccc(O)cc1 ZINC000195208228 EH Annotated Unstable CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C\C#C[C@@H](F)C(=CCC1)C2=O ZINC000195231882 EH Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C/C#C[C@@H](F)C(=CCC1)C2=O ZINC000195231889 EH Annotated Reactive COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000195294768 EH Annotated Anodyne COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000195294778 EH Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000195294787 EH Annotated Anodyne COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000195294801 EH Annotated Anodyne CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H]1O4 ZINC000195306300 EH Annotated Reactive COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@H](OC)[C@H]2C)[C@H]2C=C[C@H]1C2 ZINC000195344613 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@@H](OC)[C@H]2C)[C@H]2C=C[C@H]1C2 ZINC000195344623 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@H](OC)[C@@H]2C)[C@H]2C=C[C@H]1C2 ZINC000195344632 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@@H](OC)[C@@H]2C)[C@H]2C=C[C@H]1C2 ZINC000195344639 EH Annotated Anodyne COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@H]2C=CC[C@H]21 ZINC000195361078 EH Annotated Anodyne COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@H]2C=CC[C@H]21 ZINC000195361083 EH Annotated Anodyne COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@H]2C=CC[C@H]21 ZINC000195361090 EH Annotated Anodyne COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@H]2C=CC[C@H]21 ZINC000195361097 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@H]2C=C[C@H]1C2 ZINC000195365751 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@H]2C=C[C@H]1C2 ZINC000195365759 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2C=C[C@H]1C2 ZINC000195365766 EH Annotated Anodyne COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2C=C[C@H]1C2 ZINC000195365774 EH Annotated Anodyne c1ccc(CN2CC[C@H]3C[C@H]2c2ccc(N4CCOCC4)cc23)cc1 ZINC000195418066 EH Annotated Clean COc1cc(C(C)=O)cc(C(=O)N(C(C)C)C(C)C)c1[Si](C)(C)C ZINC000195431294 EH Annotated Anodyne c1ccc(CN2CC[C@@H]3C[C@H]2c2c3cccc2N2CCOCC2)cc1 ZINC000195433843 EH Annotated Anodyne c1ccc(CN2CC[C@H]3C[C@H]2c2c3cccc2N2CCOCC2)cc1 ZINC000195433850 EH Annotated Anodyne O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@H]2[C@H]1O ZINC000195434511 EH Annotated Bother O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@@H]2[C@H]1O ZINC000195434518 EH Annotated Bother O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@H]2[C@H]1O ZINC000195434531 EH Annotated Bother O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@H]2[C@@H]1O ZINC000195434538 EH Annotated Bother CC(C)CCO[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1 ZINC000195434822 EH Annotated Reactive CCc1cccc2nc3c(c([Si](C)(C)C)c12)Cn1c-3cccc1=O ZINC000195444644 EH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H]3C[C@@H](C[C@@H]3c3ccccc3)[C@H]2C1=O ZINC000195452664 EH Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@@H]2C1=O ZINC000195452667 EH Annotated Anodyne C=CC[C@H](O)C[C@@H]1C2[C@@H](C[C@@H](O)CC=C)[C@H]3C([C@@H]2OC(C)(C)C)[C@H]13 ZINC000195461420 EH Annotated Mild C=CC[C@H](O)C[C@@H]1C2[C@H](OC(C)(C)C)C3[C@H]1[C@H]3[C@@H]2C[C@@H](O)CC=C ZINC000195461427 EH Annotated Mild C=CC[C@H](O)C[C@@H]1C2[C@@H](OC(C)(C)C)C3[C@H]1[C@H]3[C@H]2C[C@@H](O)CC=C ZINC000195461434 EH Annotated Mild COC(=O)C/C=C\[C@H](C)[C@H](Cc1ccccc1Br)OC ZINC000195461456 EH Annotated Anodyne C=C(Br)CO[C@H]1C=C[C@@H](c2ccccc2)O[C@H]1COC ZINC000195476677 EH Annotated Mild CC[P@@](=O)(OC)C1=CCN(C(=O)OCC[Si](C)(C)C)CC1 ZINC000195477724 EH Annotated Anodyne CC[P@](=O)(OC)C1=CCN(C(=O)OCC[Si](C)(C)C)CC1 ZINC000195477728 EH Annotated Anodyne C=C[C@](C)(O)/C=C/C=C(\C)[C@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C ZINC000195481247 EH Annotated Mild C=C[C@](C)(O)/C=C/C=C(\C)[C@@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C ZINC000195481251 EH Annotated Mild C=C[C@](C)(O)/C=C/C=C(\C)[C@@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C ZINC000195481255 EH Annotated Mild C[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000195484842 EH Annotated Anodyne C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000195484845 EH Annotated Anodyne CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@@H](OCc1ccccc1)[C@@H]2Br ZINC000195485347 EH Annotated Reactive CC1(C)[C@@H]2CC(=O)[C@]1(C)[C@@H](OCc1ccccc1)[C@@H]2Br ZINC000195485351 EH Annotated Reactive CC(=O)[C@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@H]32 ZINC000195487060 EH Annotated Anodyne CC(=O)[C@@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@H]32 ZINC000195487063 EH Annotated Anodyne CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@H]32 ZINC000195487067 EH Annotated Anodyne CC(=O)[C@@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@H]32 ZINC000195487073 EH Annotated Anodyne O=C1[C@H]2CC[C@@H](C2)[C@@]12C[C@]1(c3ccccc3)C(=O)c3ccccc3N1O2 ZINC000195501584 EH Annotated Anodyne CC1(C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]2O1 ZINC000195506599 EH Annotated Reactive CC1(C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]2O1 ZINC000195506601 EH Annotated Reactive CC1(C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000195506603 EH Annotated Reactive CC1(C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000195506605 EH Annotated Reactive C[C@@]12Nc3ccccc3C1=C(c1ccccc1)C[C@@H]1C(=O)OC(=O)[C@@H]12 ZINC000195508186 EH Annotated Reactive C[C@]12Nc3ccccc3C1=C(c1ccccc1)C[C@@H]1C(=O)OC(=O)[C@@H]12 ZINC000195508189 EH Annotated Reactive Cc1cccc2c(B(O)O)cn([Si](C(C)C)(C(C)C)C(C)C)c12 ZINC000195756919 EH Annotated Reactive CCCCC[C@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000195762581 EH Annotated Anodyne C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000195824279 EH Annotated Anodyne C[Si](C)(C)C[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000195824282 EH Annotated Anodyne C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1ccc(C(F)(F)F)cc1 ZINC000195860662 EH Annotated Anodyne C[Si](C)(C)C[C@](O)(Cn1cncn1)c1ccc(C(F)(F)F)cc1 ZINC000195860667 EH Annotated Anodyne C[Si](C)(C)CCC[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000195901353 EH Annotated Anodyne C[Si](C)(C)CCC[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000195901357 EH Annotated Anodyne C[Si](C)(C)CCC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000195901436 EH Annotated Anodyne C[Si](C)(C)CCC[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000195901442 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=O ZINC000196011025 EH Annotated Reactive CC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000196481940 EH Annotated Anodyne CC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 ZINC000196481952 EH Annotated Anodyne CC(=O)N1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@H]1c1ccccc1 ZINC000196482142 EH Annotated Anodyne CC(=O)N1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@H]1c1ccccc1 ZINC000196482160 EH Annotated Anodyne C=C[C@@H]([C@@](O)(Cn1cncn1)c1ccc(Cl)cc1)[Si](C)(C)C ZINC000196592181 EH Annotated Mild C=C[C@H]([C@@](O)(Cn1cncn1)c1ccc(Cl)cc1)[Si](C)(C)C ZINC000196592192 EH Annotated Mild C=C[C@@H]([C@](O)(Cn1cncn1)c1ccc(Cl)cc1)[Si](C)(C)C ZINC000196592204 EH Annotated Mild C=C[C@H]([C@](O)(Cn1cncn1)c1ccc(Cl)cc1)[Si](C)(C)C ZINC000196592216 EH Annotated Mild CN1C=CN(COCCc2ccccc2C(F)(F)F)/C1=C\N=O ZINC000197077990 EH Annotated Anodyne C=C1CCC(=O)[C@@]2(C)CC[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C ZINC000197240768 EH Annotated Mild Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@H]1C2=O ZINC000197330599 EH Annotated Anodyne C=CCC1=C(O)C2=C[C@H]3OC[C@@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@@H]34 ZINC000197417305 EH Annotated Mild C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1OO ZINC000197426723 EH Annotated Reactive COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4[C@@H](C[C@H]12)[C@@]4(C(=O)O)C3 ZINC000197922087 EH Annotated Anodyne COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1O)CCN3C ZINC000198043956 EH Annotated Bother C=C(C)[C@@H]1CC[C@]23O[C@H]2[C@H](C/C(C)=C\c2cc(C)c(o2)C1)OC3=O ZINC000198054306 EH Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@]1(C=COC1)O2 ZINC000198239303 EH Annotated Anodyne C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CC[C@H]2C[C@@]2(C)[C@H]1CC3=O ZINC000198325253 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000198453136 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000198453145 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000198453164 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000198461225 EH Annotated Anodyne CCSCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccco1)C2 ZINC000198593766 EH Annotated Anodyne in-vivo CCSCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 ZINC000198593776 EH Annotated Anodyne in-vivo Nc1[nH]c2cc(C(F)(F)F)ccc2c1C(=O)NC1CCCCC1 ZINC000198613311 EH Annotated Anodyne Cc1cc(O)cc(=O)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000198613999 EH Annotated Anodyne C=C(C)CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC000198853798 EH Annotated Mild CC(C)C1=CC2=CC=C3C(C)(C)COC(=O)[C@]3(C)CC2=C(O)C1=O ZINC000198952567 EH Annotated Mild O=c1[nH][nH]c2c1[C@H](c1ccc(Cl)cc1)O[C@H](C1CCCCC1)C2 ZINC000199202298 EH Annotated Anodyne CC[C@@H](C)CN1C(=O)CSC[C@@]1(C)C(=O)Nc1c(C)cccc1C ZINC000199231799 EH Annotated Anodyne CC[C@H](C)CN1C(=O)CSC[C@@]1(C)C(=O)Nc1c(C)cccc1C ZINC000199231816 EH Annotated Anodyne CC[C@@H](C)CN1C(=O)CSC[C@]1(C)C(=O)Nc1c(C)cccc1C ZINC000199231829 EH Annotated Anodyne CC[C@H](C)CN1C(=O)CSC[C@]1(C)C(=O)Nc1c(C)cccc1C ZINC000199231847 EH Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1CCC(C)C ZINC000199231992 EH Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CCC(C)C ZINC000199232010 EH Annotated Anodyne Cc1cc(C)c(-c2c(O)c3c[nH]n(-c4ccccc4)c-3nc2=O)c(C)c1 ZINC000199346134 EH Annotated Anodyne CCCc1nc2ccc(C(=O)OC)cn2c1Cc1ccccc1OC ZINC000199371631 EH Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccccc3[nH]2)N1Cc1ccco1 ZINC000199396643 EH Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccccc3[nH]2)N1Cc1ccco1 ZINC000199396659 EH Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccccc3[nH]2)N1c1ccccn1 ZINC000199396770 EH Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccccc3[nH]2)N1c1ccccn1 ZINC000199396785 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](c2cccc3ccccc23)C1 ZINC000199477594 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2cccc3ccccc23)C1 ZINC000199477617 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](c2ccc3ccccc3c2)C1 ZINC000199477666 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2ccc3ccccc3c2)C1 ZINC000199477687 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(Cl)c2)C[C@@H]1C(=O)O ZINC000199479127 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Cc2cccc(Cl)c2)C[C@@H]1C(=O)O ZINC000199479144 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Cc2cccc(Cl)c2)C[C@H]1C(=O)O ZINC000199479162 EH Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3 ZINC000199574634 EH Annotated Clean CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@]1(O)OC2=O ZINC000199574649 EH Annotated Clean CCCCS(=O)(=O)N1CCCc2nc(-c3ccc(F)cc3)ccc21 ZINC000199724931 EH Annotated Anodyne CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1ccccc1C ZINC000199725197 EH Annotated Anodyne COCCN1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000199726552 EH Annotated Anodyne COCc1[nH]nc2c1[C@@H](c1ccc(C)cc1)N(Cc1ccccc1)C2=O ZINC000199729164 EH Annotated Anodyne COCc1[nH]nc2c1[C@H](c1ccc(C)cc1)N(Cc1ccccc1)C2=O ZINC000199729183 EH Annotated Anodyne COc1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000199729792 EH Annotated Anodyne COc1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000199729806 EH Annotated Anodyne COC(=O)N1C[C@H](OCc2ccccc2)[C@H]2C[C@@H]1c1ccccc1O2 ZINC000199735323 EH Annotated Anodyne CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccccc1-c1ccccc1 ZINC000199736946 EH Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(-c5ccccc5)ccc4CCN3C[C@@H]12 ZINC000199739868 EH Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(Nc5ccccc5)ccc4CCN3C[C@@H]12 ZINC000199740252 EH Annotated Anodyne O=C1N[C@H](c2cccc(C(F)(F)F)c2)c2c(-c3ccccc3)n[nH]c21 ZINC000199890223 EH Annotated Anodyne O=C1N[C@@H](c2cccc(C(F)(F)F)c2)c2c(-c3ccccc3)n[nH]c21 ZINC000199890253 EH Annotated Anodyne O=C1Nc2ccccc2N(CC2CC2)[C@]1(C#CC1CC1)C(F)(F)F ZINC000002008758 EH Annotated Mild CCOP(=S)(OCC)O/N=C(\C#N)c1ccccc1Cl ZINC000002018988 EH Annotated Reactive in-vitro COc1ccc2c(c1)C=C[C@@]1(O2)N(CCO)c2ccccc2C1(C)C ZINC000002215075 EH Annotated Anodyne COc1ccc2c(c1)C=C[C@]1(O2)N(CCO)c2ccccc2C1(C)C ZINC000002215077 EH Annotated Anodyne CC1(C)OC(c2ccccc2)=C/C(=C/C=N/NC(=O)c2ccncc2)O1 ZINC000002266826 EH Annotated Reactive CC[C@@H](C)OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000002432407 EH Annotated Mild Brc1ccc2c(c1)c(-c1ccccc1)nc1nncn12 ZINC000002435940 EH Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000002460039 EH Annotated Anodyne O=C(NCc1ccco1)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002461380 EH Annotated Anodyne CC(C)c1ccc(NS(=O)(=O)c2ccc3nc(O)sc3c2)cc1 ZINC000002461453 EH Annotated Anodyne COc1cc(OC)c(-n2cc(-c3ccc(C)cc3)[nH]c2=O)cc1Cl ZINC000002461867 EH Annotated Anodyne Cc1ccc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=O)cc1Cl ZINC000002461886 EH Annotated Anodyne CCCCNC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2 ZINC000002464925 EH Annotated Anodyne O=c1[nH]c(-c2ccc(F)cc2)cn1-c1ccc(Br)cc1 ZINC000002466189 EH Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]1C ZINC000002467462 EH Annotated Anodyne CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(F)c1 ZINC000002468546 EH Annotated Anodyne CCc1ccc([C@H]2C[C@@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 ZINC000002472116 EH Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 ZINC000002472117 EH Annotated Anodyne CCc1ccc([C@H]2C[C@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 ZINC000002472120 EH Annotated Anodyne O=C1CS[C@@H](c2ccc(Br)cc2)N1Cc1ccco1 ZINC000002474460 EH Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000002478303 EH Annotated Anodyne COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000002480291 EH Annotated Anodyne COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000002482373 EH Annotated Anodyne COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 ZINC000002483083 EH Annotated Anodyne COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 ZINC000002483215 EH Annotated Anodyne Cc1onc(C(C)(C)C)c1C(=O)NCCCN(C)c1ccccc1 ZINC000002483385 EH Annotated Anodyne CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NCCO ZINC000002483857 EH Annotated Anodyne O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3ccccc3c21 ZINC000002492682 EH Annotated Bother O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3ccccc3c21 ZINC000002492684 EH Annotated Bother COC(=O)c1ccc([C@H]2N=C(O)c3c(sc4c3CCCC4)N2)cc1 ZINC000002492842 EH Annotated Anodyne CC[C@H](C)c1nc2nc(N3C[C@H](CC)CC[C@@H]3C)ccc2[nH]c1=O ZINC000002497958 EH Annotated Anodyne CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 ZINC000002497960 EH Annotated Anodyne CCCCc1nc2nc(N3C[C@@H](CC)CC[C@H]3C)ccc2[nH]c1=O ZINC000002499507 EH Annotated Anodyne O=C(NCc1cccs1)c1ccc(C[S@](=O)c2ccccc2)o1 ZINC000002499508 EH Annotated Anodyne CC1CCN(C2=C(NC3CCCC3)C(=O)c3ccccc3C2=O)CC1 ZINC000020060340 EH Annotated Mild CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(Cc2ccccc2)N1 ZINC000020069920 EH Annotated Reactive c1ccc(-n2ncc3[nH]c(-c4ccccc4Cn4cccn4)nc32)cc1 ZINC000020109570 EH Annotated Anodyne COc1nccnc1-c1cccc(-c2ccn(Cc3nccs3)n2)c1 ZINC000020109837 EH Annotated Anodyne CCCn1ncc(-c2ccnc(N3CCC[C@@H]3c3ccccn3)n2)c1C ZINC000020149429 EH Annotated Anodyne CCCn1ncc(-c2ccnc(N3CCC[C@H]3c3ccccn3)n2)c1C ZINC000020149430 EH Annotated Anodyne CC[C@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020152446 EH Annotated Anodyne N#Cc1cccc(Cn2ccc(-c3cccc(-c4cncnc4)c3)n2)c1 ZINC000020203843 EH Annotated Mild COc1ccc(-c2nc3c(cnn3[C@@H](C)C(C)C)[nH]2)cc1CN(C)C ZINC000020210776 EH Annotated Anodyne COc1ccc(-c2nc3c(cnn3[C@H](C)C(C)C)[nH]2)cc1CN(C)C ZINC000020210779 EH Annotated Anodyne O=C1c2ccccc2[C@H](Nc2ccc(Cl)cn2)N1c1ccccn1 ZINC000020213644 EH Annotated Anodyne aggregator O=C1c2ccccc2[C@@H](Nc2ccc(Cl)cn2)N1c1ccccn1 ZINC000020213647 EH Annotated Anodyne aggregator FCCn1ccc(-c2cccc(-c3nccc(C(F)(F)F)n3)c2)n1 ZINC000020232357 EH Annotated Anodyne COc1cc(CCNc2cnnc3c(Cl)cccc23)cc(OC)c1 ZINC000020330277 EH Annotated Anodyne Cc1nc(-c2ccc(CN(C)Cc3ccsc3)cc2)nc(O)c1F ZINC000020363812 EH Annotated Anodyne O=C(O)c1ccc(-c2nc(S)c3c(n2)Oc2ccccc2C3)cc1 ZINC000020380298 EH Annotated Anodyne Cc1nccnc1-c1cccc(-c2ccn(Cc3cscn3)n2)c1 ZINC000020419099 EH Annotated Anodyne Cc1nnc(NCCC(C)C)c2c1nnn2Cc1ccccc1Cl ZINC000020447523 EH Annotated Anodyne Cc1noc(C)c1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000020451875 EH Annotated Anodyne COc1cc(Cl)c(-c2nc3c([nH]2)c(C(C)(C)C)nn3C)c(OC)c1 ZINC000020455602 EH Annotated Anodyne Cc1nn(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc12 ZINC000020464399 EH Annotated Anodyne Cc1nn(C(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccccc12 ZINC000020464402 EH Annotated Anodyne Cc1ccnc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)c1 ZINC000020485185 EH Annotated Anodyne CN(Cc1ccco1)C(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485261 EH Annotated Anodyne COc1cc2c(c(OC)c1OC)CC[C@](OC)(c1ccccc1)O2 ZINC000200009226 EH Annotated Anodyne CC(C)CC1=N[C@@H](Cc2ccccc2)C(=O)c2c(nc3ccccn23)N1 ZINC000200220534 EH Annotated Anodyne C=C[C@@]1(C)CCC2=C(C1=O)[C@@H](O)C[C@H]1[C@](C)(CC(=O)O)CCC[C@]21C ZINC000200556101 EH Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc(F)cc1F ZINC000200821425 EH Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1/C=C/c1ccccc1 ZINC000200826082 EH Annotated Mild CCOc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1 ZINC000200826579 EH Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1c(F)cccc1F ZINC000200827256 EH Annotated Mild Cc1c(F)cccc1-c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C#N ZINC000200828989 EH Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1CCc1ccccc1 ZINC000200830226 EH Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cccc(F)c1F ZINC000200831805 EH Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cc(F)ccc1F ZINC000200834388 EH Annotated Mild COCOc1ccc(-c2cn(-c3ccc(C(=O)O)cc3)cc2C#N)cc1 ZINC000200837040 EH Annotated Mild Cc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1F ZINC000200841136 EH Annotated Mild COCOc1ccccc1-c1cn(-c2ccc(C(=O)O)cc2)cc1C#N ZINC000200842762 EH Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cc(F)cc(F)c1 ZINC000200849012 EH Annotated Mild CC1(C)CCc2c(ccc(C(=O)/C=C/c3ccc(O)c(O)c3)c2O)O1 ZINC000200851875 EH Annotated Mild COC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1 ZINC000200937415 EH Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)CCSc3ccccc32)cc1C ZINC000201461820 EH Annotated Anodyne COc1ccccc1NC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2C ZINC000201479996 EH Annotated Anodyne Cc1cc(O)c2c(c1)Sc1c(c(=O)oc3c(O)c(O)cc(C)c13)N2 ZINC000201557946 EH Annotated Clean Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F ZINC000201757295 EH Annotated Anodyne CCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1 ZINC000202393859 EH Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(OCC3CC3)ccc12 ZINC000202401053 EH Annotated Mild CC(C)Oc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1 ZINC000202401495 EH Annotated Mild CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@](C)(O)[C@@H](O)C1 ZINC000202696156 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=C[C@H](O)C[C@H](C)[C@]21C ZINC000202772328 EH Annotated Mild Cc1cccc(Cl)c1Cn1nc(Cl)c2ncc(C(=O)O)cc21 ZINC000203425291 EH Annotated Anodyne COC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)c(=O)n2c1CCC2 ZINC000203461240 EH Annotated Anodyne COC(=O)c1cc(-c2ccc(C)c3ccccc23)c(=O)n2c1CCC2 ZINC000203461275 EH Annotated Anodyne COC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)c(=O)n2c1CCC2 ZINC000203461281 EH Annotated Anodyne Cc1cccc(Cn2cc(COC(=O)Nc3ccc(F)cc3)nn2)c1 ZINC000203462551 EH Annotated Anodyne Cc1ccccc1Cn1cc(COC(=O)Nc2ccc(F)cc2)nn1 ZINC000203462561 EH Annotated Anodyne COc1ccc(C2=CCN(C)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000203463510 EH Annotated Bother CC(=O)c1ccc([C@H](O)[C@@H](C(=O)N(C)c2ccccc2)C2CC2)cc1 ZINC000203466904 EH Annotated Anodyne C=CCN(C(=O)[C@@H](C)[C@@H](O)c1ccc(C(C)=O)cc1)c1ccccc1 ZINC000203466967 EH Annotated Mild C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)NCc3ccccc3)C2)[C@H]2CCCCN12 ZINC000203467865 EH Annotated Anodyne C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc(C#N)cc3)C2)[C@H]2CCCCN12 ZINC000203468456 EH Annotated Mild CC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 ZINC000203475118 EH Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cn([C@@H](C)c2ccccc2)nn1 ZINC000203475660 EH Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cn([C@H](C)c2ccccc2)nn1 ZINC000203475664 EH Annotated Anodyne Cc1cccc(OCc2cn3c(=O)n(-c4ccc(F)cc4)ccc3n2)c1 ZINC000203690050 EH Annotated Anodyne O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn21 ZINC000203778461 EH Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@H]2[C@H]1CO[Si](C)(C)C(C)(C)C ZINC000203826266 EH Annotated Reactive O=C1N(c2cccc(F)c2)CCc2nc(COc3ccccc3)cn21 ZINC000204294463 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C2=CCC(F)(F)CC2)ccc1F ZINC000204407502 EH Annotated Anodyne C=C(c1ccc(F)cc1)c1ccc(F)c(CN[C@@H](CO)C(C)C)n1 ZINC000204408176 EH Annotated Anodyne CC(C)(CO)CNCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204410621 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C2CCC(F)(F)CC2)ccc1F ZINC000204412008 EH Annotated Anodyne CC(C)Oc1cccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1 ZINC000204412233 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cnc3ccccc3c2)ccc1F ZINC000204412260 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C#CCC2CCCCC2)ccc1F ZINC000204415696 EH Annotated Mild CC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204415939 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(/C=C/c2cccc(F)c2)ccc1F ZINC000204417404 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(Cl)c2)ccc1F ZINC000204418690 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2ccc3occc3c2)ccc1F ZINC000204419587 EH Annotated Anodyne C[C@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)[C@@H](C)O ZINC000204420587 EH Annotated Anodyne C[C@@H](O)[C@@H](C)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204420599 EH Annotated Anodyne C[C@H](O)[C@H](C)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204420615 EH Annotated Anodyne C[C@H](O)[C@@H](C)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204420634 EH Annotated Anodyne OCC1(NCc2cccc(-c3ccc(F)c(Cl)c3)n2)CCCC1 ZINC000204420756 EH Annotated Anodyne CC(C)[C@@H](CO)NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204421239 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc([C@@H]2CCc3ccccc3C2)ccc1F ZINC000204421388 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc([C@H]2CCc3ccccc3C2)ccc1F ZINC000204421406 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc([C@@H](C)c2ccc(F)cc2)ccc1F ZINC000204423735 EH Annotated Anodyne CC(C)[C@H](CO)NCc1nc([C@H](C)c2ccc(F)cc2)ccc1F ZINC000204423753 EH Annotated Anodyne O=c1[nH]c2ccc(O)c(-c3ccc4c(c3)CNCC4)c2c2ccsc12 ZINC000204653410 EH Annotated Anodyne Cc1cc(=O)c2c(O)c(/C=C\C(C)(C)O)c3c(c2o1)C=CC(C)(C)O3 ZINC000204939629 EH Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000204956931 EH Annotated Mild CCn1ccnc1Cn1ccc(-c2cccc(-c3nccnc3C)c2)n1 ZINC000020513157 EH Annotated Anodyne CC1CCN(C(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020531001 EH Annotated Anodyne CC1CCN(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020531002 EH Annotated Anodyne CCn1nc(C)c(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)c1C ZINC000020600276 EH Annotated Anodyne CCn1nc(C)c(CN2CCC[C@H](N(C)Cc3ccccc3)C2)c1C ZINC000020600277 EH Annotated Anodyne CC1=C[C@]2(CC[C@@H](C)C[C@@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O ZINC000020676851 EH Annotated Anodyne OCCn1ccc(-c2cccc(-c3cc(C(F)(F)F)ccn3)c2)n1 ZINC000020866775 EH Annotated Anodyne CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCCC[C@H]1C ZINC000020900818 EH Annotated Anodyne CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCCC[C@@H]1C ZINC000020900819 EH Annotated Anodyne CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(C)CC1 ZINC000020900821 EH Annotated Anodyne CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1C[C@H](C)C[C@@H](C)C1 ZINC000020900830 EH Annotated Anodyne CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1C[C@@H](C)C[C@@H](C)C1 ZINC000020900832 EH Annotated Anodyne CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1C[C@@H](C)C[C@H](C)C1 ZINC000020900835 EH Annotated Anodyne Cc1[nH]c([C@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccc(F)c(F)c1 ZINC000020909536 EH Annotated Anodyne Cc1[nH]c([C@@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccc(F)c(F)c1 ZINC000020909539 EH Annotated Anodyne CC(C)[C@H]1CN(C)CCN1Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000020911411 EH Annotated Anodyne c1cc(-c2ccn(CCN3CCOCC3)n2)cc(-c2cccs2)c1 ZINC000020995888 EH Annotated Anodyne c1cncc(Cn2[nH]cc3nc(-c4c[nH]nc4C4CCCCC4)nc2-3)c1 ZINC000020996580 EH Annotated Anodyne CCc1c(-c2nc(-c3c(C)ncc4c3CCNC4)no2)csc1C ZINC000020999518 EH Annotated Anodyne CC(C)c1cc(CNCc2c[nH]nc2-c2ccc(F)cc2F)on1 ZINC000020999650 EH Annotated Anodyne O=C1CC[C@H](O[C@@H]2CCC(=O)c3c(O)cccc32)c2c(O)cccc21 ZINC000205004627 EH Annotated Anodyne C=C[C@@](C)(O)[C@H](O)C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C ZINC000205084115 EH Annotated Mild C=C[C@@](C)(O)[C@H](O)C[C@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]12C ZINC000205084134 EH Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@@H](O)/C(C)=C/CO ZINC000205352910 EH Annotated Mild OCc1ccc(OCc2ccc(O)c(Cc3ccc(O)cc3)c2)cc1 ZINC000205384123 EH Annotated Anodyne C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C)C(C)(C)O ZINC000205422975 EH Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(=O)O)cnc12 ZINC000205648945 EH Annotated Anodyne Cc1nn(Cc2c(Cl)cccc2C#N)c2cc(CC(=O)O)ccc12 ZINC000205653339 EH Annotated Mild CCc1nn(Cc2c(C)cccc2Cl)c2cc(C(=O)O)cnc12 ZINC000205654355 EH Annotated Anodyne Cc1nn(Cc2cccc3cccnc23)c2cc(CC(=O)O)ccc12 ZINC000205661626 EH Annotated Anodyne C=C[C@@]1(C)C(=O)C=C2[C@]3(CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC)O[C@@H]31 ZINC000205700241 EH Annotated Mild Cc1ccccc1CN[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205705558 EH Annotated Anodyne O=C1CCC[C@H]2C[C@H](NCc3ccccc3F)CC[C@]23CCCN13 ZINC000205705606 EH Annotated Anodyne Cc1cccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)c1 ZINC000205705654 EH Annotated Anodyne O=C1CCC[C@H]2C[C@H](NCc3cccc(F)c3)CC[C@]23CCCN13 ZINC000205705706 EH Annotated Anodyne O=C1CCC[C@H]2C[C@H](NCc3ccc(F)cc3)CC[C@]23CCCN13 ZINC000205705854 EH Annotated Anodyne Cc1ccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1 ZINC000205705885 EH Annotated Anodyne O=C1CCC[C@H]2C[C@H](NCc3ccc(F)cc3F)CC[C@]23CCCN13 ZINC000205705969 EH Annotated Anodyne COc1cccc2cc3c(nc12)C[C@@H]1CCCC(=O)N2CCC[C@@]12C3 ZINC000205706187 EH Annotated Anodyne CCC(CC)NC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205711191 EH Annotated Anodyne C[C@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205711317 EH Annotated Anodyne C=CCCC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1CCC ZINC000205712398 EH Annotated Mild CCC[C@H]1[C@@H](NC(=O)C2CCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205712425 EH Annotated Anodyne O=C(NC1CCCCC1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205712698 EH Annotated Anodyne C[C@H]1[C@@H](NCc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713359 EH Annotated Anodyne C[C@H]1[C@@H](NCc2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713409 EH Annotated Anodyne C=CCN1C/C(=C/c2ccccc2)N2C(=O)C[C@@H](c3ccccc3)N=C12 ZINC000205717369 EH Annotated Mild C=CCN1C/C(=C/c2ccccc2)N2C(=O)C[C@H](c3ccccc3)N=C12 ZINC000205717386 EH Annotated Mild COc1cc2onc([C@H]3CCCN3C(=O)C(C)(C)C)c2cc1OC ZINC000206029973 EH Annotated Anodyne O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1noc2ccccc12 ZINC000206035415 EH Annotated Bother CN(C)[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206040945 EH Annotated Anodyne CN(C)[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206040970 EH Annotated Anodyne CC1(C)OB(c2cc(CO[Si](C)(C)C(C)(C)C)ccn2)OC1(C)C ZINC000206101900 EH Annotated Reactive CN(C)c1ccc(/C=C2/SC(N(C)c3ccccc3)=NC2=O)cc1 ZINC000206111320 EH Annotated Clean CC(C)(C)Oc1c(OC2CC2)cccc1B1OC(C)(C)C(C)(C)O1 ZINC000206124766 EH Annotated Mild CC(C)(C)Oc1cc(OC2CC2)ccc1B1OC(C)(C)C(C)(C)O1 ZINC000206124853 EH Annotated Mild CC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC1CC1 ZINC000206124912 EH Annotated Mild CC(C)(C)Oc1cc(OC2CC2)cc(B2OC(C)(C)C(C)(C)O2)c1 ZINC000206124966 EH Annotated Mild CC(C)(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC2CC2)c1 ZINC000206125038 EH Annotated Mild CC(C)(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC1CC1 ZINC000206125069 EH Annotated Mild CC(C)(C)Oc1ccc(OC2CC2)c(B2OC(C)(C)C(C)(C)O2)c1 ZINC000206125095 EH Annotated Mild CC(C)(C)Oc1ccc(OC2CC2)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206125153 EH Annotated Mild CC(C)(C)Oc1cccc(OC2CC2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206125185 EH Annotated Mild CC(C)(C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1 ZINC000206125509 EH Annotated Mild CC1(C)OB(c2c(OC3CC3)cccc2C(F)(F)F)OC1(C)C ZINC000206127738 EH Annotated Mild CC1(C)OB(c2cc(OC3CC3)ccc2C(F)(F)F)OC1(C)C ZINC000206128043 EH Annotated Mild CC1(C)OB(c2cc(C(F)(F)F)ccc2OC2CC2)OC1(C)C ZINC000206128575 EH Annotated Mild CC1(C)OB(c2cc(OC3CC3)cc(C(F)(F)F)c2)OC1(C)C ZINC000206128813 EH Annotated Mild CC1(C)OB(c2ccc(C(F)(F)F)c(OC3CC3)c2)OC1(C)C ZINC000206129058 EH Annotated Mild CC1(C)OB(c2ccc(C(F)(F)F)cc2OC2CC2)OC1(C)C ZINC000206129141 EH Annotated Mild CC1(C)OB(c2ccc(OC3CC3)c(C(F)(F)F)c2)OC1(C)C ZINC000206129262 EH Annotated Mild CC1(C)OB(c2ccc(OC3CC3)cc2C(F)(F)F)OC1(C)C ZINC000206129501 EH Annotated Mild CC1(C)OB(c2cccc(C(F)(F)F)c2OC2CC2)OC1(C)C ZINC000206129653 EH Annotated Mild CC1(C)OB(c2cccc(OC3CC3)c2C(F)(F)F)OC1(C)C ZINC000206129854 EH Annotated Mild CC1(C)OB(c2cn(-c3ccccc3)cc2Br)OC1(C)C ZINC000206161923 EH Annotated Mild CC(C)c1cn(C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206163449 EH Annotated Mild CC1(C)OB(c2ccc(Br)n2-c2ccccc2)OC1(C)C ZINC000206166622 EH Annotated Mild CC1(C)OB(c2cc(Br)cn2-c2ccccc2)OC1(C)C ZINC000206167567 EH Annotated Mild CC1(C)OB(c2ccc(N=C=S)c(C(F)(F)F)c2)OC1(C)C ZINC000206187794 EH Annotated Reactive CC(C)(C)Oc1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206189728 EH Annotated Mild CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F ZINC000206201886 EH Annotated Mild CC1(C)OB([C@@H]2C=CC=C(Br)[C@@H]2OC2CC2)OC1(C)C ZINC000206230681 EH Annotated Mild CC1(C)OB([C@H]2C=CC=C(Br)[C@@H]2OC2CC2)OC1(C)C ZINC000206230712 EH Annotated Mild CC1(C)OB([C@@H]2C=CC=C(Br)[C@H]2OC2CC2)OC1(C)C ZINC000206230738 EH Annotated Mild CC1(C)OB([C@H]2C=CC=C(Br)[C@H]2OC2CC2)OC1(C)C ZINC000206230768 EH Annotated Mild CC1(C)OB([C@H]2C(Br)=CC=C[C@H]2OC2CC2)OC1(C)C ZINC000206231635 EH Annotated Mild CC1(C)OB([C@@H]2C(Br)=CC=C[C@H]2OC2CC2)OC1(C)C ZINC000206231662 EH Annotated Mild CC1(C)OB([C@H]2C(Br)=CC=C[C@@H]2OC2CC2)OC1(C)C ZINC000206231694 EH Annotated Mild CC1(C)OB([C@@H]2C(Br)=CC=C[C@@H]2OC2CC2)OC1(C)C ZINC000206231723 EH Annotated Mild C[C@@H]1C(=O)C=C2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000206238202 EH Annotated Mild COc1cc2cc(c1O)-c1cc(ccc1O)CC[C@H](O)CCCC2 ZINC000206625583 EH Annotated Anodyne C[C@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CC/C(=C/CO)CO ZINC000206714118 EH Annotated Anodyne C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)[C@@]2(C)[C@H](/C=C/C(C)(C)O)OC ZINC000206714410 EH Annotated Mild C[C@@H](Nc1c(Nc2ccc3[nH]ccc3c2)c(=O)c1=O)C1CCCCC1 ZINC000206833099 EH Annotated Anodyne CC(C)[C@]1(O)CCC[C@@]2(O)[C@H]1CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000207162462 EH Annotated Anodyne CC(C)[C@@]1(O)CCC2=C(CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]23C)[C@@H]1O ZINC000207321893 EH Annotated Anodyne O=c1[nH]c2ccc(-c3csc(-c4ccc(F)cc4CO)n3)cc2o1 ZINC000207631280 EH Annotated Anodyne C=C[C@@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)CC(C)C)O1 ZINC000207658142 EH Annotated Mild C=C[C@@](C)(O)C/C=C/[C@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)CC(C)C)O1 ZINC000207666733 EH Annotated Mild CC(C)C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 ZINC000207703162 EH Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CCOC1=O ZINC000209369598 EH Annotated Anodyne CNc1ccccc1OCc1ccc(I)cc1 ZINC000209447857 EH Annotated Anodyne C=C(C)/C=C/[C@]12C(=O)C=CC(=O)[C@]13CC(C)=C[C@H]2c1cc(O)ccc1O3 ZINC000209457266 EH Annotated Mild CC1=CCC[C@@H]2[C@@](C)(CC/C(=C/C(=O)O)CO)[C@H](C)C[C@H](O)[C@@]12C ZINC000209645005 EH Annotated Anodyne C=C1CCC[C@@H]2[C@@](C)(CC/C(=C/C(=O)O)CO)[C@H](C)C[C@H](O)[C@@]12C ZINC000209645122 EH Annotated Mild CC(C)=CCc1cc2c(cc1O)O/C(=C/c1ccc(O)c(O)c1)C2=O ZINC000209696639 EH Annotated Mild CC(C)[C@@H]1CC[C@@]23O[C@@]2(CC[C@@H]2[C@]3(C)CCC[C@@]2(C)C(=O)O)[C@H]1O ZINC000209727146 EH Annotated Anodyne COc1ccc(-c2cc(-c3ccccc3[N+](=O)[O-])no2)c([N+](=O)[O-])c1 ZINC000209982770 EH Annotated Bother COC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CCCCC2 ZINC000021087838 EH Annotated Anodyne COC(C)(C)[C@@H](O)Cc1c(C)cc(O)cc1Oc1cc(C)cc(O)c1 ZINC000210356061 EH Annotated Anodyne COC(=O)[C@]12CCC[C@@]3(C=NC1)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 ZINC000210696602 EH Annotated Anodyne Cc1ncc2sc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)nn12 ZINC000210697593 EH Annotated Anodyne in-vitro C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=C[C@H](O)C[C@H](C)[C@]21C ZINC000210720410 EH Annotated Mild C/C1=C\C[C@H](O)/C(C(=O)O)=C/[C@@H]2[C@@H](CC[C@@]3(C)O[C@@H]3CC1)C2(C)C ZINC000210785476 EH Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@H]1C(=O)C=CN[C@@H]1c1ccc2c(c1)OCO2 ZINC000210995585 EH Annotated Reactive CCCCOc1cccc2cc(C(=O)N3CCCCC3)c(=O)oc12 ZINC000211053109 EH Annotated Anodyne CC[C@@H]1C(=O)C[C@H]2CCN(C(=O)c3ccccc3)[C@H]3CCC[C@@H]1[C@@H]32 ZINC000211060552 EH Annotated Anodyne CC[C@@H]1C(=O)C[C@H]2CCN(C(=O)Cc3ccsc3)[C@H]3CCC[C@@H]1[C@@H]32 ZINC000211060730 EH Annotated Anodyne COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(C)[C@H]4CCC[C@@H]2[C@@H]43)cc1 ZINC000211062467 EH Annotated Anodyne CC1(C)C=Cc2c(ccc(C(=O)/C=C\c3ccc(O)cc3O)c2O)O1 ZINC000211982442 EH Annotated Mild COC(=O)c1cc(OC)c2[nH]c3ccccc3c2c1/C=C\C(C)(C)O ZINC000214123676 EH Annotated Anodyne Cc1ccsc1CN1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000021640271 EH Annotated Anodyne CC(=O)N1N=C(c2cc(C)nc3ccccc23)O[C@@H]1c1cccs1 ZINC000021941146 EH Annotated Anodyne CC(=O)N1N=C(c2cc(C)nc3ccccc23)O[C@H]1c1cccs1 ZINC000021941149 EH Annotated Anodyne CC1(C)CCc2c(ccc(C(=O)/C=C\c3ccc(O)c(O)c3)c2O)O1 ZINC000215186314 EH Annotated Mild CC(C)=CCC[C@]1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)C)C[C@H]1O ZINC000215463998 EH Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)C)C[C@H]1O ZINC000215464038 EH Annotated Anodyne CC(C)=CCC[C@]1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)C)C[C@@H]1O ZINC000215464087 EH Annotated Anodyne C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1C[C@@]2(C)[C@]1(O)C=C[C@@](C)(CO)OO1 ZINC000216021952 EH Annotated Reactive CC(C)[C@@H](CO)NCc1nc(-c2ccc3scnc3c2)ccc1F ZINC000216158779 EH Annotated Anodyne CC(C)[C@@H](CO)NCc1nc(-c2ccc(Cl)s2)ccc1F ZINC000216166882 EH Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@@](C)(O)[C@H](CC(=O)CCCCC)C2 ZINC000216497624 EH Annotated Mild CCCCCC(=O)C[C@@H]1CC(CC(=O)CCC)=C(C)C(=O)[C@@]1(C)O ZINC000216497763 EH Annotated Mild O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c2ccccc12 ZINC000216554932 EH Annotated Bother C=CCC/C=C\C#CC#CCCCCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O ZINC000216914402 EH Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/COc1ccc(/C=C/CO)cc1OC ZINC000216917383 EH Annotated Mild COc1ccc(-c2cc3[nH]c(NC(C)(C)C)nc(=O)c3s2)cc1 ZINC000217033886 EH Annotated Anodyne NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1 ZINC000218394469 EH Annotated Anodyne NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1 ZINC000218394550 EH Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2c2ccccc2)n1)C1CC1 ZINC000218484991 EH Annotated Anodyne Cc1ccc(OC2CCNCC2)c(-c2nc(Cc3ccccc3)no2)c1 ZINC000218583002 EH Annotated Anodyne Cc1cccc(-c2nc(Cc3ccccc3)no2)c1OC1CCNCC1 ZINC000218583087 EH Annotated Anodyne CC(C)(NC(=O)c1nn(C(C)(C)C)c2c1C[C@H]1C[C@@H]21)c1ccccc1 ZINC000218904877 EH Annotated Anodyne COc1cccc2c(NCc3ccccc3)nc(Nc3ncc[nH]3)nc12 ZINC000219003204 EH Annotated Anodyne C=C[C@@](C)(O)CC[C@H]1C(=C)[C@@H](O)C[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C ZINC000219619150 EH Annotated Mild O=C(NCC1CCC1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000219757989 EH Annotated Anodyne CC(F)(F)c1[nH]nc2cc(NC(=O)NCc3ccc(F)cc3)ncc12 ZINC000219773381 EH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2n[nH]c(C(F)F)c2cn1)c1ccc(F)cc1 ZINC000219773477 EH Annotated Anodyne CC1=C[C@H](C)[C@H]([C@@H]2OCCN2C[C@@H]2COC3(CCCCC3)O2)[C@H](C)C1 ZINC000022017994 EH Annotated Anodyne CC1=C[C@H](C)[C@H]([C@@H]2OCCN2C[C@@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000022017997 EH Annotated Anodyne Cc1noc(C)c1[C@H](c1ccc(C(C)C)cc1)N1CCN(C)CC1 ZINC000022035003 EH Annotated Anodyne C[C@H]1CN(C)[C@H](C)C/C1=N/OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000022108056 EH Annotated Mild C[C@H]1CN(C)[C@@H](C)C/C1=N/OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000022108061 EH Annotated Mild C[C@H]1C/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)CN1C ZINC000022108071 EH Annotated Mild Oc1ccc(Br)cc1[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000022204739 EH Annotated Clean Oc1ccc(Br)cc1[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000022204743 EH Annotated Clean O=C1C(NC2CCCCC2)=C(N2CCCCC2)C(=O)c2ccccc21 ZINC000022340749 EH Annotated Mild Cc1noc(C)c1[C@@H]1C[C@@](C)(c2ccc(F)cc2F)N=C(N)S1 ZINC000220036741 EH Annotated Anodyne in-vitro O=C(Nc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1)C1CC1 ZINC000220121699 EH Annotated Anodyne CN1CCC(c2cc3c(-c4nc(N)ccc4Cl)ccnc3[nH]2)CC1 ZINC000220249819 EH Annotated Anodyne Cc1ccccc1Oc1ccc(N2N=C(C#N)C[C@H]2CC(=O)O)cc1 ZINC000220375659 EH Annotated Mild Cc1ccccc1Oc1ccc(N2N=C(C#N)C[C@@H]2CC(=O)O)cc1 ZINC000220375730 EH Annotated Mild CC(C)(C)OC(=O)NCc1nc(-c2nc3ccccc3[nH]2)cs1 ZINC000220716771 EH Annotated Anodyne Cc1c(S(N)(=O)=O)cc2c(c1C)O[C@](C)(CCCC(C)C)CC2 ZINC000220732381 EH Annotated Anodyne Cc1c(S(N)(=O)=O)cc2c(c1C)O[C@@](C)(CCCC(C)C)CC2 ZINC000220732448 EH Annotated Anodyne CCOC(=O)c1ccc(Nc2cc(C)nc(-c3cccnc3)n2)cc1 ZINC000220943043 EH Annotated Anodyne CC(=O)Nc1cccc(-c2cc3c4ccccc4n(C(C)=O)c3nn2)c1 ZINC000221009979 EH Annotated Anodyne O=Cc1c(O)ccc2cc(-c3ccc(Br)cc3)c(=O)oc12 ZINC000221057070 EH Annotated Anodyne O=Cc1c(O)ccc2nc(-c3cccc(C(=O)N4CCCC4)c3)ccc12 ZINC000221063872 EH Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1cccc(O)c1 ZINC000221076309 EH Annotated Anodyne C/C=C/C=C/C=C(\CO)[C@H](OCc1c(O)cccc1CCC)[C@H](C)O ZINC000221082521 EH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H]2CCc3ccccc32)n1 ZINC000221120118 EH Annotated Anodyne CC(C)[C@H]1NN=C2C(C(F)(F)F)=CC=CN2/C1=N/Cc1ccccc1 ZINC000221404906 EH Annotated Mild CC(C)[C@@H]1NN=C2C(C(F)(F)F)=CC=CN2/C1=N/Cc1ccccc1 ZINC000221404961 EH Annotated Mild COC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)CCC(C(C)C)=C1C[C@H](O)[C@@H]2C ZINC000221506351 EH Annotated Anodyne CCOC(=O)c1ccc(Nc2ccnc(-c3cccnc3)n2)c(F)c1 ZINC000221581396 EH Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)[C@H]1CC=Nc2c1cccc2C(F)(F)F ZINC000221624857 EH Annotated Anodyne CC[C@@H]1[C@H](C)[C@H](Cc2ccc(C(=O)N=C(N)N)cc2)CCC1(C)C ZINC000221688070 EH Annotated Mild CC[C@@H]1[C@@H](C)[C@H](Cc2ccc(C(=O)N=C(N)N)cc2)CCC1(C)C ZINC000221688189 EH Annotated Mild CC1(C)CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221844772 EH Annotated Mild CC1(C)CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221844824 EH Annotated Mild Cc1cc(C)c(Oc2nc(N)nc(Nc3cccc(C#N)c3)n2)c(C)c1 ZINC000222309360 EH Annotated Mild CNC(=O)c1ccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(OC)c1 ZINC000222342540 EH Annotated Anodyne CC(C)(CCCOc1ccc(-n2nc3ccccc3n2)cc1)C(=O)O ZINC000222632570 EH Annotated Anodyne COc1cccc2sc(-c3cn4nc(SC)sc4n3)nc12 ZINC000223068592 EH Annotated Anodyne C[C@@H](c1c(F)cccc1F)n1cc(C(=O)NCCF)c2ncccc21 ZINC000223151230 EH Annotated Anodyne C[C@H](c1c(F)cccc1F)n1cc(C(=O)NCCF)c2ncccc21 ZINC000223151289 EH Annotated Anodyne Cc1nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2c1C ZINC000223418729 EH Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC/C=C(/C)CCC2=O ZINC000223577265 EH Annotated Mild CC(C)Cc1csc2nc(-c3ccncc3)nc(NC[C@H](C)N)c12 ZINC000223658744 EH Annotated Anodyne CC(C)c1cc2c(NC[C@@H](C)N)nc(-c3ccncc3)nc2s1 ZINC000223673367 EH Annotated Anodyne C[C@@H](N)CNc1nc(-c2ccncc2)nc2cc(C(C)(C)C)sc12 ZINC000223681954 EH Annotated Anodyne C[C@H](N)CNc1nc(-c2ccncc2)nc2cc(C(C)(C)C)sc12 ZINC000223682183 EH Annotated Anodyne CC(C)Cc1csc2nc(-c3ccncc3)nc(NC[C@@H](C)N)c12 ZINC000223685579 EH Annotated Anodyne NCCNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12 ZINC000223686819 EH Annotated Anodyne COc1cncc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)c1 ZINC000223800625 EH Annotated Anodyne CN(C)c1ccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)cc1 ZINC000223802690 EH Annotated Anodyne CCOc1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN ZINC000223873102 EH Annotated Mild in-vitro CC(C)Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 ZINC000224544068 EH Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccncn3)c2F)cn1 ZINC000224547025 EH Annotated Anodyne CC(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 ZINC000224549642 EH Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H]3CCCO3)c2F)cn1 ZINC000224552892 EH Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H]3CCCO3)c2F)cn1 ZINC000224552937 EH Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnnc3)c2F)cn1 ZINC000224553494 EH Annotated Anodyne Nc1ccc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)nn1 ZINC000224553562 EH Annotated Anodyne CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1Oc1ncccn1 ZINC000224553945 EH Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3cnccn3)c2F)cn1 ZINC000224572123 EH Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3cccnn3)c2F)cn1 ZINC000224575970 EH Annotated Anodyne COC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1O ZINC000224613853 EH Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3N3CCCC3)cc2F)cn1 ZINC000224709722 EH Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3OC3CCC3)cc2F)cn1 ZINC000224777246 EH Annotated Anodyne Cn1cc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1 ZINC000224798842 EH Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3OCC3CC3)cc2F)cn1 ZINC000224836091 EH Annotated Anodyne Cc1cc(Cl)cc(Cl)c1OCCCCCN1CCNCC1 ZINC000022577140 EH Annotated Anodyne OCC[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CCN1C1CCCC1 ZINC000022932602 EH Annotated Anodyne OCC[C@H]1CN(C/C(Cl)=C/c2ccccc2)CCN1C1CCCC1 ZINC000022932605 EH Annotated Anodyne CCC[C@@H](CN[C@@H](CNC)C(C)C)NCCCCc1ccccc1 ZINC000022938904 EH Annotated Anodyne Clc1ccc2ccn(CCN3CCCN4CCCC[C@@H]4C3)c2c1 ZINC000022940028 EH Annotated Anodyne COc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1 ZINC000225184769 EH Annotated Anodyne COc1ccccc1-c1noc(CNC23CC4CC(CC(C4)C2)C3)n1 ZINC000225185289 EH Annotated Anodyne COc1c(C(=O)/C=C(/O)c2ccc3c(c2)OCO3)ccc2occc12 ZINC000225579793 EH Annotated Mild COc1ccc(C(=O)OCC/C(C)=C/C(=O)C=C(C)C)cc1OC ZINC000225799655 EH Annotated Mild Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OCC2CC2)cc1 ZINC000225952581 EH Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(C)C3)cc12 ZINC000226060361 EH Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(C)C3)cc12 ZINC000226060372 EH Annotated Anodyne CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H]2C(=O)O ZINC000227406838 EH Annotated Anodyne C=C1[C@H](O)[C@@]23CC[C@@H]4[C@]5(C)CCC[C@@]4([C@@H]4OCCN4C5)[C@@H]2CC[C@@H]1C3 ZINC000227596598 EH Annotated Mild in-vitro C=C1[C@H](O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@]4([C@@H]4OCCN4C5)[C@@H]2CC[C@@H]1C3 ZINC000227596603 EH Annotated Mild in-vitro C=C1[C@H](O)[C@@]23CC[C@@H]4[C@]5(C)CCC[C@]4([C@@H]4OCCN4C5)[C@@H]2CC[C@@H]1C3 ZINC000227596607 EH Annotated Mild in-vitro C=C1[C@H](O)[C@@]23CC[C@@H]4[C@]5(C)CCC[C@]4(CN4CCO[C@H]45)[C@@H]2CC[C@@H]1C3 ZINC000227596657 EH Annotated Mild in-vitro C=C1[C@H](O)[C@@]23CC[C@H]4[C@]5(CCC[C@@]4(C)[C@@H]4OCCN4C5)[C@@H]2CC[C@@H]1C3 ZINC000227596661 EH Annotated Mild in-vitro COc1cc(F)c(-c2nc3c(C)[nH]n([C@@H](C)C4CC4)c-3n2)cc1OC ZINC000023153509 EH Annotated Anodyne COc1cc(F)c(-c2nc3c(C)[nH]n([C@H](C)C4CC4)c-3n2)cc1OC ZINC000023153510 EH Annotated Anodyne Cc1ccccc1SCC(=O)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023214133 EH Annotated Anodyne O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([C@@H]2CCCN2)s1 ZINC000023214657 EH Annotated Anodyne O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([C@H]2CCCN2)s1 ZINC000023214660 EH Annotated Anodyne Cc1cnc(C)c(-c2cccc(-c3ccn(Cc4cc(C)on4)n3)c2)n1 ZINC000023214734 EH Annotated Anodyne CCCCc1cn(C2CCN(C(=O)Nc3ccccc3F)CC2)nn1 ZINC000023250385 EH Annotated Anodyne CC1(C)CC(N2CCN(C3CCCC3)[C@@H](CCO)C2)CC(C)(C)C1 ZINC000023359582 EH Annotated Anodyne O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc([C@@H]2CCCN2)s1 ZINC000023367503 EH Annotated Anodyne O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc([C@H]2CCCN2)s1 ZINC000023367506 EH Annotated Anodyne CN(Cc1cnn(C)c1)Cc1cnc(Nc2cccc(Cl)c2)s1 ZINC000023431528 EH Annotated Anodyne Cc1cnc(C)c(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)n1 ZINC000023479212 EH Annotated Anodyne C=C[C@](C)(O)CC/C=C(/C)COC(=O)[C@H](C)[C@@H]1CC[C@](C)(C=C)O1 ZINC000230032792 EH Annotated Mild C=C[C@](C)(O)CC/C=C(/C)COC(=O)[C@H](C)[C@H]1CC[C@](C)(C=C)O1 ZINC000230032800 EH Annotated Mild C[C@@H]1C(=O)c2ccc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 ZINC000230068342 EH Annotated Anodyne in-man endogenous C[C@@H]1[C@@H](C)C(=O)c2ccc3c(c2[C@H]1c1ccc2c(c1)OCO2)OCO3 ZINC000230068346 EH Annotated Anodyne in-man CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230073649 EH Annotated Anodyne CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000230083962 EH Annotated Mild in-man CC(C)C1=C[C@]2(O)CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000230083969 EH Annotated Mild in-man CC(C)C1=C[C@@]2(O)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000230083972 EH Annotated Mild in-man CC(C)C1=C[C@]2(O)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1=O ZINC000230083978 EH Annotated Mild in-man CC1=CN([C@@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@@H]12 ZINC000230093623 EH Annotated Anodyne in-man CC1=CN([C@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@@H]12 ZINC000230093628 EH Annotated Anodyne in-man CC1=CN([C@@H]2OC(=O)[C@H]3[C@@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@@H]12 ZINC000230093632 EH Annotated Anodyne in-man CC1=CN([C@H]2OC(=O)[C@H]3[C@@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@@H]12 ZINC000230093635 EH Annotated Anodyne in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@H]1CC(=O)[C@H]2[C@@H](C)O ZINC000230102118 EH Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@H]2[C@@H](C)O ZINC000230102122 EH Annotated Mild in-man CC(C)[C@H](NC(=S)NCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000230504036 EH Annotated Anodyne CCc1nn(-c2ncc(F)c(NC(C)C)n2)c(N)c1C1CCCCC1 ZINC000230565587 EH Annotated Anodyne Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3ccn[nH]3)cs2)nc1 ZINC000230566625 EH Annotated Anodyne Cc1ccc(Nc2nc([C@H]3CCCN3Cc3ccn[nH]3)cs2)nc1 ZINC000230566644 EH Annotated Anodyne CCCCC[C@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000231931101 EH Annotated Anodyne CCCCC[C@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000231931105 EH Annotated Anodyne CCCCC[C@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000231931107 EH Annotated Anodyne CC/C=C\C[C@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000231931110 EH Annotated Anodyne CC/C=C\C[C@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000231931114 EH Annotated Anodyne CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000231931117 EH Annotated Anodyne Cc1nnc(NC(=O)N(C)Cc2csc(-c3ccccc3)n2)s1 ZINC000023541071 EH Annotated Anodyne Oc1cc(C2Cc3ccccc3C2)nc2nc(C3CCCCC3)nn12 ZINC000023581023 EH Annotated Anodyne Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCC(C)CC2)cc1 ZINC000023643602 EH Annotated Anodyne Cc1ccc([C@H](c2sc3ncnn3c2O)N2CCC(C)CC2)cc1 ZINC000023643605 EH Annotated Anodyne COc1ccc2c(c(OC)nc3c4cc5c(cc4ccc23)OCO5)c1O ZINC000238730714 EH Annotated Bother COC(=O)/C=C/c1cc2c(c(/C=C/C(C)(C)O)c1)OC(C)(C)C=C2 ZINC000238730715 EH Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@]2(OC(=O)C[C@H]3C(C)(C)CCC[C@@]32C)O1 ZINC000238730801 EH Annotated Anodyne C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4([C@H]4OCCN4C5)[C@@H]3C2)[C@@H]1O ZINC000238730819 EH Annotated Mild C=C1C(=O)O[C@@H]2C/C(COC(=O)CC(C)C)=C\C=C/[C@@H](C)CC[C@@H]12 ZINC000238730910 EH Annotated Mild Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)[C@H](CCC[C@@]1(C)O)C2=O ZINC000238730924 EH Annotated Anodyne C[C@@H]1C2=CC(=O)OC2=C[C@@H]2[C@@H]1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C ZINC000238730941 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@@]1(C)O ZINC000238730965 EH Annotated Mild C=C1CC[C@@H]2CCC(C(=O)OC)=C(C(=O)C/C(C)=C/[C@@H](O)C1)C2(C)C ZINC000238731002 EH Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@@H]3[C@@H](O)CC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C ZINC000238731098 EH Annotated Anodyne C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@]1(C)CCC1=CC(=O)OC1 ZINC000238731278 EH Annotated Anodyne C=C[C@](C)(O)[C@@H](O)C[C@H]1C(=C)CC[C@H]2[C@](C)(C(=O)O)CCC[C@]12C ZINC000238731401 EH Annotated Mild C=C1[C@@H]2CC[C@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@H]45)[C@@H]3C2)[C@@H]1O ZINC000238731524 EH Annotated Mild COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)O ZINC000238731822 EH Annotated Anodyne CC[C@H]1C[C@@](CC)(C[C@H](C)C[C@@H](CC)C(=O)O)OO[C@H]1CC(=O)O ZINC000238731835 EH Annotated Reactive C=C(C)[C@H](O)CCC1=CC[C@@H](/C(C)=C/CC/C(C)=C\CO)OC1=O ZINC000238732098 EH Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)c3c(C)coc3C(=O)[C@H]12 ZINC000238732375 EH Annotated Anodyne C=C/C(C)=C\C=C\[C@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](O)C(C)(C)O1 ZINC000238732466 EH Annotated Anodyne C=C1O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\C)[C@H](OC(C)=O)C[C@@H]2[C@H]1C ZINC000238732481 EH Annotated Mild CC1(C)CCC[C@@]2(C)[C@H](CCC3=CC(=O)O[C@H]3O)C(C=O)=CC[C@H]12 ZINC000238732529 EH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238732539 EH Annotated Mild C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)OC)C(=O)OC[C@@H]12 ZINC000238732600 EH Annotated Mild CC1=CC(=O)CC(C)(C)[C@@H]1CC/C(=C/CCC1=CC(=O)OC1)CO ZINC000238732660 EH Annotated Mild C=C1CCCC(C)(C)[C@@H]2C[C@@](C)([C@H]3[C@@H]4CC(=O)O[C@@H]4O[C@H]3O)C[C@H]12 ZINC000238732664 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@H]2O[C@]12C ZINC000238732681 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)O ZINC000238732850 EH Annotated Anodyne Cc1ccc2c(c1/C=C\[C@H](O)C(C)C)C(=O)C(O)=C(C(C)C)C2=O ZINC000238732952 EH Annotated Mild C[C@@H]1CN2[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@@]1(C)[C@@H]1CC[C@H]3CCC=C3[C@@H]12 ZINC000238732978 EH Annotated Anodyne C/C=C(/C)C(=O)Oc1ccc(OC(=O)/C(C)=C\C)c([C@H]2O[C@@H]2C)c1 ZINC000238733010 EH Annotated Anodyne COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CCOC3)[C@H](C)C[C@H](O)[C@@]12C ZINC000238733135 EH Annotated Anodyne C=C(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)C[C@@H](O)C[C@@]1(C)C(=O)OC ZINC000238733139 EH Annotated Mild C=C1[C@H](O)[C@@]23CC[C@H]4[C@]5(C)CCC[C@]4([C@H]2CC[C@@H]1C3)[C@H]1OCCN1C5 ZINC000238733246 EH Annotated Mild COc1cc(O)c2c(c1/C=C/C(C)=O)O[C@H](C1=CCCC=C1)CC2=O ZINC000238733360 EH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CC[C@@H]2[C@@H](O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000238733497 EH Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1CC(C)=C[C@H](O)[C@@H]1[C@@](C)(O)CCC=C(C)C ZINC000238733545 EH Annotated Anodyne CCc1cc(O)c2c(c1)C(=O)C(=O)c1c-2cc2cccc(O)c2c1O ZINC000238733771 EH Annotated Clean C#C/C=C\[C@H](Cl)[C@H]1[C@@H]2C[C@@H]3O/C(=C(\Br)CC)[C@H]1[C@@H]3O2 ZINC000238733785 EH Annotated Reactive CC(C)=CC[C@@H](OC(=O)C(C)C)c1coc(C2=CC(=O)C=CC2=O)c1 ZINC000238733859 EH Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C(=O)C(O)=C3C(C)(C)CCC[C@@]23C)C1=O ZINC000238733887 EH Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000238733946 EH Annotated Mild C=C(CO)[C@H]1C/C=C(\C)CC/C=C(\C(=O)O)CC/C=C(\CO)CC1 ZINC000238733983 EH Annotated Mild CC(C)=CC(=O)O[C@H]1C/C(C)=C/CC[C@]2(C)O[C@@H]2[C@H](O)[C@@H]1C(C)C ZINC000238734047 EH Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@@]32C)[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000238734227 EH Annotated Anodyne C=C1[C@H](O)[C@@]23CC[C@@H]4[C@]5(C)CCC[C@@]4([C@H]4OCCN4C5)[C@@H]2CC[C@@H]1C3 ZINC000238734348 EH Annotated Mild C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000238734516 EH Annotated Mild C/C=C1\C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000238734545 EH Annotated Mild C/C(C(=O)O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000238734633 EH Annotated Mild C=C1CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1C[C@H](O)c1ccoc1 ZINC000238734826 EH Annotated Mild C/C1=C\CC[C@](C)(O)[C@H]2C[C@H](CC[C@@]3(C)O[C@H]3CC1)[C@H](C)C(=O)O2 ZINC000238735008 EH Annotated Anodyne C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)C/C(C)=C/C)[C@@H]1O ZINC000238735078 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C ZINC000238735120 EH Annotated Anodyne C=C/C(C)=C/C=C/[C@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](O)C(C)(C)O1 ZINC000238735770 EH Annotated Anodyne CC[C@@H]1C(=O)O[C@@H]2[C@H]1O[C@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]21 ZINC000238735772 EH Annotated Anodyne Cc1cc2c(cc1C(=O)O)[C@H](C)CC[C@@]1(C)[C@H](C(C)(C)O)[C@H](O)C[C@@H]21 ZINC000238735910 EH Annotated Anodyne COC(=O)[C@@]1(O)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]21 ZINC000238736088 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CCC[C@H](C)[C@]21C ZINC000238736721 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H]2O[C@]2(C)CC/C=C(\C)CC[C@H]1C(C)(C)O ZINC000238736904 EH Annotated Anodyne CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 ZINC000238736935 EH Annotated Anodyne C[C@H]1C[C@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 ZINC000238737173 EH Annotated Anodyne CC(C)C1=CC2=CC=C3C(C)(C)OC(=O)C[C@]3(C)CC2=C(O)C1=O ZINC000238737263 EH Annotated Mild CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 ZINC000238737490 EH Annotated Anodyne C=C[C@](C)(O)/C=C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]1OC1(C)C ZINC000238737527 EH Annotated Mild C/C(C(=O)O)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000238737552 EH Annotated Mild C=C1CC[C@@H](C)[C@](C)(CC[C@@H]2C(=O)O[C@@H]3O[C@@H]32)C/C=C\C=C/1C(=O)O ZINC000238737709 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2C1 ZINC000238737771 EH Annotated Anodyne C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C\CS)[C@@H]2C ZINC000238737855 EH Annotated Mild C[C@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CC(=O)OC1 ZINC000238737870 EH Annotated Anodyne C=C1CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]12 ZINC000238738054 EH Annotated Mild C[C@@H](CCO)CC[C@H]1[C@](C)(O)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]21C ZINC000238738186 EH Annotated Anodyne CO[C@]1(CO)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]2CC[C@@H]1C3 ZINC000238738218 EH Annotated Mild C=C(COC(=O)[C@@](C)(O)CC)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(C)=C2C1 ZINC000238738310 EH Annotated Mild CCC/C=C\C#C/C=C/C(=O)OC/C=C/c1ccc(O)c(OC)c1 ZINC000238738344 EH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@@]12C ZINC000238738357 EH Annotated Anodyne C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](CC(=O)CCCCC)C2=CO1 ZINC000238738537 EH Annotated Mild CC[C@@H](C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)[C@H](C)CC)CO1 ZINC000238738561 EH Annotated Anodyne COC(=O)[C@]12C=C[C@H]1[C@@H]1[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]1(O)C2 ZINC000238738706 EH Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238738772 EH Annotated Mild C#C/C=C/C[C@H]1O/C(=C(/Br)CC)[C@H](O)C=CC[C@H]1Cl ZINC000238738774 EH Annotated Reactive COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1C[C@H]1C(=O)C[C@]3(C(C)C)CC[C@@]12O3 ZINC000238738842 EH Annotated Anodyne C#C/C=C\[C@@H](Cl)[C@@H]1[C@@H]2C[C@@H]3O/C(=C(\Br)CC)[C@H]1[C@@H]3O2 ZINC000238739024 EH Annotated Reactive O=Cc1c(-c2ccc(O)cc2)ccc(O)c1C#Cc1ccc(O)cc1 ZINC000238739227 EH Annotated Mild C[C@H](CO)C1=C[C@@]2(OO)CC[C@@H]3C(C)(C)CCC[C@@]3(C)C2=CC1=O ZINC000238739300 EH Annotated Reactive C[C@H]1C/C(=C/C(=O)O)C2OC3(CC(=O)[C@@H]4C(C)(C)CCC[C@@]4(C)[C@H]13)O2 ZINC000238739375 EH Annotated Anodyne CC1(C)C(=O)[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@H]1C3 ZINC000238739470 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2[C@@H](O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000238739577 EH Annotated Mild C/C(=C/C(=O)O)CC[C@@]1(C)[C@@H]2CC[C@H](O)[C@@](C)(O)[C@]2(C)CC[C@H]1C ZINC000238739630 EH Annotated Anodyne C[C@H](CO)CCC[C@@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O ZINC000238739688 EH Annotated Mild C=C[C@]1(C)C[C@@H](O)[C@]2(C)[C@H](C)CC[C@]3(CC/C(=N\O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000238739751 EH Annotated Mild C=C1[C@H](O)C[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O ZINC000238739826 EH Annotated Mild CO[C@@H]1C[C@H]2C[C@H]3c4c(c5ccccc5n4C=C2[C@@H](C)O1)CCN3C ZINC000238739966 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C)CC[C@H]21 ZINC000238739988 EH Annotated Anodyne CC(C)[C@@]1(O)CC[C@H]2[C@H](C1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C ZINC000238740047 EH Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@H](CO)CCO ZINC000238740082 EH Annotated Mild CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/C(=O)O)CO)C(C=O)=CC[C@H]12 ZINC000238740474 EH Annotated Reactive CC[C@H]1C[N+]2(C)[C@H]3C[C@@H]1[C@@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000238740706 EH Annotated Bother C/C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2C1 ZINC000238740736 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CC[C@H](O)[C@H](C)[C@]21C ZINC000238740768 EH Annotated Mild CC#CC#Cc1ccc(C#C[C@H](Cl)COC(=O)/C(C)=C\C)s1 ZINC000238741247 EH Annotated Reactive C=C/C(C)=C\C=C\[C@@](C)(O)C[C@H](OC(=O)/C(C)=C\C)[C@H]1OC1(C)C ZINC000238741250 EH Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@@H](C)[C@H]2C)OCO4)ccc1O ZINC000238741309 EH Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1[C@H]2O ZINC000238741600 EH Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45CCC[C@](C)(CN6CCO[C@H]64)[C@H]5CC[C@]3(C2)[C@@H]1O ZINC000238741808 EH Annotated Mild C=C(CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@@H]2CC[C@H]1C)[C@H](O)CO ZINC000238741833 EH Annotated Mild CC[C@H]1C[N+]2(C)[C@H]3C[C@@H]1[C@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000238741843 EH Annotated Bother C=C1CC[C@@H]2[C@](C)(CC[C@@H](O)[C@]2(C)C(=O)O)[C@H]1CC[C@H](C)CCO ZINC000238742025 EH Annotated Mild C=C(C)[C@H]1C/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)C[C@H]2O[C@]2(C)C(=O)C1 ZINC000238742060 EH Annotated Mild COC(=O)/C=C\c1ccc(OC/C=C(\C)C[C@@H](O)C=C(C)C)cc1 ZINC000238742358 EH Annotated Anodyne C=CC[C@]12C[C@@H](OC)C(=O)C=C1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000238742373 EH Annotated Mild COC(=O)[C@]12C=C[C@@H](O)[C@H]3[C@](C)(CCc4ccoc4)[C@@H](C)CC[C@@]31C2 ZINC000238742471 EH Annotated Anodyne C/C1=C\CC(=O)[C@@H](C)CC(=O)[C@H]([C@H](C)C(=O)O)[C@@H]2[C@@H](CC1)C2(C)C ZINC000238742909 EH Annotated Anodyne COc1cc(C2=C(c3ccc(O)cc3)CN3CCC[C@@H]3C2)ccc1O ZINC000238742921 EH Annotated Anodyne C=C1[C@@H](O)C[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CC[C@@H](C)CC(=O)O ZINC000238743375 EH Annotated Mild CCC1=CCCN(CC[C@@H]2c3ccccc3N[C@H]2[C@H](C)C(=O)OC)C1 ZINC000238743497 EH Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@H]3OC(=O)[C@H](C)CC)C[C@H]12 ZINC000238743573 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1C=C(C)[C@@]2(O)C[C@H](C(C)C)CC[C@@]2(C)C1=O ZINC000238743623 EH Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 ZINC000238743712 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@H]3O[C@@]3(C)C(=O)C[C@H]12 ZINC000238744005 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@@]12C ZINC000238744032 EH Annotated Anodyne C/C=C1/CC[C@H]2C3=Nc4ccccc4[C@]34C[C@@H](C[C@H]4OC(C)=O)N2C1 ZINC000238744389 EH Annotated Anodyne C[C@@H]1CC[C@]23[C@@H](CC[C@H]4O[C@]42CO[C@H]3O)[C@]1(C)CCc1ccoc1 ZINC000238744513 EH Annotated Anodyne CC(=O)O[C@H]1/C=C(/C)CC[C@H]2O[C@@]2(C)CC[C@H](OC(C)=O)C1(C)C ZINC000238744537 EH Annotated Anodyne C[C@H](CO)CCC[C@@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3 ZINC000238744685 EH Annotated Mild C=C1C[C@]2(C=O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C(=O)O ZINC000238744817 EH Annotated Mild CC(C)C1=C[C@@]2(O)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1=O ZINC000238744819 EH Annotated Mild COc1c(O)c(CCN(C)C)c2ccc3ccccc3c2c1OC ZINC000238745073 EH Annotated Bother CC(C)=CCC[C@H](C)[C@H]1c2cc(C)c(O)c(O)c2[C@H](CO)C[C@H]1O ZINC000238745136 EH Annotated Clean COC(=O)/C=C(/CO)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000238745298 EH Annotated Mild C=C[C@](C)(O)[C@H](O)C[C@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]12C ZINC000238745320 EH Annotated Mild C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C=O)c3occc3CC[C@@H]21 ZINC000238745423 EH Annotated Mild C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@@]2(C)O)CC(=O)O ZINC000238745466 EH Annotated Anodyne C=C1[C@H](O)C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CC[C@@H](C)CC(=O)O ZINC000238745527 EH Annotated Mild C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C=C(\C)CC)[C@@H]1O ZINC000238745580 EH Annotated Mild CC[C@@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](C(=O)OC)C1)[C@@H]32 ZINC000238745744 EH Annotated Anodyne CCCCCCCCCC[C@](C)(O)c1cc(OC)c(CO)c(=O)o1 ZINC000238745934 EH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238745937 EH Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@]45CCC(=O)OC[C@]34CC[C@H]1[C@H]25 ZINC000238746143 EH Annotated Anodyne C=C(C)C1=C(OC)C(=O)C2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000238746328 EH Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@](C)(OO)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 ZINC000238746424 EH Annotated Reactive C/C(=C\Cc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1O)CO ZINC000238746524 EH Annotated Anodyne C[C@H]1CN2C[C@H]3CCC4=CCC[C@H]4[C@@]45CCC(=O)OC[C@]34CC[C@H]1[C@H]25 ZINC000238746560 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)CC(=O)C(=C(C)C)C[C@@H]2[C@]1(C)O ZINC000238746818 EH Annotated Mild C=C1[C@H]2CC[C@@H]3[C@](CC[C@@H]4[C@]5(C)CCC[C@]43[C@H]3OCCN3C5)(C2)[C@H]1O ZINC000238746924 EH Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](OC(=O)[C@H](C)CC)C(=C)[C@H]21 ZINC000238746931 EH Annotated Mild C=C1[C@H](O)[C@]23CC[C@H]4[C@]5(C)CCC[C@@]4([C@H]4OCCN4C5)[C@@H]2C[C@H]1CC3 ZINC000238746967 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 ZINC000238747032 EH Annotated Anodyne C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@@H]1/C=C(\C)C(=O)O ZINC000238747243 EH Annotated Mild C=C1[C@@H]2CC[C@H]3[C@@]45CCC[C@](C)(CN6CCO[C@@H]64)[C@H]5CC[C@]3(C2)[C@@H]1O ZINC000238747298 EH Annotated Mild C=C1c2ccoc2C[C@H]2[C@@H]1CC[C@@H]1[C@@](CO)(C(=O)O)CCC[C@]21C ZINC000238747304 EH Annotated Mild C=C[C@](C)(O)[C@H](O)C[C@H]1C(=C)CC[C@H]2[C@](C)(C(=O)O)CCC[C@]12C ZINC000238747315 EH Annotated Mild CCCCCC[C@@H](C)/C=C(\C)[C@H]1OC(=O)/C(=C\CC(=O)O)C[C@@H]1O ZINC000238747349 EH Annotated Anodyne CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@]2(O)CC1 ZINC000238747484 EH Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=C[C@H]3O[C@H]3[C@@H]1C)C2=O ZINC000238747490 EH Annotated Mild COc1ccc([C@H]2C[C@@H](c3ccc(OC)c(O)c3)[C@H](OC)CO2)cc1 ZINC000238747524 EH Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2C[C@@](C)([C@@H]3[C@@H](O)O[C@H]4OC(=O)C[C@H]43)C[C@H]12 ZINC000238747646 EH Annotated Mild Cc1coc2c1[C@@H](OC(=O)[C@@]1(C)O[C@@H]1C)[C@]1(C)[C@@H](C)CCC[C@H]1C2=O ZINC000238747695 EH Annotated Anodyne CC(C)=CCc1c2c(cc3c(=O)cc(CO)oc13)CCC(C)(C)O2 ZINC000238747915 EH Annotated Anodyne C/C(=C/CC/C(=C/CC/C(C)=C/CCC1=CCOC1=O)C(=O)O)CO ZINC000238747953 EH Annotated Anodyne C=C(C)[C@@H]1Oc2c(OC)cc(C(C)=O)cc2[C@H]1OC(=O)/C=C\CC ZINC000238748070 EH Annotated Mild C=C1C[C@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)/C(C)=C/C)[C@@]2(C)CCC=C12 ZINC000238748320 EH Annotated Mild CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@@H](C)C[C@H](O)[C@@]13CO4 ZINC000238748341 EH Annotated Anodyne C/C=C(/C)C(=O)OC[C@]12CC[C@@H]([C@H](C)CCC=C(C)C)C(=O)[C@H]1O2 ZINC000238748348 EH Annotated Anodyne C/C=C(/CO)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@H]2C1 ZINC000238748397 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC[C@H]2Cc3occ(C)c3C[C@@]2(CO)[C@@H]1C ZINC000238748401 EH Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C\CS)[C@@H]2C ZINC000238748448 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@]2(C)CCC(=O)C[C@H]2[C@]1(O)C(C)C ZINC000238748464 EH Annotated Anodyne C=C(C)[C@H]1CC[C@@]2(O)[C@H](C1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000238748498 EH Annotated Mild C=CCC/C=C/C#CC#CCCCCCC[C@H]1C(=O)O[C@H](C)[C@@H]1O ZINC000238748500 EH Annotated Mild C[C@@]12O[C@@H]1CC[C@@H]1[C@@](C)(CC(=O)c3ccoc3)[C@H](C(=O)O)CC[C@]12C ZINC000238748565 EH Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCC1=CCOC1=O)[C@]32C ZINC000238748589 EH Annotated Anodyne CC#CC#Cc1ccc(C#C[C@H](Cl)COC(=O)[C@H](C)CC)s1 ZINC000238748637 EH Annotated Reactive C/C=C1/CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCOC ZINC000238748705 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@H]2O[C@]12C ZINC000238748711 EH Annotated Anodyne C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@@H]1/C=C(/C)C(=O)O ZINC000238748828 EH Annotated Mild CC(C)(Cl)[C@H](O)CCOc1c2ccoc2cc2oc(=O)ccc12 ZINC000238748997 EH Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(O[C@@H](C[C@@H]3C)C[C@@]3(C)O[C@@H]3C1=O)O2 ZINC000238749029 EH Annotated Anodyne COC(=O)[C@@]12C=C[C@@H]1[C@@H]1[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]1(O)C2 ZINC000238749135 EH Annotated Anodyne C=CC[C@]12C[C@H](OC)C(=O)C=C1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238749136 EH Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(=O)/C(C)=C\C)C=CC(=C)[C@@H]21 ZINC000238749555 EH Annotated Mild C=C1C(=O)O[C@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)CC(C)C)[C@@H]3C[C@@H]12 ZINC000238749584 EH Annotated Mild C[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]1(CO)C[C@@H](O)c1ccoc1 ZINC000238749606 EH Annotated Anodyne C=C/C(C)=C/C=C/[C@@](C)(O)C[C@H](OC(=O)/C(C)=C\C)[C@H]1OC1(C)C ZINC000238749620 EH Annotated Anodyne C=C1[C@H](C)C[C@@H]2O[C@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2O ZINC000238749686 EH Annotated Reactive CC/C=C\C/C=C\C[C@@H]1OC(=O)CCC/C=C\C[C@H](O)/C=C/[C@H]1O ZINC000238749739 EH Annotated Anodyne CC(C)=C[C@H](O)C[C@H](C)[C@H]1CC[C@H](C)C2=C1C(=O)C(C)=C(O)C2=O ZINC000238749772 EH Annotated Mild C=C1CC[C@H]2[C@@H](O)O[C@H](c3ccoc3)C[C@]2(C)C/C=C\C=C/1C(=O)O ZINC000238749789 EH Annotated Mild Oc1cc2c(cc1Br)[nH]c1c(C3=CCCN3)nccc12 ZINC000238750129 EH Annotated Anodyne C=C1C(=O)O[C@H](c2ccoc2)C[C@@H]1[C@@]1(C)CCC[C@]2(C)COC(=O)[C@@H]21 ZINC000238750286 EH Annotated Mild O=C(c1cc2ccc(O)cc2[nH]1)c1ncc(-c2c[nH]c3ccccc23)[nH]1 ZINC000238750322 EH Annotated Anodyne CC1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000238750422 EH Annotated Mild C/C1=C\CC(=O)[C@H](C)CC(=O)[C@H]([C@H](C)C(=O)O)[C@@H]2[C@@H](CC1)C2(C)C ZINC000238750459 EH Annotated Anodyne CC(C)=CC(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000238750516 EH Annotated Anodyne C=C1CCC[C@@]2(C)C[C@@H](OC(=O)c3ccoc3)[C@H]3C(=C)C(=O)O[C@H]3[C@H]12 ZINC000238750558 EH Annotated Mild COc1cc([C@@H]2Oc3c(O)ccc(C(C)=O)c3[C@H]2C)cc(OC)c1O ZINC000238750707 EH Annotated Anodyne C=C1C(=O)O[C@H](/C=C(\C)CC/C=C(\C)CCCC(C)=O)[C@H]1CCO ZINC000238750780 EH Annotated Mild CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)O[C@@H]1CC/C(=C\CO)CO ZINC000238751051 EH Annotated Anodyne C/C(=C\CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)CO)CO ZINC000238751091 EH Annotated Anodyne C=C1C=C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000238751115 EH Annotated Mild C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000238751212 EH Annotated Anodyne CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)[C@@]1(C)O[C@@H]1C)[C@@H]2C ZINC000238751254 EH Annotated Mild C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H]2O[C@@H]21 ZINC000238751657 EH Annotated Anodyne C[C@H]1CN2C[C@H]3CCC4=CCC[C@H]4[C@]45CCC(=O)OC[C@]34CC[C@H]1[C@@H]25 ZINC000238751722 EH Annotated Anodyne CC(C)c1cc(C=O)c2c(c1O)OC(=O)[C@@H]1CCC(C)(C)[C@H](C=O)[C@@H]21 ZINC000238751813 EH Annotated Mild CC1=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O ZINC000238751819 EH Annotated Anodyne C/C1=C\CC[C@]2(C)O[C@H]2[C@@]2(O)OC[C@@H]3C2=C(O)C[C@H](C)[C@@]3(C)CC1 ZINC000238752111 EH Annotated Anodyne C[C@H](CO)c1cc(O)c2c(c1O)C(=O)C=C1C(C)(C)CCC[C@@]12C ZINC000238752137 EH Annotated Mild C=C([C@@H]1CC(=O)[C@@]2(C)O[C@H]2C1)[C@@H](CC=C(C)C)OC(=O)C=C(C)C ZINC000238752265 EH Annotated Mild C/C=C(/C)C(=O)OC[C@@]1(O)CC[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@H]21 ZINC000238752585 EH Annotated Anodyne CC1=CC(=O)CC(C)(C)[C@@H]1CC/C(C=O)=C/CCC1=CC(=O)OC1 ZINC000238752662 EH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)[C@@H](C(C)C)C[C@H]2[C@@]1(C)O ZINC000238752820 EH Annotated Anodyne C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CC(=O)NC1 ZINC000238752915 EH Annotated Anodyne CC[C@@H]1OC(=O)/C=C/[C@H](C)[C@H](O)[C@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1C ZINC000238753049 EH Annotated Mild C/C(=C/CO)CC/C=C(/C=O)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000238753081 EH Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238753363 EH Annotated Mild CC1(C)CCC[C@@]2(C)[C@H](CCC3=CC(=O)O[C@@H]3O)C(C=O)=CC[C@H]12 ZINC000238753408 EH Annotated Reactive COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC(=O)C1=C[C@@](O)(C(C)C)CC[C@@H]12 ZINC000238753491 EH Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)[C@H](C)CC)C(=C)[C@@H]1CCC(=C)[C@H]21 ZINC000238753575 EH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2[C@@H](O)CC[C@H](C)[C@@]12C ZINC000238753968 EH Annotated Anodyne C=CC[C@@]12CC=CC(=O)[C@]1(OC)O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000238753988 EH Annotated Mild COc1cc(/C=C/CO)cc2cc(Cc3ccc4c(c3)OCO4)oc12 ZINC000238754261 EH Annotated Anodyne CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC[C@](C)(O)/C=C/2OC1=O ZINC000238754375 EH Annotated Anodyne C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN4CCO[C@@H]45)[C@H]3C2)[C@@H]1O ZINC000238754518 EH Annotated Mild C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)C/C(C)=C\C)[C@@H]1O ZINC000238754592 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@H]12 ZINC000238754594 EH Annotated Anodyne COC(=O)/C=C1\CCC2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@H]1C ZINC000238754621 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2[C@@H](O)CC[C@H](C)[C@@]12C ZINC000238754623 EH Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3C[C@H](C4=CC(=O)OC4)OC(=O)C3=CC[C@H]12 ZINC000238754994 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC(=O)[C@H](C)[C@@]12C ZINC000238755218 EH Annotated Anodyne C=C1C(=O)O[C@H](c2ccoc2)C[C@@H]1[C@@]1(C)CC=C[C@]2(C)COC(=O)[C@@H]21 ZINC000238755327 EH Annotated Mild C=C1C(=O)O[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238755406 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CCC2=CC(=O)[C@H]([C@@]3(C)CO3)C[C@]2(C)[C@H]1C ZINC000238755565 EH Annotated Mild C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCNC1=O ZINC000238755700 EH Annotated Anodyne C/C1=C\CC[C@@H](C)[C@@H]2CC[C@](C)(O2)[C@H](O)[C@@H](O)c2c(C)coc2C1 ZINC000238755775 EH Annotated Anodyne C=C(C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C(/C)CC)[C@@H]2C)[C@H](O)C1=O ZINC000238755796 EH Annotated Mild CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@@]12C ZINC000238755817 EH Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@]2(C)O[C@H]2CC1 ZINC000238755848 EH Annotated Anodyne C[C@H]1C[N+]2([O-])C[C@@H]3CCC4=C5C(=CC[C@]56[C@H]2[C@H]1CC[C@]36CO)CC4 ZINC000238755854 EH Annotated Bother CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](O)[C@H](C)[C@@]12C ZINC000238755929 EH Annotated Anodyne CC(C)=C1CC[C@@]2(C)CC[C@@]3(O[C@@H](C[C@H]3C)C[C@]3(C)O[C@H]3C1=O)O2 ZINC000238756058 EH Annotated Mild C=CC[C@]12C[C@@H](OC)C(=O)C=C1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238756268 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H](C)c1cc2c(cc1OC)OC(=C(C)C)C(=O)O2 ZINC000238756335 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H]2[C@@H]1[C@@]1(C)CCC[C@]2(C)C(=O)O1 ZINC000238756406 EH Annotated Anodyne C=C(CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@@H]2CC[C@H]1C)[C@@H](O)CO ZINC000238756418 EH Annotated Mild Cc1coc2c1C[C@H]1[C@](C)(O)[C@H](OC(=O)CC(C)C)CC[C@]1(C)C2 ZINC000238756428 EH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC(=O)/C(C)=C/CO ZINC000238756461 EH Annotated Mild C=C1CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC(=O)c1ccoc1 ZINC000238756506 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)C[C@H]3C[C@H](CC/C=C(\C)CC[C@H]12)C(=O)O3 ZINC000238756544 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000238756565 EH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C/C=C(/C)[C@H](O)CO ZINC000238756618 EH Annotated Mild CC(C)=CCc1cc(O)ccc1OC(=O)c1c(C)cc(O)cc1O ZINC000238756679 EH Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(C=COC1)O2 ZINC000238756731 EH Annotated Anodyne C=C1C(=O)O[C@]2(O)C/C(C(=O)O)=C\CC/C(C)=C/CC/C(C)=C/C[C@@H]12 ZINC000238756934 EH Annotated Mild CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2C1 ZINC000238757085 EH Annotated Anodyne C=C1[C@@H]2CC[C@]3(CC[C@H]4[C@@]5(C)CCC[C@@]4(CN4CCO[C@H]45)[C@H]3C2)[C@@H]1O ZINC000238757165 EH Annotated Mild CC(C)C1=CC(=O)[C@@]2(CC1)OC(=O)C[C@@H]1C(C)(C)C(=O)CC[C@]12C ZINC000238757375 EH Annotated Mild CC(C)[C@@]12C=C3C(=O)C[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2 ZINC000238757546 EH Annotated Reactive C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)O ZINC000238757620 EH Annotated Anodyne C=C(C)[C@@H]1CCC(=C)[C@@H]2C3=C(C(=O)[C@H](C)C[C@@H]12)[C@H](OC)[C@@H](C)C3=O ZINC000238757680 EH Annotated Mild CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O ZINC000238757698 EH Annotated Mild C#C/C=C\[C@H](Cl)[C@@H]1[C@@H]2C[C@@H]3O/C(=C(\Br)CC)[C@H]1[C@@H]3O2 ZINC000238757772 EH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H]2[C@@H]1[C@]1(C)CCC[C@@]2(C)C(=O)O1 ZINC000238757775 EH Annotated Anodyne C#C/C=C/[C@H](Cl)[C@@H]1[C@@H]2C[C@@H]3O/C(=C(\Br)CC)[C@H]1[C@@H]3O2 ZINC000238757788 EH Annotated Reactive C=C[C@](C)(O)/C=C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]1OC1(C)C ZINC000238757816 EH Annotated Mild C=C1[C@H](O)[C@]23CC[C@H]4[C@]5(C)CCC[C@@]4([C@@H]4OCCN4C5)[C@@H]2C[C@H]1CC3 ZINC000238758015 EH Annotated Mild CO[C@@]12CC[C@@H](O)[C@@](C)(CC[C@@H]3/C(=C\C=C\C(C)C)COC(=O)[C@H]31)C2 ZINC000238758026 EH Annotated Anodyne C=C(C(=O)OC)[C@@H]1Nc2ccccc2[C@H]1CCN1CCC=C(CC)C1 ZINC000238758122 EH Annotated Mild CC1=C(O)C(=O)C[C@@H]2[C@@]3(C)CC[C@](C)(C(=O)CO)C[C@@H]3CC[C@@]12C ZINC000238758173 EH Annotated Mild COc1ccc([C@@H]2C[C@H](c3ccc(OC)c(O)c3)OC[C@H]2OC)cc1 ZINC000238758265 EH Annotated Anodyne C/C=C/C#CC#C/C=C/[C@H](CCCCCCCC(=O)O)OC(C)=O ZINC000238758467 EH Annotated Mild C=C([C@@H]1CC(=O)[C@]2(C)O[C@@H]2C1)[C@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000238758529 EH Annotated Mild CC[C@H](/C=C/C(C)=O)C[C@]1(C)C[C@H](CC)[C@H](CC(=O)OC)OO1 ZINC000238758533 EH Annotated Reactive C=C1C[C@@H](O)[C@H]2O[C@H]3C[C@@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C ZINC000238758602 EH Annotated Reactive C[C@@H]1CC[C@]2(C)[C@H](CCC[C@]23CO3)[C@@]1(C)CC/C(=C/C(=O)O)CO ZINC000238758604 EH Annotated Anodyne C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN4CCO[C@H]45)[C@@H]3C2)[C@@H]1O ZINC000238758623 EH Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C=O)=C/C(=O)O ZINC000238758912 EH Annotated Reactive C[C@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@]45CCC(=O)OC[C@]34CC[C@H]1[C@H]25 ZINC000238759035 EH Annotated Anodyne CNc1c(-c2ccc3c(c2C=O)OCO3)ccc2cc3c(cc12)OCO3 ZINC000238759051 EH Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC=C(CO)[C@]21CC[C@@](C)(CC(=O)O)O1 ZINC000238759448 EH Annotated Anodyne C[C@@H]1CC[C@@]23OCC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](O)c1ccoc1 ZINC000238759567 EH Annotated Mild C/C=C(\C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]2O[C@]12C ZINC000238759612 EH Annotated Anodyne C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H](C)[C@@]12CC=C(C(=O)O)[C@@H](O)C2 ZINC000238759702 EH Annotated Anodyne C/C=C(\C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)/C(C)=C/C)CO1 ZINC000238759727 EH Annotated Anodyne C[C@H](CC[C@@]1(C)C(=O)CC[C@H]2O[C@]21C)[C@H]1C[C@H](c2ccoc2)OC1=O ZINC000238759748 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C ZINC000238759758 EH Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCCC(=C23)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238759895 EH Annotated Anodyne C=C1C=C[C@@H](OC(=O)C=C(C)C)[C@@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 ZINC000238760080 EH Annotated Mild C=C(C)[C@@H]1Cc2c(ccc(O)c2O)[C@H]1CC(=O)c1ccc(O)cc1O ZINC000238760115 EH Annotated Mild CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CCC[C@@](C)(O)[C@]21C ZINC000238760156 EH Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CC(=O)OC1 ZINC000238760348 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CCC[C@@H](O)[C@]21C ZINC000238760361 EH Annotated Anodyne COC(=O)[C@H]1CC[C@@H]2[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]24C)COC(=O)[C@@H]13 ZINC000238760390 EH Annotated Anodyne C#C/C=C/[C@H](Cl)[C@H]1[C@@H]2C[C@@H]3O/C(=C(\Br)CC)[C@H]1[C@@H]3O2 ZINC000238760430 EH Annotated Reactive CC(=O)[C@]1(O)[C@H](CO)[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238760563 EH Annotated Anodyne C[C@@H](CCO)CC[C@H]1[C@](C)(O)[C@@H](O)C[C@H]2C(C)(C)CCC[C@@]21C ZINC000238760723 EH Annotated Anodyne C=C(C)[C@@H]1Oc2c(OC)cc(C(C)=O)cc2[C@@H]1OC(=O)/C(C)=C\C ZINC000238760791 EH Annotated Mild C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O ZINC000238760896 EH Annotated Mild C=C[C@](C)(O)[C@H](O)C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C ZINC000238761133 EH Annotated Mild COC(=O)[C@@]1(C)[C@H](O)CC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21 ZINC000238761139 EH Annotated Anodyne C=C[C@@]1(C)CC[C@H]2[C@@]3(C)CCC(C(=O)OC)=C(C=O)[C@H]3CC[C@@]2(O)C1 ZINC000238761241 EH Annotated Reactive C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CC/C(=C/CO)CO ZINC000238761331 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CCC[C@@](C)(O)[C@]21C ZINC000238761464 EH Annotated Anodyne CC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 ZINC000238761711 EH Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H]1O[C@@]1(C)CC/C=C(\C)CC[C@@H]2O ZINC000238761716 EH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H]1O[C@@]1(C)CC/C=C(/C)CC[C@@H]2O ZINC000238761726 EH Annotated Mild C=C[C@@H]1CN2CC[C@@H]1C=C2c1[nH]c2ccccc2c1CCOC(C)=O ZINC000238761963 EH Annotated Mild C=C1[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 ZINC000238762000 EH Annotated Mild CC[C@H]1C[C@H]2CN3C=Cc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238762229 EH Annotated Anodyne Cc1cc(=O)c2c(O)c3c(c(/C=C\C(C)(C)O)c2o1)OC(C)(C)C=C3 ZINC000238762374 EH Annotated Anodyne C=C(C)[C@H]1CC=C2C[C@@](C)([C@H](O)CO)CC[C@H]2[C@]1(C)CCC(=O)O ZINC000238762469 EH Annotated Mild C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@@H]1CC[C@H](O)[C@]2(C)O)CC(=O)O ZINC000238762543 EH Annotated Anodyne CC[C@@H]1C(=O)O[C@@H]2[C@H]1O[C@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]21 ZINC000238762558 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@H]4[C@@H](C[C@@H]21)[C@@]4(C)C3 ZINC000238762559 EH Annotated Anodyne CC(C)=C1CC[C@]2(C)CC[C@]3(O[C@@H](C[C@H]3C)C[C@]3(C)O[C@@H]3C1=O)O2 ZINC000238762809 EH Annotated Mild CCC(=O)OCc1cccc2oc(OC)c(CC=C(C)C)c(=O)c12 ZINC000238762906 EH Annotated Anodyne C/C=C(\C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](OC)C1)CCN2C ZINC000238762908 EH Annotated Reactive C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238763450 EH Annotated Mild CC(C)=CC(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238763484 EH Annotated Mild C=CCCC#CC#C/C=C\CCCCCC[C@@H]1C[C@@H](CO)OC1=O ZINC000238763791 EH Annotated Mild C[C@@]1(C(=O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)/C(=C\O)[C@]3(C)CC[C@@H]2C1 ZINC000238763933 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2CC2=CCC[C@H](C)[C@]21C ZINC000238763987 EH Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@@]21C ZINC000238764058 EH Annotated Mild CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 ZINC000238764063 EH Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H](C)[C@]12CC=C(C(=O)O)[C@@H](O)C2 ZINC000238764164 EH Annotated Anodyne C=C(C1=CC(=O)C(C)=C(O)C1=O)[C@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000238764393 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](O)[C@H](C)[C@@]12C ZINC000238764533 EH Annotated Anodyne C#C/C=C\C[C@@H]1O[C@@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@@H]1Cl ZINC000238764548 EH Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1CCC2=CC(=O)[C@@H]([C@@]3(C)CO3)C[C@]2(C)[C@H]1C ZINC000238764658 EH Annotated Mild CCCc1cc(CCc2cc(OC)c(O)c(OC)c2)c(O)c(OC)c1 ZINC000238764859 EH Annotated Anodyne CC(C)=CC(=O)O[C@@H]1[C@H]2CO[C@H](O)[C@H]2[C@]2(C)C(C)(C)CCC[C@]12C ZINC000238764988 EH Annotated Anodyne C[C@@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H](C)C(=O)[C@@H](O)C[C@H]12)CC(=O)O ZINC000238765037 EH Annotated Anodyne C[C@@H]1[C@H]2[C@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3C[C@@H](O)[C@@]23C[C@H]2[C@@H]1[C@@]2(C)C3 ZINC000238765127 EH Annotated Anodyne C=C1CCC2=C(C)C(=O)O[C@@H]2/C=C(\C)CC[C@H](O)[C@@]2(C)CC[C@H]1O2 ZINC000238765130 EH Annotated Mild CC1=CC(=O)[C@@]23C[C@@H]1[C@](C)(CCC[C@@H](C)C(=O)O)[C@@H]2CC[C@@H]3C(=O)O ZINC000238765360 EH Annotated Mild CC1=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]2[C@@H](OC(=O)CC(C)C)C1 ZINC000238765617 EH Annotated Mild C[C@@]1(C(=O)O)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]2(C)O1 ZINC000238765696 EH Annotated Anodyne C[C@]1(CCc2ccoc2)[C@H](CO)CC[C@@]23COC(=O)C2=CCC[C@@H]31 ZINC000238765868 EH Annotated Anodyne C#C/C=C\[C@H](Cl)[C@H]1[C@@H]2/C(=C(\Br)CC)O[C@@H]3C[C@H]1O[C@H]23 ZINC000238765904 EH Annotated Reactive C=C(C)[C@@H]1Oc2cc(OC)c(C(C)=O)cc2[C@@H]1OC(=O)/C(C)=C\C ZINC000238765919 EH Annotated Mild Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@@H](CCC[C@@]1(C)O)C2=O ZINC000238766376 EH Annotated Anodyne CC1=C(O)C(=O)C[C@@H]2[C@@]1(C)CC[C@@H]1C[C@](C)(C(=O)CO)CC[C@@]21C ZINC000238766386 EH Annotated Mild COc1ccc2c(OC)c3c(nc2c1OC)OC(C)(C)[C@@H](Cl)C3 ZINC000238766551 EH Annotated Reactive C/C=C(\C)C(=O)O[C@@]1(C)CC[C@]2(O)[C@@H](C(C)C)CC[C@]2(C)CC1=O ZINC000238766589 EH Annotated Anodyne C/C=C1/C[N+]2(C)C[C@H]3c4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@@H]3C(=O)OC ZINC000238766863 EH Annotated Bother C/C(=C/CO)CC/C=C(\C)[C@@H]1CC=C(C/C=C/C(C)(C)O)C(=O)O1 ZINC000238766976 EH Annotated Anodyne C[C@@H]1O[C@@H]2O[C@@H](c3ccoc3)C[C@]2(c2cccc3c2COC3=O)[C@@H]1C ZINC000238767072 EH Annotated Anodyne CC(C)=CCC[C@H](C)C1=CC[C@](C)(O)[C@H]1CC1=C(O)[C@H](O)CCC1=O ZINC000238767074 EH Annotated Mild CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(=C/CO)CO ZINC000238767396 EH Annotated Anodyne CC1(C)C(Br)=C[C@@H](O)[C@]2(C)O[C@@H]3C[C@]12CC[C@]3(C)Cl ZINC000238767397 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1/C=C(\C)[C@@H](O)C[C@@H]2O[C@]2(C)CCCC1(C)C ZINC000238767404 EH Annotated Anodyne CC(C)c1ccc2c(c1O)CC[C@@H]1[C@]2(C)C[C@@H](O)C[C@@]1(C)C(=O)O ZINC000238767441 EH Annotated Anodyne CC[C@@]12CC=CCN1CCc1c([nH]c3ccccc13)[C@@H](C(=O)OC)C2 ZINC000238767527 EH Annotated Anodyne CC[C@]12C=CCN3CCc4c(n(c5ccccc45)C(C(=O)OC)=C1)[C@H]32 ZINC000238767714 EH Annotated Anodyne C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H](C)C(=O)[C@@H](O)C[C@H]12)CC(=O)O ZINC000238767796 EH Annotated Anodyne C/C=C/C1=CC2=C[C@H](CC(=O)CCCCC)[C@@](C)(O)C(=O)C2=CO1 ZINC000238767828 EH Annotated Mild CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](C4=CC(=O)OC4)OC(=O)C3=CC[C@H]12 ZINC000238767844 EH Annotated Anodyne C[C@@H]1[C@@H](C)O[C@@H]2O[C@@H](c3ccoc3)C[C@@]12c1cccc2c1OCC2=O ZINC000238767942 EH Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C(=O)O ZINC000238767999 EH Annotated Anodyne C/C=C\C#CC#C/C=C/[C@@H](CCCCCCCC(=O)OC)OC(C)=O ZINC000238768011 EH Annotated Mild CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/C(=O)O)CO)C(CO)=CC[C@H]12 ZINC000238768068 EH Annotated Anodyne CC(C)[C@@H]1C(=O)c2ccc3c(c2[C@H]1c1ccc2c(c1)OCO2)OCO3 ZINC000238768118 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 ZINC000238768165 EH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@@H](O)/C(C)=C\CO ZINC000238768347 EH Annotated Mild C/C1=C\CC[C@@](C)(O)[C@H]2C[C@@H](CC[C@]3(C)O[C@H]3CC1)[C@@H](C)C(=O)O2 ZINC000238768367 EH Annotated Anodyne CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C[C@@H]12 ZINC000238768383 EH Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C3NC(=O)C4=CCC[C@@](C)(CC[C@@]21C)[C@@H]43 ZINC000238768462 EH Annotated Mild C=C1[C@@H](C)C[C@H]2O[C@@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2O ZINC000238768938 EH Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(=C)C=C[C@H]1OC(=O)/C(C)=C\C ZINC000238768996 EH Annotated Mild CCC(=O)C1=CN(C[C@@H](C)CC)[C@H](/C(C)=C/[C@H](C)CC)[C@](C)(O)C1=O ZINC000238769056 EH Annotated Mild CC(C)=C1C/C=C(\C)CC[C@H](O)[C@H](C(=O)O)[C@H](O)C/C=C(/C)CC1 ZINC000238769060 EH Annotated Anodyne CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@]2(C)O3 ZINC000238769152 EH Annotated Clean COC(=O)/C=C/c1ccc(OC/C=C(\C)C[C@@H](O)C=C(C)C)cc1 ZINC000238769219 EH Annotated Anodyne CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@@H](C)CC(=O)[C@@]13CO4 ZINC000238769234 EH Annotated Anodyne C/C=C\C#CC#C/C=C/[C@H](CCCCCCCC(=O)O)OC(C)=O ZINC000238769291 EH Annotated Mild C/C=C(/C)C(=O)O[C@@]12Cc3occ(C)c3C[C@]1(C)[C@@H](C)C[C@@H](O)C2 ZINC000238769521 EH Annotated Anodyne C=C1CCC[C@@]2(C)[C@H]1CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(N)C1=O ZINC000238769534 EH Annotated Mild C/C(=C/CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)C(=O)O)CO ZINC000238769698 EH Annotated Anodyne CO[C@H](CCCCCCCC(=O)O)[C@H](O)CCCCCCCCO ZINC000238769828 EH Annotated Anodyne C=C(C)[C@H]1Oc2cc(OC)c(C(C)=O)cc2[C@@H]1OC(=O)/C(C)=C\C ZINC000238769894 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238769926 EH Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000238770251 EH Annotated Mild CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)C1=O ZINC000238770274 EH Annotated Mild C=CCc1ccc(O)c(-c2cc([C@@H](C(=O)CC)[C@H](C)O)ccc2O)c1 ZINC000238770365 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)Cc3occ(C)c3C[C@H]2[C@]1(C)O ZINC000238770438 EH Annotated Anodyne CC[C@]1(CCC(=O)OC)CCCN2C(=O)c3[nH]c4ccccc4c3[C@@H]21 ZINC000238770457 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@]2(C)C[C@H]3CO[C@H](O)[C@H]3[C@]2(C)C1(C)C ZINC000238770519 EH Annotated Anodyne CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@@H](C)C[C@@H](O)[C@@]13CO4 ZINC000238770766 EH Annotated Anodyne C[C@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@H]1[C@@](CO)(C(=O)O)CCC[C@]21C ZINC000238770767 EH Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)CC[C@@H](C2)[C@@H]1OC(C)=O ZINC000238770845 EH Annotated Anodyne CC1(C)[C@@H]2C[C@@H]3O[C@]3(C)[C@]13C[C@@H](Br)[C@](C)(Cl)C[C@H]3O2 ZINC000238770886 EH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC[C@]1(C)O ZINC000238771242 EH Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CC=C(C)[C@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C ZINC000238771530 EH Annotated Anodyne O=[N+]([O-])c1ccc(N/N=C/C=C/Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000238771568 EH Annotated Mild CC(C)CC(=O)OC[C@H]1O[C@@H]1c1ccc(OC(=O)CC(C)C)cc1 ZINC000238771613 EH Annotated Anodyne C[C@H]1C(=O)C[C@@H]2O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@@]31C2(C)C ZINC000238771876 EH Annotated Reactive C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 ZINC000238771926 EH Annotated Mild C=C1[C@H](C(=O)C=C(C)C)[C@H](O)C[C@]2(C)CC[C@@H]([C@@H](C)C(=O)OC)C[C@H]12 ZINC000238771949 EH Annotated Mild CC[C@@]12CCCN3CC[C@@]4(c5ccc(OC)c(OC)c5N[C@H]4CC1)[C@H]32 ZINC000238772118 EH Annotated Anodyne CC1(C)CCC[C@]2(C)C1=CC(=O)c1cc(C(C)(C)O)c(O)c(O)c12 ZINC000238772366 EH Annotated Mild COC(=O)C1=CC=C[C@H]2[C@@]1(CO)CC[C@H](C)[C@@]2(C)CCc1ccoc1 ZINC000238772471 EH Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2O3 ZINC000238772483 EH Annotated Clean C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN4CO[C@@H]45)[C@@H]3C2)[C@@H]1O ZINC000238772603 EH Annotated Mild CC(=O)O[C@H]1/C=C(/C)CC[C@@H]2O[C@]2(C)CC[C@H](OC(C)=O)C1(C)C ZINC000238772626 EH Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@@]45CCC(=O)OC[C@]34CC[C@H]1[C@H]25 ZINC000238772644 EH Annotated Anodyne C=C([C@H](C)O)[C@@H]1C(C)=C[C@]2(C)[C@H]1[C@@]2(C)c1oc(OC)c(C)c(=O)c1C ZINC000238772772 EH Annotated Mild C=CCC/C=C\C#CC#CCCCCCC[C@H]1C(=O)O[C@@H](C)[C@@H]1O ZINC000238772807 EH Annotated Mild Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CC[C@H]3O[C@]31C2=O ZINC000238772892 EH Annotated Anodyne COc1cc2cc(c1O)-c1cc(ccc1O)CCC[C@@H](O)CCC2 ZINC000238772910 EH Annotated Anodyne C=C[C@@]1(C)C(=O)C=C2C(=CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC)[C@@H]1O ZINC000238772918 EH Annotated Mild C/C(=C\C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@@H]1CC[C@H](O)[C@]2(C)O ZINC000238772938 EH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@]1(C)O[C@@H]1CO ZINC000238773018 EH Annotated Mild C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CC[C@@H]1CCOC1=O)[C@]32C ZINC000238773157 EH Annotated Anodyne C[C@H]1CO[C@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@@H](C)CO[C@]1(C)O4 ZINC000238773278 EH Annotated Anodyne C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)CC[C@H]1CC ZINC000238773424 EH Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2 ZINC000238773633 EH Annotated Anodyne CC(=O)C[C@@H]1OC(=O)C=C1/C=C\c1cc(O)c(/C=C\C(C)C)c(O)c1 ZINC000238773650 EH Annotated Anodyne CC(=O)C[C@@H]1OC(=O)C=C1/C=C\c1cc(O)c(/C=C/C(C)C)c(O)c1 ZINC000238773664 EH Annotated Anodyne CC(=O)C[C@@H]1OC(=O)C=C1/C=C/c1cc(O)c(/C=C\C(C)C)c(O)c1 ZINC000238773671 EH Annotated Anodyne CC(=O)C[C@@H]1OC(=O)C=C1/C=C/c1cc(O)c(/C=C/C(C)C)c(O)c1 ZINC000238773683 EH Annotated Anodyne C=C[C@@](C)(O)CC[C@@H]1[C@]2(CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]31C)CO2 ZINC000238773760 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C=CC(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238773898 EH Annotated Anodyne CC(C)[C@@]12CC[C@H]([C@@]3(C)CCC[C@]4(C)COC(=O)C[C@@H]43)C(=O)[C@@H]1O2 ZINC000238773998 EH Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@H](OC(=O)C=C(C)C)C(C)=C3C[C@H]12 ZINC000238774021 EH Annotated Mild C[C@@]12CCC[C@]3(C)C(CCc4ccoc4)=CC(=O)[C@@H](OC1=O)[C@@]23C ZINC000238774087 EH Annotated Mild C[C@H]1C(=O)[C@@]23CC[C@@H]4[C@]5(C)CCC[C@@]4([C@@H]4OCCN4C5)[C@@H]2CC[C@@H]1C3 ZINC000238774129 EH Annotated Anodyne CO[C@@]12C[C@@H]3[C@H](CC[C@@]4(O)C(C)(C)CCC[C@]34C)[C@@H](C)C1=CC(=O)O2 ZINC000238774229 EH Annotated Anodyne C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CC/C(=C\CO)CO ZINC000238774266 EH Annotated Anodyne C/C1=C/C[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C[C@@H](C)CC(=O)C1)OC3=O ZINC000238774444 EH Annotated Anodyne CC(C)=C1CC[C@@]2(C)CC[C@@]3(O[C@@H](C[C@@H]3C)C[C@]3(C)O[C@H]3C1=O)O2 ZINC000238774482 EH Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@H](O)/C(C)=C\CO ZINC000238774667 EH Annotated Mild C[C@]12C[C@H]3OC(=O)C4=CCC[C@H]([C@]43C)[C@]13C[C@H](c1ccoc1)O[C@@H]3O2 ZINC000238774744 EH Annotated Anodyne C=C1C(=O)O[C@@H]2CC(=C)[C@@H]3C[C@H](OC(=O)CC(C)C)C(=C)[C@@H]3C[C@H]12 ZINC000238774827 EH Annotated Mild CC(C)c1cc2c(c(O)c1O)C[C@]1(C)OC(=O)CC(C)(C)C1=CC2=O ZINC000238774904 EH Annotated Mild Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]23CN(C)[C@@H](C)[C@H]2CC[C@@H]13 ZINC000238775228 EH Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@]1(C)CC/C=C(\C)CC[C@@H]2O ZINC000238775296 EH Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](O)C1=C[C@@H](OC)OC1=O ZINC000238775344 EH Annotated Mild C=C/C(C)=C\C=C\[C@@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](O)C(C)(C)O1 ZINC000238775582 EH Annotated Anodyne CC1(C)C(Br)=C[C@H](O)[C@]2(C)O[C@@H]3C[C@]12CC[C@]3(C)Cl ZINC000238775683 EH Annotated Anodyne C#C/C=C\[C@H](Cl)[C@H]1[C@@H]2C[C@@H]3O/C(=C(/Br)CC)[C@H]1[C@@H]3O2 ZINC000238775992 EH Annotated Reactive C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]2O[C@]12C ZINC000238776047 EH Annotated Anodyne C/C(=C/CC/C(=C\CC/C(C)=C/CCC1=CC(=O)OC1)C(=O)O)CO ZINC000238776338 EH Annotated Anodyne CC(C)CC(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(CO)c3C[C@]2(C)[C@H]1C ZINC000238776367 EH Annotated Anodyne C#C/C=C\C[C@H]1O[C@H]2C[C@@H](Br)[C@@H](CC)O[C@H]2C[C@H]1Cl ZINC000238776411 EH Annotated Reactive CNCCc1c(OC)c(OC)c(OC)c2c1ccc1ccccc12 ZINC000238776426 EH Annotated Bother C[C@H](CC[C@@]1(C)[C@@H]2CCC[C@@](C)(CO)C2=CC(=O)[C@@H]1C)CC(=O)O ZINC000238776443 EH Annotated Mild C[C@H](CCO)CC[C@@]1(C)[C@H](C)CC[C@@]2(CO)C(C(=O)O)=CCC[C@@H]21 ZINC000238776542 EH Annotated Anodyne COc1oc2cccc([C@H](C)OC(C)=O)c2c(=O)c1CC=C(C)C ZINC000238776627 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CCC2=CC(=O)C(C(C)(C)O)=C[C@]2(C)[C@H]1C ZINC000238776775 EH Annotated Mild C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@]3(CC[C@@H]12)C[C@@]45C(=O)O ZINC000238776983 EH Annotated Anodyne C#C/C=C/C[C@H]1O[C@@H]2C[C@@H](Cl)C[C@H](Br)[C@@H](CC)O[C@H]12 ZINC000238777014 EH Annotated Reactive C=C/C(C)=C/C=C/[C@@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](O)C(C)(C)O1 ZINC000238777040 EH Annotated Anodyne Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C)C(=O)O[C@@H]3[C@H]2[C@@H](C)CC[C@H]21 ZINC000238777106 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238777133 EH Annotated Anodyne C#C/C=C\[C@@H](Cl)[C@@H]1[C@@H]2C[C@@H]3O/C(=C(/Br)CC)[C@H]1[C@@H]3O2 ZINC000238777185 EH Annotated Reactive C[C@@]12CC[C@H]3[C@]4(C)CCC[C@]3([C@@H](OC4=O)O1)[C@H]2CC(=O)c1ccoc1 ZINC000238777268 EH Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 ZINC000238777446 EH Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)C1=C[C@@H](OC)OC1=O ZINC000238777498 EH Annotated Mild C=C[C@@](C)(O)[C@@H](O)C[C@@H]1C(=C)CC[C@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000238777532 EH Annotated Mild C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@]1(C)O[C@]1(Cl)C2 ZINC000238777562 EH Annotated Reactive C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN4CCO[C@H]45)[C@@H]3C2)[C@@H]1O ZINC000238777904 EH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CC[C@@]2(C)CC(=O)C(=C(C)C)C[C@@H]2[C@]1(C)O ZINC000238777935 EH Annotated Mild C[C@@H]1CC(C)(C)c2c(cc(O)c3c(=O)c4c(O)ccc(O)c4oc23)O1 ZINC000238777988 EH Annotated Bother CC(C)(C(=O)O)[C@H]1CC[C@]23C=C[C@](C)(C2)C(=O)C[C@H]3[C@]1(C)CC(=O)O ZINC000238778049 EH Annotated Anodyne CC(C)=CC/C=C(/C)C1=CC[C@](C)(O)[C@H]1CC1=C(O)[C@H](O)CCC1=O ZINC000238778072 EH Annotated Mild COC1=C(C/C=C(\C)CCC=C(C)C)C(=O)C(C(C)=O)=C(O)C1=O ZINC000238778253 EH Annotated Mild C/C=C(\C)[C@H]1[C@H](/C=C/C=C/C(=O)O)[C@H]2[C@@H](C)CCC[C@]2(O)C(=O)[C@@H]1C ZINC000238778339 EH Annotated Anodyne CC(C)=CC/C=C(\C)[C@@H]1CC[C@](C)(O)[C@H]1CC1=C(O)CC[C@H](O)C1=O ZINC000238778369 EH Annotated Mild CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CC/C(=C/C=O)C(=O)O ZINC000238778586 EH Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@]2(O)C1 ZINC000238778903 EH Annotated Anodyne C=C(C)[C@H]1Oc2cc(OC)c(C(C)=O)cc2[C@H]1OC(=O)/C(C)=C\C ZINC000238779238 EH Annotated Mild C=C[C@](C)(O)/C=C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]1OC1(C)C ZINC000238779307 EH Annotated Mild C/C(=C\CO)CC[C@]1(C)[C@@H](C)C[C@H](O)[C@]2(C)C(C(=O)O)=CCC[C@H]21 ZINC000238779507 EH Annotated Anodyne C=C1C(=O)O[C@H]2C(=O)[C@@H](C)CCC/C(C)=C/CC[C@]3(C)O[C@H]3C[C@H]12 ZINC000238779936 EH Annotated Mild C[C@]1(O)CC[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]1CCC1=CCOOC1 ZINC000238780077 EH Annotated Reactive C=C1C(=O)O[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238780085 EH Annotated Mild C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]23O[C@H]2CC[C@H](C)[C@@]13C ZINC000238780164 EH Annotated Mild C[C@@]1(C2=CO[C@H](c3ccoc3)C2)C[C@@H]2OC(=O)C3=CCC[C@H](O1)[C@@]32C ZINC000238780196 EH Annotated Anodyne C[C@]12C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)C[C@@H](O)C[C@@H]45)[C@@]3(C)[C@](C)(CN1)O2 ZINC000238780320 EH Annotated Anodyne CCCC/C=C/c1cc2c(cc1O)C(=O)c1cc(O)cc(O)c1C2=O ZINC000238780485 EH Annotated Clean C/C=C1\CC[C@H]2C3=Nc4ccccc4[C@]34C[C@@H](C[C@@H]4OC(C)=O)N2C1 ZINC000238780523 EH Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CC/C(C=O)=C/C(=O)O ZINC000238780576 EH Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)Cc3c(CO)coc3C[C@@H]12 ZINC000238780689 EH Annotated Anodyne O=[N+]([O-])c1ccc(N/N=C\C=C/Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000238780705 EH Annotated Mild O=[N+]([O-])c1ccc(N/N=C\C=C\Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000238780712 EH Annotated Mild O=[N+]([O-])c1ccc(N/N=C/C=C\Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000238780718 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)Cc3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238780721 EH Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@](C)(CC(=O)O)O1 ZINC000238780730 EH Annotated Anodyne CC(C)=CC/C=C(\C)[C@@H]1CC[C@](C)(O)[C@H]1CC1=C(O)[C@H](O)CCC1=O ZINC000238780937 EH Annotated Mild C/C(=C/CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)CO)CO ZINC000238781104 EH Annotated Anodyne CC[C@H]1C[C@H]2CN3CC[C@@H]4C(=Nc5ccccc54)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238781108 EH Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@H](CO)[C@@]12CC=C(C(=O)O)[C@@H](O)C2 ZINC000238781125 EH Annotated Anodyne CC(C)C1=CC(=O)C([C@]2(C)CCCC(C)(C)[C@H]2CC(=O)O)=CC1=O ZINC000238781246 EH Annotated Mild CC1(C)CCC[C@@]2(C)C1=CC(=O)c1cc(C(C)(C)O)c(O)c(O)c12 ZINC000238781280 EH Annotated Mild C/C(=C\CCC1=CC(=O)OC1)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000238781422 EH Annotated Anodyne CC[C@@]12CC=CCN1CCc1c([nH]c3ccccc13)[C@H](C(=O)OC)C2 ZINC000238781627 EH Annotated Anodyne C=C1CC[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238781695 EH Annotated Mild CCCCC(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 ZINC000238781772 EH Annotated Anodyne C[C@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000238781820 EH Annotated Anodyne C=C[C@](C)(O)/C=C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]1OC1(C)C ZINC000238781851 EH Annotated Mild C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2O[C@@]2(C)CC[C@@H]1OO ZINC000238781861 EH Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]23O[C@H]2CC[C@H](C)[C@@]13C ZINC000238781943 EH Annotated Anodyne CC(C)[C@]12C=C3C(=O)C[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@]3(CC1)OO2 ZINC000238782102 EH Annotated Reactive O=C1C=C(CCc2ccc(O)cc2)O[C@@H](CCc2ccc(O)cc2)C1 ZINC000238782120 EH Annotated Mild CC(=O)O[C@@]1(C)CCC[C@@]2(C)[C@@H]1C[C@H](O)[C@]13C[C@H](CC[C@@H]12)[C@@H](C)C3=O ZINC000238782390 EH Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3ccc(O)c(OC)c3oc12 ZINC000238782480 EH Annotated Mild CC(=O)O[C@H]1/C=C(/C)CC[C@@H]2O[C@@]2(C)CC[C@H](OC(C)=O)C1(C)C ZINC000238782581 EH Annotated Anodyne C=C(COC(=O)CC(C)(C)O)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(C)=C2C1 ZINC000238782968 EH Annotated Mild C[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](O)[C@@]2(C)OC[C@]13C[C@@H](O)c1ccoc1 ZINC000238783016 EH Annotated Anodyne C/C1=C\CC(=O)[C@@H](C)CC(=O)[C@H]([C@@H](C)C(=O)O)[C@@H]2[C@H](CC1)C2(C)C ZINC000238783075 EH Annotated Anodyne CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O ZINC000238783186 EH Annotated Anodyne C[C@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@]45CCC(=O)OC[C@]34CC[C@H]1[C@@H]25 ZINC000238783226 EH Annotated Anodyne C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)CCC/C(C)=C/CC[C@]3(C)O[C@H]3C[C@H]12 ZINC000238783275 EH Annotated Mild CC[C@]12CCCN3CC[C@@]4(c5ccc(OC)c(OC)c5N[C@H]4CC1)[C@@H]32 ZINC000238783608 EH Annotated Anodyne CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000238783631 EH Annotated Bother C[C@H](CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C)CC(=O)O ZINC000238783636 EH Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)CC[C@@H]3O[C@@]3(C)C(=O)C[C@@H]12 ZINC000238783875 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]3O[C@@]3(C)C(=O)C[C@@H]12 ZINC000238783878 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)CC[C@@H]3O[C@@]3(C)C(=O)C[C@@H]12 ZINC000238783883 EH Annotated Mild C=C1C(=O)O[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238783884 EH Annotated Mild C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=COC(=O)C1 ZINC000238784054 EH Annotated Anodyne C=C(C)[C@H]1C/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]2O[C@]2(C)C(=O)C1 ZINC000238784272 EH Annotated Mild C=CC(C)(C)c1cc(OC)c(O)c2c(=O)c3cccc(O)c3oc12 ZINC000238784478 EH Annotated Mild CCOC(=O)Cc1cc(O)cc2c1C(=O)CCCCC[C@H](CC)O2 ZINC000238784551 EH Annotated Anodyne C=CCc1ccc(O)c(-c2cc([C@H](C(=O)CC)[C@H](C)O)ccc2O)c1 ZINC000238784832 EH Annotated Mild COC1=CC(=O)O[C@@H](c2coc(/C(C)=C/c3ccc(Cl)[nH]3)n2)[C@H]1C ZINC000238784888 EH Annotated Anodyne CC1(C)CC(=O)c2c(ccc3c2O/C(=C\c2ccc(O)cc2)C3=O)O1 ZINC000238784979 EH Annotated Mild C/C=C(\C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)C=CC=C(C)[C@H]21 ZINC000238785009 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)C=CC=C(C)[C@H]21 ZINC000238785010 EH Annotated Anodyne COC(=O)[C@@]1(C)CC[C@@H]2[C@](C=O)(CC[C@@H]3[C@](C)(C=O)CCC[C@@]23C)C1 ZINC000238785022 EH Annotated Mild C=C1CC[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@H]2C(=C)[C@@H](OC(=O)C=C(C)C)C[C@@H]12 ZINC000238785047 EH Annotated Mild CC1=CCOO[C@H]1C[C@@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(C)=CC(=O)C[C@@H]21 ZINC000238785091 EH Annotated Reactive C=C[C@@](C)(O)CC[C@@H]1C(=C)[C@@H](OO)C[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C ZINC000238785101 EH Annotated Reactive C=C[C@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@@]3(O)C(C)(C)CCC[C@]23C)O1 ZINC000238785260 EH Annotated Mild C=C1[C@H](OC(=O)/C=C(/C)CC)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 ZINC000238785374 EH Annotated Mild C/C=C1\CC[C@H]2C3=Nc4ccccc4[C@]34C[C@@H](C[C@H]4OC(C)=O)N2C1 ZINC000238785515 EH Annotated Anodyne CC(C)=C1C/C=C(/C)CC[C@H](O)[C@H](C(=O)O)[C@@H](O)C/C=C(\C)CC1 ZINC000238786045 EH Annotated Anodyne CC(C)=C1C/C=C(/C)CC[C@H](O)[C@H](C(=O)O)[C@@H](O)C/C=C(/C)CC1 ZINC000238786046 EH Annotated Anodyne CC(C)=C1C/C=C(\C)CC[C@H](O)[C@H](C(=O)O)[C@@H](O)C/C=C(\C)CC1 ZINC000238786048 EH Annotated Anodyne CC(C)=C1C/C=C(\C)CC[C@H](O)[C@H](C(=O)O)[C@@H](O)C/C=C(/C)CC1 ZINC000238786051 EH Annotated Anodyne C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)OC)CO[C@H](O)[C@@H]12 ZINC000238786323 EH Annotated Mild CC(=O)CCCCCCC[C@H](C[C@H]1C(=O)O[C@@H](C)[C@H]1O)C(C)C ZINC000238786726 EH Annotated Anodyne C=CC(C)(C)Oc1ccc(C2=C(CC(C)C)C(=O)N(O)C2=O)cc1 ZINC000238786748 EH Annotated Mild C=C[C@@]1(C)CCC2=C([C@@H](OC)C[C@@H]3C(C)(C)CC[C@@H](O)[C@@]23C)[C@H]1O ZINC000238787002 EH Annotated Mild C=C1CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H](O)[C@@]2(C)CC[C@@H]1O2 ZINC000238787235 EH Annotated Mild C=C1CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H](O)[C@@]2(C)CC[C@@H]1O2 ZINC000238787236 EH Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C(OC)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000238787309 EH Annotated Anodyne C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC/C(=C/Cl)C(=O)C2 ZINC000238787331 EH Annotated Reactive CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(=C\CO)CO ZINC000238787411 EH Annotated Anodyne CC1=C(C=O)C[C@@H]2[C@@](C)(CC/C(C=O)=C\C(=O)O)[C@H](C)CC[C@@]12C ZINC000238787418 EH Annotated Reactive CC(C)=CC/C=C(/C)[C@@H]1CC[C@](C)(O)[C@H]1CC1=C(O)[C@H](O)CCC1=O ZINC000238787571 EH Annotated Mild CC1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000238787620 EH Annotated Mild C[C@@]1(C(=O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)/C(=C/O)[C@]3(C)CC[C@@H]2C1 ZINC000238787719 EH Annotated Mild O=S(=O)(O)c1ccc2c3c1-c1cc(ccc1O)CC/C=C/[C@@H]3CC2 ZINC000238788071 EH Annotated Anodyne C/C(=C/C(=O)O)CC[C@@]1(C)[C@H](C)CC=C2[C@@H]1C[C@@H](O)[C@@H](O)C2(C)C ZINC000238788133 EH Annotated Anodyne C/C(=C\C(=O)O)CC[C@@]1(C)[C@H](C)CC=C2[C@@H]1C[C@@H](O)[C@@H](O)C2(C)C ZINC000238788135 EH Annotated Anodyne C=C1C[C@@H](O)/C=C(\C)CC[C@H]2[C@H]1[C@@H](OC)O[C@@]2(/C=C/C=C(C)C)CO ZINC000238788197 EH Annotated Mild COC(=O)[C@]12C=NC[C@@]3(CCC1)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@H]32 ZINC000238788612 EH Annotated Anodyne C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)[C@@]2(C)[C@H](/C=C\C(C)(C)O)OC ZINC000238788696 EH Annotated Mild CC(C)/C1=C/C[C@](C)(O)/C=C/C(=O)[C@]2(C)CCC=C(CC1)C(=O)O2 ZINC000238788773 EH Annotated Mild CC1=CC(=O)c2c(ccc3c2O/C(=C\c2ccc(O)cc2)C3=O)OC1 ZINC000238788902 EH Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1[C@H]1C=C(C=O)C[C@@H](O)OO1 ZINC000238788997 EH Annotated Reactive COc1c(O)cc2cc1Oc1ccc(cc1)CCCOC(=O)/C=C\2 ZINC000238789156 EH Annotated Anodyne C/C=C\OC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@]21CO1 ZINC000238789595 EH Annotated Anodyne CCCC[C@H](CC)C[C@@](O)(/C=C(/CC)[C@H](O)CC(=O)OC)CC ZINC000238789607 EH Annotated Anodyne CC(C)(O)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3 ZINC000238789743 EH Annotated Clean C[C@H]1CN2[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@]1(C)[C@@H]1CC[C@H]3CCC=C3[C@@H]12 ZINC000238789747 EH Annotated Anodyne CCCC[C@H](CC)C[C@@](O)(/C=C(\CC)[C@@H](O)CC(=O)OC)CC ZINC000238789843 EH Annotated Anodyne CC[C@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245257640 EH Annotated Anodyne CC[C@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245257641 EH Annotated Anodyne CC1=C[C@H](C)[C@H]([C@@H]2OCCN2C[C@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000247856591 EH Annotated Anodyne CC1=C[C@H](C)[C@H]([C@@H]2OCCN2C[C@H]2COC3(CCCCC3)O2)[C@H](C)C1 ZINC000247856593 EH Annotated Anodyne CC(C)Cc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O ZINC000002500005 EH Annotated Anodyne CCCCc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O ZINC000002500077 EH Annotated Anodyne CCCCc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N(C)C)o1 ZINC000002502441 EH Annotated Anodyne FC(F)(F)c1ccc(N2CCOCC2)c(/N=C2\CCCCCN2)c1 ZINC000002638315 EH Annotated Mild O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2n1 ZINC000002640760 EH Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1F ZINC000002721927 EH Annotated Anodyne COC(=O)Cc1nc(Nc2ccccc2F)c2c(C)c(C)sc2n1 ZINC000002910816 EH Annotated Anodyne CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 ZINC000002919602 EH Annotated Anodyne CCOc1ccc([C@H]2C[C@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 ZINC000002919603 EH Annotated Anodyne CCOc1ccc([C@@H]2C[C@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 ZINC000002919604 EH Annotated Anodyne Cc1c(C(=O)N2CCCC2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000002924262 EH Annotated Anodyne Cc1c(C(=O)N2CCCC2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000002924264 EH Annotated Anodyne NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3 ZINC000002925639 EH Annotated Anodyne Cc1nc(N2CCN(c3ccc(F)cc3)CC2)c2cc(C)sc2n1 ZINC000002927780 EH Annotated Anodyne CCCCNC(=O)c1sc(=S)n2c1nc(O)c1ccccc12 ZINC000002956460 EH Annotated Anodyne COc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)NCc1ccco1)CC2 ZINC000025206459 EH Annotated Anodyne COc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)NCc1ccco1)CC2 ZINC000025206463 EH Annotated Anodyne COc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)NCc1ccco1)CC2 ZINC000025206467 EH Annotated Anodyne Cc1nc(C/C(=N\Nc2ccccc2)c2ccc(O)cc2O)cs1 ZINC000025329742 EH Annotated Mild O=C1[C@@H]2CCCN2[C@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 ZINC000250105539 EH Annotated Anodyne O=C1[C@@H]2CCCN2[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000250233738 EH Annotated Anodyne COc1cccc([C@@H]2N(c3cccc(Cl)c3)C(=O)[C@@H]3CCCN32)c1 ZINC000250443911 EH Annotated Anodyne COc1cccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN32)c1 ZINC000250446593 EH Annotated Anodyne CCOc1ccccc1[C@@H]1N(c2ccc(F)cc2)C(=O)[C@@H]2CCCN21 ZINC000250505206 EH Annotated Anodyne CCc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250512844 EH Annotated Anodyne COc1ccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250575081 EH Annotated Anodyne COc1ccc([C@@H]2N(c3cccc(Cl)c3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250591186 EH Annotated Anodyne CCOc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250634242 EH Annotated Anodyne CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccc(C)c(C)c1 ZINC000251170147 EH Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]1C ZINC000252022870 EH Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]1C ZINC000252022872 EH Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]1C ZINC000252022874 EH Annotated Anodyne COc1cc2nc(=S)n(Cc3ccc(C)cc3)c(O)c2cc1OC ZINC000253496749 EH Annotated Anodyne COc1cc2nc(=S)n(Cc3ccc(F)cc3)c(O)c2cc1OC ZINC000253496752 EH Annotated Anodyne Nc1nn2c(O)c3c(nc2c1N=Nc1ccc(Cl)cc1)CCCC3 ZINC000253531718 EH Annotated Clean Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3CC[C@@H](O)CC3)c2c1C ZINC000253633578 EH Annotated Anodyne CCCCCNC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000253635006 EH Annotated Anodyne CCCCCNC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000253635011 EH Annotated Anodyne C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000253636214 EH Annotated Mild C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000253636215 EH Annotated Mild C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1[C@@H]1C[C@H]1[C@@]21CCC(=O)O1 ZINC000253636216 EH Annotated Mild COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccsc3)cc1)N2 ZINC000253636781 EH Annotated Anodyne COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccsc3)cc1)N2 ZINC000253636789 EH Annotated Anodyne C[C@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O ZINC000253637142 EH Annotated Anodyne CCN1CCN(C(C)C)[C@@H]2CCn3c(c(C)c4cc(OC)ccc43)[C@H]21 ZINC000253639411 EH Annotated Anodyne CCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4cc(OC)ccc43)[C@H]21 ZINC000253639414 EH Annotated Anodyne O=S(=O)(CCCCN1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000253639675 EH Annotated Anodyne Cc1cnc(CCC(=O)N[C@@H]2CC[C@@H](c3ccc(O)cc3)CC2)s1 ZINC000253656805 EH Annotated Anodyne CN1C[C@H]2CC[C@@H](OCc3ccccc3)[C@H]1CN2Cc1ccccc1 ZINC000253665391 EH Annotated Anodyne O[C@]1(c2ccc(-c3ccccc3F)cc2)CN2CCCC[C@H]2CO1 ZINC000253665724 EH Annotated Anodyne c1ccc(OC[C@@H]2[C@H]3CN(Cc4cnc5ccccc5c4)C[C@H]32)cc1 ZINC000253668560 EH Annotated Anodyne c1ccc(OC[C@H]2[C@H]3CN(Cc4cnc5ccccc5c4)C[C@@H]23)cc1 ZINC000253668568 EH Annotated Anodyne O=C(NN=C/C(Br)=C/c1ccccc1)c1ccc(F)cc1 ZINC000253677741 EH Annotated Reactive O=C(NN=C/C(Br)=C\c1ccccc1)c1ccc(F)cc1 ZINC000253677750 EH Annotated Reactive CCCCCCCCN1CCN2CCc3cc(O)c(O)cc3[C@H]2C1 ZINC000253677905 EH Annotated Mild OC1CCN(CC2CCN([C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000253678097 EH Annotated Anodyne COc1ccc([C@@H](C)Cn2ccnc2O)cc1O[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253682225 EH Annotated Anodyne COc1ccc([C@@H](C)Cn2ccnc2O)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253682232 EH Annotated Anodyne COc1ccc([C@H](C)Cn2ccnc2O)cc1O[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253682238 EH Annotated Anodyne COc1ccc([C@H](C)Cn2ccnc2O)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253682244 EH Annotated Anodyne C=C1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000253686194 EH Annotated Mild C=C1O[C@H](OC)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000253686200 EH Annotated Mild CN(C)[C@@]12CC(=O)N[C@@H]([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000253686395 EH Annotated Anodyne C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253688778 EH Annotated Mild C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000253688783 EH Annotated Mild C[C@]12C=CC(=O)C=C1C=C[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@]3(C)C=C[C@@H]12 ZINC000253688787 EH Annotated Mild CCCCC[C@@H]1C=C[C@@H]2[C@H](O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 ZINC000253693037 EH Annotated Anodyne COC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253809419 EH Annotated Mild COC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253809424 EH Annotated Mild COC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253809428 EH Annotated Mild COC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253809431 EH Annotated Mild Cc1nc(C(=O)N[C@@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@H]42)c(C)n1-c1ccccc1 ZINC000253870070 EH Annotated Anodyne Cc1nc(C(=O)N[C@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@H]42)c(C)n1-c1ccccc1 ZINC000253870071 EH Annotated Anodyne O=C(O)c1ccccc1N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000253916617 EH Annotated Clean Nc1nn2c(-c3ccccc3)cc(O)nc2c1N=Nc1ccc(O)cc1 ZINC000253928515 EH Annotated Clean CO[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)[C@H](OC)c1ccccc1)[C@@H](C)C(C)=O ZINC000253947813 EH Annotated Anodyne CO[C@H]([C@H](C)C(C)=O)[C@@H](C)[C@@H](OC)[C@@H](C)[C@H](OC)c1ccccc1 ZINC000253947816 EH Annotated Anodyne CO[C@H](c1ccccc1)[C@H](C)[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C(C)=O ZINC000253947818 EH Annotated Anodyne CO[C@H](c1ccccc1)[C@H](C)[C@H](OC)[C@H](C)[C@@H](OC)[C@H](C)C(C)=O ZINC000253947821 EH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1N=NN1CCSCC1 ZINC000253951172 EH Annotated Clean aggregator C[C@H]1CC[C@@H]2C(=O)O[C@H](C)CN2[C@H]1c1ccc(Br)cc1 ZINC000253952924 EH Annotated Anodyne C[C@@H]1CN2[C@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000253952927 EH Annotated Anodyne C=CCn1c(O)c(N=NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000253966782 EH Annotated Mild C=CCn1c(O)c(N=NC(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000253966790 EH Annotated Mild O=[N+]([O-])c1ccc2[nH]c(O)c(N=NC(S)=Nc3cccnc3)c2c1 ZINC000253978894 EH Annotated Mild Cc1ccc(C)c(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)c1 ZINC000253979189 EH Annotated Clean COc1ccc(-c2ccccc2[C@@H]2N[C@@H](C(=O)O)CC[C@H]2C)cc1 ZINC000253979396 EH Annotated Anodyne Cc1c(N=Nc2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000253979483 EH Annotated Clean CC1(C)OC(=O)C(N=Nc2ccc(Br)cc2)=C(O)O1 ZINC000253981469 EH Annotated Clean O=C(CCn1cnc2ccccc21)N=Nc1c(O)[nH]c2ccccc12 ZINC000253982923 EH Annotated Clean Nc1nn2c(C(F)(F)F)cc(O)nc2c1N=Nc1cccc(F)c1 ZINC000253986381 EH Annotated Clean CN(C)c1cccc(N=C2C=C(N3CCOCC3)CC(C)(C)C2)c1 ZINC000253986581 EH Annotated Mild CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@H]1c1ccccc1)[C@H]32 ZINC000254005105 EH Annotated Anodyne CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@H]1c1ccccc1)[C@@H]32 ZINC000254005127 EH Annotated Anodyne CC(=O)[C@@]12[C@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@H]31)[C@@H]2c1ccccc1 ZINC000254005138 EH Annotated Anodyne Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1ccccc1 ZINC000254010563 EH Annotated Mild COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=CC[C@H]21 ZINC000254011955 EH Annotated Anodyne COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 ZINC000254011959 EH Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=CC[C@H]21 ZINC000254011961 EH Annotated Anodyne COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 ZINC000254011964 EH Annotated Anodyne CC(C)OC(=O)[C@@H]1CC[C@H](C)[C@H](CCC[C@H]2CC=C[C@H](CC#N)O2)O1 ZINC000254015265 EH Annotated Mild CC(C)OC(=O)[C@@H]1CC[C@H](C)[C@H](CCC[C@@H]2CC=C[C@H](CC#N)O2)O1 ZINC000254015271 EH Annotated Mild CC(C)OC(=O)[C@@H]1CC[C@H](C)[C@H](CCC[C@H]2CC=C[C@@H](CC#N)O2)O1 ZINC000254015274 EH Annotated Mild CC(C)OC(=O)[C@@H]1CC[C@H](C)[C@H](CCC[C@@H]2CC=C[C@@H](CC#N)O2)O1 ZINC000254015278 EH Annotated Mild O[C@@H]1[C@@H]2O[C@H]2c2c(ccc3c4ccccc4c4ccccc4c23)[C@H]1O ZINC000254042521 EH Annotated Bother O[C@H]1[C@H](O)c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]2O[C@@H]21 ZINC000254043355 EH Annotated Bother O[C@@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]2O[C@H]2[C@@H]1O ZINC000254043359 EH Annotated Bother O[C@@H]1[C@@H]2O[C@H]2c2ccc3cc4c(ccc5ccccc54)cc3c2[C@H]1O ZINC000254043363 EH Annotated Bother C[C@@H]1C[C@@H]2CCC[C@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000254047290 EH Annotated Anodyne CC(C)[C@@H]1NC(=O)C[C@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 ZINC000254075982 EH Annotated Anodyne CCN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)C[C@H]1C ZINC000254092443 EH Annotated Anodyne O=C1C(Br)=C(c2ccccc2)[S@@](=O)c2ccccc21 ZINC000254093748 EH Annotated Mild O=C1C(Br)=C(c2ccccc2)[S@](=O)c2ccccc21 ZINC000254093749 EH Annotated Mild CC(C)C(/C=C/c1ccccc1)=NNS(=O)(=O)c1ccccc1 ZINC000254096132 EH Annotated Mild CC(C)C(/C=C\c1ccccc1)=NNS(=O)(=O)c1ccccc1 ZINC000254096134 EH Annotated Mild CC(=O)N(C)C[C@@H]1C[C@@H](c2ccc(CN3CCCC3)c(Cl)c2)C1 ZINC000254132301 EH Annotated Anodyne C=CCn1c(=NC(=O)c2cccs2)sc2cccc(OC)c21 ZINC000254287271 EH Annotated Mild O=S(=O)(ON=C1CCCc2sc(Cl)cc21)c1ccccc1 ZINC000254340294 EH Annotated Mild O=C(CCl)N=c1sccn1Cc1ccc(Cl)cc1Cl ZINC000254372552 EH Annotated Reactive Cc1ccc(-c2cc(C(=O)NN=C/C=C/c3ccccc3)[nH]n2)s1 ZINC000254494290 EH Annotated Reactive aggregator CCn1c(=Nc2ccc(N3CCOCC3)cc2)ccc2ccccc21 ZINC000254516528 EH Annotated Anodyne CC(C[C@H]1CC(C)(C)OC1=O)=N/N=c1\[nH]c(-c2ccccc2)cs1 ZINC000254615738 EH Annotated Mild aggregator CC(C[C@@H]1CC(C)(C)OC1=O)=N/N=c1\[nH]c(-c2ccccc2)cs1 ZINC000254615739 EH Annotated Mild aggregator C[C@@H]1CCc2sc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])cc2C1 ZINC000254730159 EH Annotated Reactive aggregator C[C@H]1CCc2sc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])cc2C1 ZINC000254730160 EH Annotated Reactive aggregator O=C(CSc1nc2ccccc2o1)NN=C/C=C/c1ccccc1 ZINC000254735075 EH Annotated Reactive CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])C1=Nc1cccc(Cl)c1 ZINC000254819315 EH Annotated Mild CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])C1=Nc1cccc(Cl)c1 ZINC000254819316 EH Annotated Mild O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccccc1 ZINC000254825782 EH Annotated Mild COc1ccc(-c2cc(=NCCC(=O)O)c3cc(C)ccc3o2)cc1 ZINC000254840451 EH Annotated Anodyne O=C1N/C(=N\N=Cc2cccs2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000254876679 EH Annotated Mild aggregator O=C1N/C(=N\N=Cc2cccs2)S[C@H]1Cc1cccc(Cl)c1 ZINC000254876680 EH Annotated Mild aggregator c1ccc2c(c1)Oc1ncccc1[C@@H]2SCCCN1CCOCC1 ZINC000025967677 EH Annotated Anodyne c1ccc2c(c1)Oc1ncccc1[C@H]2SCCCN1CCOCC1 ZINC000025967683 EH Annotated Anodyne c1ccc2c(c1)Oc1ccccc1C2SCCN1CCOCC1 ZINC000025971716 EH Annotated Anodyne O=C(O)[C@@H]1Cc2cc3c(-c4ccc(F)cc4)noc3c(Cl)c2O1 ZINC000025974981 EH Annotated Anodyne O=C(O)[C@H]1Cc2cc3c(-c4ccc(F)cc4)noc3c(Cl)c2O1 ZINC000025974989 EH Annotated Anodyne Cc1ccccc1-c1noc2c(Cl)c3c(cc12)C[C@H](C(=O)O)O3 ZINC000025975912 EH Annotated Anodyne Cc1ccccc1-c1noc2c(Cl)c3c(cc12)C[C@@H](C(=O)O)O3 ZINC000025975918 EH Annotated Anodyne O=C(O)[C@@H]1Cc2cc3c(-c4cccc(F)c4)noc3c(Cl)c2O1 ZINC000025976885 EH Annotated Anodyne O=C(O)[C@H]1Cc2cc3c(-c4cccc(F)c4)noc3c(Cl)c2O1 ZINC000025976893 EH Annotated Anodyne CSc1ccc(C(=O)c2ccc3n2CCCC[C@@H]3C(=O)O)cc1 ZINC000025992195 EH Annotated Anodyne CSc1ccc(C(=O)c2ccc3n2CCCC[C@H]3C(=O)O)cc1 ZINC000025992202 EH Annotated Anodyne COc1ccc(Sc2ccc(NC3=NC(C)(C)CN3)cc2)cc1 ZINC000025999805 EH Annotated Anodyne C[C@@H]1OC(=O)[C@]23CC[C@@H]4[C@H](C=CC5=CC(=O)CC[C@@]54C)[C@@H]2CC[C@H]13 ZINC000255207271 EH Annotated Mild C[C@@H]1OC(=O)[C@]23CC[C@@H]4C(=CCC5=CC(=O)CC[C@@]54C)[C@@H]2CC[C@H]13 ZINC000255209653 EH Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2C=C[C@H](O)[C@]21C ZINC000255218320 EH Annotated Anodyne C[C@H]1[C@H]2CC=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C(=O)N1C ZINC000255219472 EH Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2C=CC(=O)[C@]21C ZINC000255278508 EH Annotated Mild O=C(O)c1ccccc1-n1cnc(CN2CCCc3ccccc32)c1 ZINC000257232028 EH Annotated Anodyne C=C1[C@H]2CC(=O)[C@H]([C@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257376677 EH Annotated Mild C=C1[C@H]2CC(=O)[C@@H]([C@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257376678 EH Annotated Mild C=C1[C@H]2CC(=O)[C@@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257376679 EH Annotated Mild CC(C)C1=C[C@]2(O)CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@H]2CC1=O ZINC000257384163 EH Annotated Mild CC(C)C1=C[C@]2(O)CC[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O ZINC000257384164 EH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CCC2=CC(=O)C(C(C)(C)O)=C[C@@]2(C)[C@H]1C ZINC000257448664 EH Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@@]12C ZINC000257463208 EH Annotated Anodyne C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@H]45)[C@H]3C2)[C@@H]1O ZINC000257468918 EH Annotated Mild C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@H]45)[C@@H]3C2)[C@H]1O ZINC000257468919 EH Annotated Mild C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@H](CO)CCO ZINC000257494383 EH Annotated Mild C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@H](CO)CCO ZINC000257494384 EH Annotated Mild C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]12CC[C@@]1(C=COC1)O2 ZINC000257505563 EH Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]12CC[C@]1(C=COC1)O2 ZINC000257505564 EH Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@@]12CC[C@]1(C=COC1)O2 ZINC000257505565 EH Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2 ZINC000257505566 EH Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@@H](C)[C@@H]2C)OCO4)ccc1O ZINC000257512797 EH Annotated Anodyne CC1=CN([C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@H]2[C@@H]1CC[C@H]2C ZINC000257525945 EH Annotated Anodyne CC1=CN([C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@@H]12 ZINC000257525946 EH Annotated Anodyne CC1=CN([C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@H]12 ZINC000257525947 EH Annotated Anodyne CC1=CN([C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@H](C)CC[C@@H]12 ZINC000257525948 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC(C)=CC(=O)[C@]2(C)CC[C@](O)(C(C)C)[C@H]12 ZINC000257687531 EH Annotated Mild C[C@@H]1C(=O)c2ccc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 ZINC000257800073 EH Annotated Anodyne FC(F)(F)COc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 ZINC000026000353 EH Annotated Anodyne COc1ccc(Sc2ccc(NC3=NCCCCN3)cc2)cc1 ZINC000026003326 EH Annotated Anodyne c1cc(NC2=NCCN2)ccc1Cc1ccc(OC2CCCC2)cc1 ZINC000026004342 EH Annotated Anodyne I[C@]12N[C@H](Cc3ccccc31)c1ccccc12 ZINC000026012928 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 ZINC000026028458 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000026028466 EH Annotated Anodyne CC(=O)O[C@@H](C/C(C)=C/C(=O)O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000026157499 EH Annotated Anodyne CC(=O)O[C@H](C/C(C)=C/C(=O)O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000026157507 EH Annotated Anodyne O=C(Nc1ccccc1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 ZINC000026165591 EH Annotated Anodyne O=C1Cc2c(OCCNc3ccc4ccccc4c3)ccc(F)c2N1 ZINC000026168709 EH Annotated Anodyne C[C@]12CC[C@H](C3CCCCC3)C[C@@]1(O)CC[C@@H]2C/C=N\OCCN ZINC000026170821 EH Annotated Mild Clc1ccc([C@@H]([C@@H]2Cc3ccccc3O2)n2cnnn2)c(Cl)c1 ZINC000026175614 EH Annotated Anodyne Clc1ccc([C@H]([C@@H]2Cc3ccccc3O2)n2cnnn2)c(Cl)c1 ZINC000026175619 EH Annotated Anodyne Clc1ccc([C@@H]([C@H]2Cc3ccccc3O2)n2cnnn2)c(Cl)c1 ZINC000026175622 EH Annotated Anodyne Clc1ccc([C@H]([C@H]2Cc3ccccc3O2)n2cnnn2)c(Cl)c1 ZINC000026175628 EH Annotated Anodyne CN1C[C@@H](c2cccc(OCc3nc4ccccc4s3)c2)OC1=O ZINC000026178905 EH Annotated Anodyne CN1C[C@H](c2cccc(OCc3nc4ccccc4s3)c2)OC1=O ZINC000026178912 EH Annotated Anodyne Nc1ccc(-c2cc(=O)c3c(N)c(F)c(Cl)c(F)c3o2)cc1F ZINC000026181023 EH Annotated Anodyne c1cc2c(cc1[C@@H]1c3cocc3Cc3cc4c(cc31)OCO4)OCO2 ZINC000026181509 EH Annotated Anodyne c1cc2c(cc1[C@H]1c3cocc3Cc3cc4c(cc31)OCO4)OCO2 ZINC000026181514 EH Annotated Anodyne NC(=O)c1cccc2c1[nH]c1c3cc(Br)ccc3oc21 ZINC000026184590 EH Annotated Bother Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1cccnc1 ZINC000026248196 EH Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1cccnc1 ZINC000026248201 EH Annotated Anodyne COc1c(Cl)ccc2c1[C@](C#CC1CC1)(C(F)(F)F)NC(=O)N2 ZINC000026251849 EH Annotated Mild Cc1nccn1CC[C@H](C(N)=O)C1c2ccccc2Oc2ccccc21 ZINC000026261951 EH Annotated Anodyne Cc1nccn1CC[C@@H](C(N)=O)C1c2ccccc2Oc2ccccc21 ZINC000026261958 EH Annotated Anodyne Cc1nccn1CCCCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000026263059 EH Annotated Anodyne Cc1nn2c(/N=C(\O)c3ccccc3)nnc2cc1Cc1ccccc1 ZINC000026264020 EH Annotated Mild COc1ccc(C(=O)O)nc1-c1csc(CCc2ccccc2)n1 ZINC000026265095 EH Annotated Anodyne COc1ccc(C(=O)O)nc1-c1csc(Cc2ccccc2)n1 ZINC000026265808 EH Annotated Anodyne Cc1nccn1CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 ZINC000026268247 EH Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@@]2(C)CC[C@]1(OC)C3 ZINC000026270666 EH Annotated Mild C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(C(C)(C)C)ccc3O)CCN12 ZINC000026271150 EH Annotated Anodyne Cc1nnc(NNC(=O)Nc2ccccc2)cc1Cc1ccccc1 ZINC000026273840 EH Annotated Reactive O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(C2CC2)O3)N1 ZINC000026274885 EH Annotated Anodyne CCCCCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000026277758 EH Annotated Anodyne Cc1c(Br)ccc2c(=O)c3cccc(CC(=O)O)c3oc12 ZINC000026280241 EH Annotated Bother COc1cc(-c2csc3c2-n2cccc2C3=O)cc(OC)c1OC ZINC000026281449 EH Annotated Anodyne COC(=O)C(CCn1ccnc1C)(c1ccccc1)c1ccccc1 ZINC000026283643 EH Annotated Anodyne Cc1cc2nc(CP(=O)(O)O)c(-c3ccccc3)nc2cc1C ZINC000026284031 EH Annotated Anodyne CCCCN(CCCC)CC[C@@H]1CN(C)C(=S)c2cccnc2O1 ZINC000026288555 EH Annotated Anodyne CCCCN(CCCC)CC[C@H]1CN(C)C(=S)c2cccnc2O1 ZINC000026288560 EH Annotated Anodyne N#Cc1ccc(N/C(S)=N/C(=N)Cc2c(F)cccc2F)cc1 ZINC000026289405 EH Annotated Mild N#Cc1ccc(NC(=S)/N=C(/N)Cc2cccc(Cl)c2)cc1 ZINC000026293210 EH Annotated Mild N#Cc1ccc(/N=C(S)/N=C(\N)Cc2ccccc2Cl)cc1 ZINC000026294484 EH Annotated Mild CN(C)CCN1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O ZINC000026296786 EH Annotated Anodyne CCc1nnc2c(N(CC)CC)nc3cc(Cl)c(Cl)cc3n12 ZINC000026375718 EH Annotated Anodyne N#Cc1ccc(/N=C(S)/N=C(/N)Cc2ccc(Cl)cc2)cc1 ZINC000026376325 EH Annotated Mild Cc1nc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)no1 ZINC000026378782 EH Annotated Anodyne NN(CCc1ccccc1)c1nnc(-c2ccccc2Cl)s1 ZINC000026381587 EH Annotated Anodyne CC(C)(O)c1cc2cc(OCC(=O)O)c(Cl)c(Cl)c2s1 ZINC000026385567 EH Annotated Anodyne CNN(Cc1ccccc1)c1nnc(-c2ccccc2Cl)s1 ZINC000026385722 EH Annotated Anodyne COc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3cn2)cc1 ZINC000026386222 EH Annotated Anodyne O[C@@H](c1ccccc1)c1ccc(OCCO[C@@H]2CCCCO2)cc1 ZINC000026390644 EH Annotated Anodyne O[C@H](c1ccccc1)c1ccc(OCCO[C@@H]2CCCCO2)cc1 ZINC000026390648 EH Annotated Anodyne O[C@@H](c1ccccc1)c1ccc(OCCO[C@H]2CCCCO2)cc1 ZINC000026390651 EH Annotated Anodyne O[C@H](c1ccccc1)c1ccc(OCCO[C@H]2CCCCO2)cc1 ZINC000026390655 EH Annotated Anodyne Cc1noc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)n1 ZINC000026391390 EH Annotated Anodyne O=C(O)Cc1cc2c(c(C(=O)c3ccc(Cl)cc3)c1)SCC2 ZINC000026398335 EH Annotated Anodyne NNC(=O)N1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 ZINC000026399131 EH Annotated Reactive CC(CO)(CO)NCCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026403049 EH Annotated Bother COCCn1cc(SCC/N=C2\CCCN2C)c2ccccc21 ZINC000026404375 EH Annotated Mild C[C@@H](O)[C@@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026467984 EH Annotated Bother C[C@H](O)[C@@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026467993 EH Annotated Bother C[C@@H](O)[C@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026468001 EH Annotated Bother C[C@H](O)[C@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026468006 EH Annotated Bother C#CCn1c(C)c(SCC/N=C2\CCCN2C)c2ccccc21 ZINC000026468336 EH Annotated Mild CCCCCC[C@@H](O)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000026468431 EH Annotated Mild CCCCCC[C@H](O)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000026468437 EH Annotated Mild N#Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3=CCNCC3)c2c1 ZINC000026480611 EH Annotated Mild Oc1ccc(C2=c3ccc4n3[C@@H](C=CC=4)[C@@H]2CCc2ccccc2)cc1 ZINC000026481771 EH Annotated Anodyne Oc1ccc(C2=c3ccc4n3[C@H](C=CC=4)[C@@H]2CCc2ccccc2)cc1 ZINC000026481779 EH Annotated Anodyne Oc1ccc(C2=c3ccc4n3[C@@H](C=CC=4)[C@H]2CCc2ccccc2)cc1 ZINC000026481786 EH Annotated Anodyne Oc1ccc(C2=c3ccc4n3[C@H](C=CC=4)[C@H]2CCc2ccccc2)cc1 ZINC000026481793 EH Annotated Anodyne CCC(CO)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026485950 EH Annotated Bother C[C@@H](O)CNCCNCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026486688 EH Annotated Bother C[C@H](O)CNCCNCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026486694 EH Annotated Bother COc1cc2c(cc1O)CCCCc1cc(OC)c(OC)c(OC)c1-2 ZINC000026487311 EH Annotated Anodyne CCc1cc(CCCOc2c(C)cc(-c3ncon3)cc2C)on1 ZINC000026489874 EH Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-c3noc(S)n3)cc2C)on1 ZINC000026492317 EH Annotated Anodyne O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2 ZINC000026492645 EH Annotated Anodyne O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2 ZINC000026492648 EH Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-c3nnc(C)o3)cc2C)on1 ZINC000026493838 EH Annotated Anodyne COc1cc2c(cc1O)CCCc1cc(OC)c(OC)c(OC)c1-2 ZINC000026495107 EH Annotated Anodyne CCc1nc(CC)n2nc(-c3ccccc3)c(Br)c2n1 ZINC000026497121 EH Annotated Anodyne CNc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 ZINC000026498229 EH Annotated Anodyne CCc1c(C)sc2nc(=S)n(CCCn3cnc(C)c3)c(O)c12 ZINC000261075883 EH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(F)F)c2cn1)c1ccccc1 ZINC000261098271 EH Annotated Anodyne CN1C[C@](O)(c2ccc(-c3cccs3)cc2)O[C@@H]2CCCC[C@H]21 ZINC000261139939 EH Annotated Anodyne CN1C[C@](O)(c2ccc(-c3cccs3)cc2)O[C@H]2CCCC[C@H]21 ZINC000261139941 EH Annotated Anodyne CCc1c(C)sc2nc(=S)n(CCCn3ccnc3)c(O)c12 ZINC000261140438 EH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCC3)c2cn1)c1ccccn1 ZINC000261145857 EH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2cn1)c1ccc(F)cc1 ZINC000261153736 EH Annotated Anodyne Cc1cc(Oc2ncc(F)cc2C)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000261153835 EH Annotated Anodyne COc1cccc([C@@H]2CC[C@H](NCCOc3ccccn3)CC2)c1 ZINC000261157139 EH Annotated Anodyne O[C@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCCC[C@H]2CO1 ZINC000261161834 EH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(C)(F)F)c2cn1)c1ccccc1 ZINC000261187618 EH Annotated Anodyne CC(C)[C@@H]1NN=C2C(C(F)(F)F)=CC=CN2/C1=N\Cc1ccccc1 ZINC000263590408 EH Annotated Mild CC(C)[C@H]1NN=C2C(C(F)(F)F)=CC=CN2/C1=N\Cc1ccccc1 ZINC000263590409 EH Annotated Mild Cc1ccc(-c2cc(C(=O)NN=C/C=C/c3ccco3)[nH]n2)cc1C ZINC000263590429 EH Annotated Reactive CCCCCCCCN1CN2Cc3ccccc3[C@H]2CS1(=O)=O ZINC000263590464 EH Annotated Mild Cc1ccc(-c2cc(C(=O)NN=Cc3sccc3C)[nH]n2)cc1C ZINC000263590475 EH Annotated Reactive C[C@H]1[C@H]2C[C@H](OC(=O)NCc3ccccc3)[C@@H](C2)[C@H]2CCCCN12 ZINC000263590677 EH Annotated Anodyne C[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccc(C#N)cc3)[C@@H](C2)[C@H]2CCCCN12 ZINC000263590687 EH Annotated Mild COc1ccccc1NC(=O)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2C ZINC000263590723 EH Annotated Anodyne C1=CC=C2NCCCCN=C3C=CC=CC=C3NCCCCN=C2C=C1 ZINC000263590886 EH Annotated Clean CC(=NNC(=S)N1CCCCCC1)c1cccc2cccnc12 ZINC000263591178 EH Annotated Mild c1ccc(CN2CC[C@H]3C[C@H]2c2cc(N4CCOCC4)ccc23)cc1 ZINC000263591238 EH Annotated Anodyne C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)C[C@H]3O[C@@]312 ZINC000263591566 EH Annotated Mild C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@]3(C)C[C@@H]3O[C@@]312 ZINC000263591567 EH Annotated Mild C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@]3(C)C[C@H]3O[C@@]312 ZINC000263591568 EH Annotated Mild C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)C[C@@H]3O[C@@]312 ZINC000263591569 EH Annotated Mild CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@@H]2c3ccccc3C[C@H]21 ZINC000263591863 EH Annotated Anodyne COCCN=c1scc(-c2cccs2)n1/N=C(\C)c1ccco1 ZINC000263592069 EH Annotated Mild O=C(N=C1c2ccccc2CN1c1ccc(F)c(F)c1)c1cccnc1 ZINC000263592070 EH Annotated Mild CCN=c1scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1 ZINC000263592075 EH Annotated Mild CN=c1scc(-c2ccccc2F)n1/N=C(\C)c1cccnc1 ZINC000263592079 EH Annotated Mild C#CCn1c(=NC(=O)c2cccs2)sc2cccc(OCC)c21 ZINC000263592113 EH Annotated Mild C=CCN=c1scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1 ZINC000263592210 EH Annotated Mild CC(C)CC(=NNC(=O)c1ccncc1)c1cc(Cl)ccc1O ZINC000263606949 EH Annotated Reactive CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl ZINC000263621060 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@@]12C ZINC000263637074 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@]12C ZINC000263637075 EH Annotated Anodyne C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H](OC(=O)/C=C/CS)[C@H]2C ZINC000263638572 EH Annotated Mild C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H](OC(=O)/C=C/CS)[C@@H]2C ZINC000263638573 EH Annotated Mild C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H](OC(=O)/C=C\CS)[C@@H]2C ZINC000263638574 EH Annotated Mild C=C(C)[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H](OC(=O)/C=C\CS)[C@H]2C ZINC000263638575 EH Annotated Mild C=CCNC(=O)c1cnc2c(cnn2CCCCC)c1NCCCC ZINC000026569491 EH Annotated Mild Cc1n[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)OC(C)(C)C ZINC000026572946 EH Annotated Reactive Cc1n[nH]c2c(O)cc3c(c12)[C@@H](CCl)CN3C(=O)OC(C)(C)C ZINC000026572949 EH Annotated Reactive CC(=O)O[C@@]12C=C[C@@]3(OC(C)=O)c4ccccc4[C@H]3[C@@H]1c1ccccc12 ZINC000026576639 EH Annotated Anodyne Clc1ccc([C@@H]2N=C(N3CCOCC3)Cc3ccccc32)cc1 ZINC000026576964 EH Annotated Anodyne Clc1ccc([C@H]2N=C(N3CCOCC3)Cc3ccccc32)cc1 ZINC000026576965 EH Annotated Anodyne C[C@@H](Cl)C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000026577023 EH Annotated Reactive C[C@H](Cl)C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000026577024 EH Annotated Reactive C[C@@H](Cl)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000026577025 EH Annotated Reactive C[C@H](Cl)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000026577026 EH Annotated Reactive Cn1c2ccccc2c2nn(CCO)c3cc4c(c1c23)C=CC(C)(C)O4 ZINC000026577295 EH Annotated Bother Cn1cnc2c3c(ccc21)ncc1c(O)n(-c2ccc(Cl)cc2)nc13 ZINC000026578347 EH Annotated Bother Cn1ncc2ccc3ncc4c(O)n(-c5ccc(Cl)cc5)nc4c3c21 ZINC000026578535 EH Annotated Bother CN(C)CCOc1nccc(-c2ccc(-c3cccs3)s2)n1 ZINC000026580202 EH Annotated Anodyne Cn1cc2ccc3ncc4c(O)n(-c5ccc(Cl)cc5)nc4c3c2n1 ZINC000026580235 EH Annotated Bother Cn1cc2c(ccc3ncc4c(O)n(-c5ccc(Cl)cc5)nc4c32)n1 ZINC000026580236 EH Annotated Bother CC1(C)C(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000026643555 EH Annotated Mild COC(=O)c1ccc2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2c1 ZINC000026646489 EH Annotated Anodyne CCCCn1nc2c3ccccc3n(Cc3cccc(N)c3)cc-2c1=O ZINC000026648541 EH Annotated Anodyne COC(=O)c1c[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 ZINC000026657960 EH Annotated Anodyne Cc1ccc2cc(C(C)C)c(=O)oc(=O)c2c1CCC(=O)C(C)C ZINC000026661662 EH Annotated Anodyne CCOC1(CCN(C)C(C)=O)c2ccccc2CCc2ccccc21 ZINC000026661754 EH Annotated Anodyne O=C(c1ccccc1)N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1 ZINC000026662438 EH Annotated Anodyne O=C(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1 ZINC000026662443 EH Annotated Anodyne COC(=O)c1c(C(=O)c2ccccc2Cc2ccccc2)c[nH]c1C ZINC000026662899 EH Annotated Anodyne N#Cc1c(-c2cccc([N+](=O)[O-])c2)c2c([nH]c1=O)-c1ccccc1CC2 ZINC000026666064 EH Annotated Mild CCNC(=O)CO[C@@H]1CC(c2ccccc2)=Nc2cccc(CC)c21 ZINC000026666534 EH Annotated Anodyne CCNC(=O)CO[C@H]1CC(c2ccccc2)=Nc2cccc(CC)c21 ZINC000026666539 EH Annotated Anodyne COc1cc2c(cc1OC)C(C(=O)c1ccccc1Cl)=NCC2 ZINC000026669751 EH Annotated Anodyne N#Cc1ccc(/N=C(\N)NC(c2ccccc2)c2ccccc2)cc1 ZINC000026669877 EH Annotated Mild N#Cc1c(N)nc2c(c1-c1cccc([N+](=O)[O-])c1)CCc1ccccc1-2 ZINC000026672520 EH Annotated Mild COc1cc2c(cc1OC)C(C(=O)c1ccc(Cl)cc1)=NCC2 ZINC000026674006 EH Annotated Anodyne CCSCCn1/c(=N/O)sc2cc(OC(F)(F)F)ccc21 ZINC000026675051 EH Annotated Anodyne CCN(CC)CC[C@@H]1COC(c2ccccc2)(c2ccccc2)[C@@H]1O ZINC000026716922 EH Annotated Anodyne CCN(CC)CC[C@H]1COC(c2ccccc2)(c2ccccc2)[C@@H]1O ZINC000026718652 EH Annotated Anodyne CCN(CC)CC[C@@H]1COC(c2ccccc2)(c2ccccc2)C1=O ZINC000026724562 EH Annotated Anodyne CCN(CC)CC[C@H]1COC(c2ccccc2)(c2ccccc2)C1=O ZINC000026724571 EH Annotated Anodyne FC(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 ZINC000026726724 EH Annotated Anodyne O=c1[nH]c2cc(Cl)c(-n3cccc3)cc2n(C2CCCCC2)c1=O ZINC000026729553 EH Annotated Anodyne CC[C@@H](c1ccccc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000026729907 EH Annotated Anodyne CC[C@H](c1ccccc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000026729912 EH Annotated Anodyne CC(C)c1c(-c2ccncc2)[nH]c2ccc(C3=NNC(=O)CC3)cc12 ZINC000026735260 EH Annotated Anodyne CN1C/C(=C\c2cccs2)C2=NN(C)[C@H](c3cccs3)[C@H]2C1 ZINC000026742612 EH Annotated Anodyne CN1C/C(=C\c2cccs2)C2=NN(C)[C@H](c3cccs3)[C@@H]2C1 ZINC000026742616 EH Annotated Anodyne CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)nc1N ZINC000026752891 EH Annotated Anodyne CCc1ccsc1S(=O)(=O)/N=C(\O)Nc1ccc(Cl)cc1 ZINC000026819930 EH Annotated Mild CC1(C)Oc2ccc(C3CCCC3)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000026820109 EH Annotated Anodyne CC1(C)Oc2ccc(C3CCCC3)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000026820114 EH Annotated Anodyne C[C@@H]1CC[C@@H]2CC(=O)O[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@]32O4 ZINC000026825391 EH Annotated Anodyne C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23O4 ZINC000026825396 EH Annotated Anodyne C[C@@H]1CC[C@@H]2CC(=O)O[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23O4 ZINC000026825401 EH Annotated Anodyne C[C@@H]1CC[C@H]2CC(=O)O[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23O4 ZINC000026825406 EH Annotated Anodyne Cc1ccc2n(c1)cc(-c1ccc(/C=N/Nc3nccs3)cc1)[n+]2C ZINC000026826147 EH Annotated Mild Cc1ccc2n(c1)cc(-c1ccc(/C=N/Nc3ccccn3)cc1)[n+]2C ZINC000026826423 EH Annotated Mild N#CN/C(=N\CCCCCCOc1ccccc1)Nc1cccnc1 ZINC000026833874 EH Annotated Mild CCN(CC)CCN[C@H]1c2cc(Cl)ccc2OCc2ncccc21 ZINC000026838647 EH Annotated Anodyne CCN(CC)CCN[C@@H]1c2cc(Cl)ccc2OCc2ncccc21 ZINC000026838650 EH Annotated Anodyne CCOC(=O)c1c(SC)c(C#N)c(-c2ccc(Cl)cc2)oc1=O ZINC000026841317 EH Annotated Mild Cc1c(CC(C)C)c(=O)on1C(=O)N1CCC(c2ccccc2)CC1 ZINC000026845960 EH Annotated Anodyne C[n+]1c2ccccc2c(Nc2ccc(C(N)=O)cc2)c2ccccc21 ZINC000026937599 EH Annotated Clean CC(C)=CCN1Cc2cc(Cl)cc3nc(NC#N)n(c23)C[C@H]1C ZINC000026960739 EH Annotated Anodyne O=C1O/C(=C/I)C[C@H]1C/C=C/c1ccccc1 ZINC000026991293 EH Annotated Anodyne O=C1O/C(=C/I)C[C@@H]1C/C=C/c1ccccc1 ZINC000026991297 EH Annotated Anodyne CCNC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1 ZINC000027080512 EH Annotated Anodyne CCN(CC)CCCN1CC/C(=C\c2ccc(OC)c(OC)c2)C1 ZINC000027083308 EH Annotated Anodyne C[n+]1cccc(C(=O)OCCCCCCn2ccc3ccccc32)c1 ZINC000027090945 EH Annotated Anodyne COC(=O)c1cccc(/C(S)=N/C[C@@]2(C)C[C@H](O)CC(C)(C)C2)c1 ZINC000027091722 EH Annotated Mild CC1(C)C[C@@H](O)C[C@](C)(C/N=C(\S)c2cccc([N+](=O)[O-])c2)C1 ZINC000027091725 EH Annotated Mild O=C1CC2(CCCCC2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094794 EH Annotated Anodyne O=C1C[C@H](c2ccccc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094802 EH Annotated Anodyne O=C1C[C@@H](c2ccccc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094808 EH Annotated Anodyne CN(C)CCN=C1c2ccccc2[C@@H]2[C@@H](c3ccccc31)C2(F)F ZINC000027096950 EH Annotated Mild CN(C)CCN=C1c2ccccc2[C@@H]2[C@H](c3ccccc31)C2(F)F ZINC000027096956 EH Annotated Mild CN(C)CCN=C1c2ccccc2[C@H]2[C@H](c3ccccc31)C2(F)F ZINC000027096970 EH Annotated Mild CN(/C(S)=N/N=C/c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000027099769 EH Annotated Mild CCN(CC)CCn1nc2c3ccccc3n(C)c3c(N)ccc1c23 ZINC000027102333 EH Annotated Bother O=C1CC2(CCCC2)C(=O)N1OCc1ccc(Cl)cc1Cl ZINC000027103909 EH Annotated Anodyne Cc1[nH]c(=O)c(C(=O)c2ccccc2)c2c1C[C@H](c1ccncc1)CC2 ZINC000027108269 EH Annotated Anodyne Cc1[nH]c(=O)c(C(=O)c2ccccc2)c2c1C[C@@H](c1ccncc1)CC2 ZINC000027108272 EH Annotated Anodyne COc1ccc2cc3c4c(cc(OC)cc4c2c1)C(=O)N3CCC=O ZINC000027108639 EH Annotated Mild Cc1nc2c([nH]1)C(O)=C(Cl)/C(=N\c1ccc(F)c(F)c1F)C2=O ZINC000027108761 EH Annotated Mild C=CCSc1nc2c(c(-c3ccsc3)c1C#N)CN(C)CC2 ZINC000027112904 EH Annotated Mild CN(C(=O)[C@H]1Cc2c(sc3ccccc23)CN1)C1CCCCC1 ZINC000027179859 EH Annotated Anodyne COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)c[nH]2)cc1OC ZINC000027181138 EH Annotated Anodyne O=C1CCc2cc(-c3csc(-c4ccc(O)c(O)c4)n3)ccc2N1 ZINC000027185670 EH Annotated Clean COc1ccc2c(c1)Cc1c-2nc2cc(OC)c(OC)c3c2c1CCN3 ZINC000027190877 EH Annotated Anodyne COc1cc2nc3c(c4c2c(c1OC)NCC4)CCc1cc(O)ccc1-3 ZINC000027192529 EH Annotated Anodyne O=C1/C(=C/c2ccc([N+](=O)[O-])o2)Oc2ccc(Br)cc21 ZINC000027192615 EH Annotated Mild CC1(C)CN(C(=O)CCl)c2cc(Br)ccc2S1 ZINC000027195292 EH Annotated Reactive CC(C)Oc1c(-c2ccccc2)oc2c(CC(=O)O)cccc2c1=O ZINC000027197847 EH Annotated Anodyne CCCCc1nc(C2=NO[C@@H](C(=O)Oc3ccccc3)C2)c(Cl)[nH]1 ZINC000027197959 EH Annotated Anodyne CCCCc1nc(Cl)c(C2=NO[C@H](C(=O)Oc3ccccc3)C2)[nH]1 ZINC000027197965 EH Annotated Anodyne CCc1ccc(OC(C)=O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1 ZINC000027199961 EH Annotated Mild CCCCc1nc2[nH]ncc2c2nc(-c3ccc(CCC)cc3)nn12 ZINC000027209696 EH Annotated Anodyne CC(=O)OCCCCc1ccc2c(c1)C(=O)c1sccc1CO2 ZINC000027210138 EH Annotated Anodyne CCOC(=O)CCCc1ccc2c(c1)C(=O)c1sccc1CO2 ZINC000027210142 EH Annotated Anodyne CC1(C)COC(Cc2ccc3c(c2)C(=O)c2sccc2CO3)=N1 ZINC000027210262 EH Annotated Anodyne CCCCc1nc2[nH]ncc2c2nc(-c3cccc(Cl)c3)nn12 ZINC000027210614 EH Annotated Anodyne CCCCc1nc2[nH]ncc2c2nc(-c3ccccc3Cl)nn12 ZINC000027210618 EH Annotated Anodyne O=C(NNc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000027212114 EH Annotated Reactive O=C1CN2Cc3c(sc4c3CCC[C@H]4Cc3ccccc3)NC2=N1 ZINC000027212720 EH Annotated Anodyne Nc1nc2nc(C3CC3)ncc2cc1-c1ccccc1Br ZINC000027301508 EH Annotated Anodyne C[C@@H](N/N=C(\S)N1CCC(c2ccccc2)CC1)c1ccccn1 ZINC000027303324 EH Annotated Mild C[C@H](N/N=C(\S)N1CCC(c2ccccc2)CC1)c1ccccn1 ZINC000027303329 EH Annotated Mild Cc1ncc2cc(-c3cccc(Br)c3C)c(N)nc2n1 ZINC000027303855 EH Annotated Anodyne COc1ccccc1-c1ncn2c1c(=O)n(C(C)C)c1ccccc12 ZINC000027303892 EH Annotated Anodyne Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2F)on1 ZINC000027304828 EH Annotated Anodyne CCCCN(C(=O)C1=COc2ccc(O)cc2O1)c1ccccc1 ZINC000027307709 EH Annotated Anodyne CCCCN(C(=O)C1=COc2cc(O)ccc2O1)c1ccccc1 ZINC000027307716 EH Annotated Anodyne Oc1n[nH]c(C(F)(F)F)c1Cc1ccc(OC(F)(F)F)cc1 ZINC000027307769 EH Annotated Anodyne CCN1CCN(C(C)C)[C@@H]2CCn3c(c(C)c4cc(OC)ccc43)[C@@H]21 ZINC000027309161 EH Annotated Anodyne CC(C)(C)C(=O)c1ccc(Cc2c(O)n[nH]c2C(F)(F)F)cc1 ZINC000027311654 EH Annotated Anodyne CN1C(=O)CC[C@]2(C)c3ccc(C#Cc4ccccc4)cc3CC[C@@H]12 ZINC000027316481 EH Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000027319413 EH Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000027324420 EH Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000027327393 EH Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000027327860 EH Annotated Mild CC(C)(C)c1cc(Br)c2c(c1)C(=O)[C@H](n1ccnc1)CO2 ZINC000027329984 EH Annotated Anodyne CC(C)(C)c1cc(Br)c2c(c1)C(=O)[C@@H](n1ccnc1)CO2 ZINC000027329988 EH Annotated Anodyne COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000027330126 EH Annotated Mild CCCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)cc1 ZINC000027422025 EH Annotated Mild CCCc1cc(CCC)n2nc(SCc3cccnc3)nc2n1 ZINC000027423054 EH Annotated Anodyne CCCc1cc(CCC)n2nc(SCc3ccncc3)nc2n1 ZINC000027425019 EH Annotated Anodyne CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@@H]1O ZINC000027425718 EH Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@@H]1O ZINC000027425722 EH Annotated Anodyne Cc1cc(N2CCCCC2)n2nc(SCc3ccccc3)nc2n1 ZINC000027427434 EH Annotated Anodyne CCCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 ZINC000027428744 EH Annotated Mild CCN(CC)c1cc(C)nc2nc(SCc3ccccc3)nn12 ZINC000027430441 EH Annotated Anodyne N#CCc1c(C(F)(F)F)nc2c(OCc3ccccc3)cccn12 ZINC000027430877 EH Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(N)cc1)O2 ZINC000027434096 EH Annotated Clean Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc(N)cc1)O2 ZINC000027434101 EH Annotated Clean COc1ccc2c(c1)/C(=C/N(C)C)C(=O)N2c1cccc(Cl)c1 ZINC000027437293 EH Annotated Anodyne CCOC1(OCC)C(C)(C)[C@H]2c3ccccc3[C@]1(C)c1cccc[n+]12 ZINC000027442948 EH Annotated Anodyne CCOC1(OCC)[C@H]2c3c(O)cccc3[C@H]([n+]3ccccc32)C1(C)C ZINC000027517563 EH Annotated Anodyne CCOC1(OCC)[C@@H]2c3c(O)cccc3[C@@H]([n+]3ccccc32)C1(C)C ZINC000027517564 EH Annotated Anodyne O=C1/C(=C\N2CCOCC2)c2ccccc2N1c1cccc(Cl)c1 ZINC000027518327 EH Annotated Anodyne CC(C)C[C@@](CCN1[C@@H](C)CCC[C@@H]1C)(C(N)=O)c1ccccn1 ZINC000027521068 EH Annotated Anodyne CC(C)N(CC[C@@](CC(C)(C)C)(C(N)=O)c1ccccn1)C(C)C ZINC000027521077 EH Annotated Anodyne CC(C)N(CC[C@](CC(C)(C)C)(C(N)=O)c1ccccn1)C(C)C ZINC000027521079 EH Annotated Anodyne O=C1CC[C@]2(c3ccccc3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027521468 EH Annotated Anodyne CN(CCO/N=C1\c2sccc2-n2cccc21)Cc1ccccc1 ZINC000027522186 EH Annotated Mild O=c1c2cccc3c2c(nn1-c1ccccc1[N+](=O)[O-])-c1ccccc1-3 ZINC000027523000 EH Annotated Bother COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)c([N+](=O)[O-])cc3C=C[C@@H]12 ZINC000027524396 EH Annotated Bother Cc1nc2c(s1)C(=O)C=C(Nc1ccc(Br)cc1)C2=O ZINC000027525391 EH Annotated Mild COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCl)c2c1 ZINC000027526672 EH Annotated Reactive CN(C)CCCn1[nH]c2c3ccccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027526954 EH Annotated Bother CC[N+](CC)(COC(=O)C(C)(C)C)CC(=O)Nc1c(C)cccc1C ZINC000027527038 EH Annotated Mild C[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1)CCOCc1ccccc1 ZINC000027546599 EH Annotated Anodyne CN[C@H]1c2cc(OC)ccc2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1O ZINC000027552011 EH Annotated Anodyne N/C(=N\c1nc(-c2ccccn2)cc2ccccc12)c1ccncc1 ZINC000027553089 EH Annotated Mild CC1(C)C=Cc2c(ccc3c(=O)c4cccc(CC(=O)O)c4oc23)O1 ZINC000027554519 EH Annotated Bother CO[C@]1(C)C[C@@H](c2ccccc2)c2c(c3cc(O)ccc3oc2=O)O1 ZINC000027555400 EH Annotated Anodyne C=CCOc1ccc2c(=O)c3cccc(CC(=O)OC)c3oc2c1C ZINC000027555846 EH Annotated Mild CC1(C)C=C(n2ccc3ccccc3c2=O)c2cc(C#N)ccc2O1 ZINC000027556145 EH Annotated Mild Cc1c(N2CCC(C)CC2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027556159 EH Annotated Anodyne CO[C@]1(C)C[C@@H](c2ccccc2)c2c(c3cccc(O)c3oc2=O)O1 ZINC000027556526 EH Annotated Anodyne C[C@@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027556580 EH Annotated Anodyne C[C@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027556582 EH Annotated Anodyne C[C@@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027556584 EH Annotated Anodyne C[C@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027556586 EH Annotated Anodyne CO[C@]1(C)C[C@H](c2ccccc2)c2c(c3cccc(O)c3oc2=O)O1 ZINC000027556934 EH Annotated Anodyne CCCO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027557448 EH Annotated Anodyne CCCO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027557450 EH Annotated Anodyne CO[C@@]1(C)C[C@H](c2ccccc2)c2c(c3cc(O)ccc3oc2=O)O1 ZINC000027558083 EH Annotated Anodyne CO[C@]1(C)C[C@H](c2ccccc2)c2c(c3cc(O)ccc3oc2=O)O1 ZINC000027558085 EH Annotated Anodyne CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(c3cc(O)ccc3oc2=O)O1 ZINC000027558226 EH Annotated Anodyne CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccncc2)/C1=C(\O)OC1CCCC1 ZINC000027558751 EH Annotated Anodyne CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccncc2)/C1=C(\O)OC1CCCC1 ZINC000027558753 EH Annotated Anodyne O=c1ccccn1C1=CC2(CCCCC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000027558815 EH Annotated Bother CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(c3cccc(O)c3oc2=O)O1 ZINC000027559076 EH Annotated Anodyne COc1cc2c(cc1OCC(C)C)CCN=C2C(=O)c1ccccc1 ZINC000027559948 EH Annotated Anodyne CO[C@@]1(C)C[C@H](c2ccccc2)c2c(c3cccc(O)c3oc2=O)O1 ZINC000027560931 EH Annotated Anodyne C/C=C/COc1cc2c(cc1OC)C(C(=O)c1ccccc1)=NCC2 ZINC000027561432 EH Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000027563558 EH Annotated Bother Cc1cc(C)nc(N(CCCN(C(C)C)C(C)C)C(=O)N(C)C)c1 ZINC000027622694 EH Annotated Anodyne Cc1cc(Cl)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1 ZINC000027624205 EH Annotated Anodyne CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(F)ccc2[C@@H]1C ZINC000027627504 EH Annotated Anodyne CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(F)ccc2[C@H]1C ZINC000027627510 EH Annotated Anodyne Cc1ccc(CN/C(N)=N\c2nc(-c3c[nH]c(C)c3)c(C)s2)cc1 ZINC000027631601 EH Annotated Mild Cc1cc(-c2csc(/N=C(\N)NCc3ccc(Cl)cc3)n2)c[nH]1 ZINC000027634111 EH Annotated Mild CCCCC[C@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000027641024 EH Annotated Anodyne C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H]1C[C@@](C)([C@@H]3CO3)C[C@@H]3O[C@]132 ZINC000027645602 EH Annotated Anodyne C[C@@]1([C@H]2CO2)C[C@@H]2CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@]23O[C@H]3C1 ZINC000027645608 EH Annotated Anodyne C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@H]1C[C@@](C)([C@@H]3CO3)C[C@@H]3O[C@@]312 ZINC000027645615 EH Annotated Anodyne C[C@]1([C@H]2CO2)C[C@@H]2O[C@]23[C@H](CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]23C)C1 ZINC000027645620 EH Annotated Anodyne Cc1nc(NCCc2cccc(N3CCCCC3)c2)c2cc[nH]c2n1 ZINC000027649896 EH Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4ccccc4o1)C3=CC2=O ZINC000027654135 EH Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4ccccc4o1)C3=CC2=O ZINC000027654139 EH Annotated Mild CC[C@@H](c1ccc(CO)c(O)c1)[C@@H](CC)c1ccc(CO)c(O)c1 ZINC000027654269 EH Annotated Anodyne CC[C@H](c1ccc(CO)c(O)c1)[C@H](CC)c1ccc(CO)c(O)c1 ZINC000027654273 EH Annotated Anodyne CC1=NN(CCOc2ccc3c(c2)Nc2ccccc2S3)C(=O)C1 ZINC000027656818 EH Annotated Anodyne NCCCCN(Cc1ccccc1)Cc1ccc(Br)o1 ZINC000027708679 EH Annotated Anodyne C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1\CN2CC[C@@H]1C2 ZINC000027710943 EH Annotated Mild C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1\CN2CC[C@H]1C2 ZINC000027710948 EH Annotated Mild CC1=C(C(=O)Nc2c(C)cc(C)cc2C)SC2=NC(C)(C)CN21 ZINC000027713863 EH Annotated Anodyne C/C(C#Cc1ccc(Cl)c(Cl)c1)=C/CO/N=C1\CN2CC[C@@H]1C2 ZINC000027720109 EH Annotated Mild C/C(C#Cc1ccc(Cl)c(Cl)c1)=C/CO/N=C1\CN2CC[C@H]1C2 ZINC000027720115 EH Annotated Mild C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1/CN2CC[C@@H]1C2 ZINC000027720736 EH Annotated Mild C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1/CN2CC[C@H]1C2 ZINC000027720742 EH Annotated Mild C/C(C#Cc1ccc(Cl)c(Cl)c1)=C/CO/N=C1/CN2CC[C@@H]1C2 ZINC000027720747 EH Annotated Mild C/C(C#Cc1ccc(Cl)c(Cl)c1)=C/CO/N=C1/CN2CC[C@H]1C2 ZINC000027720754 EH Annotated Mild C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C ZINC000027729566 EH Annotated Anodyne CSc1nc2c(N(C)CCCN(C)C)c3ccccc3nc2s1 ZINC000027738323 EH Annotated Anodyne CCCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1 ZINC000027738903 EH Annotated Anodyne CCCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1 ZINC000027738909 EH Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(-c3ncccn3)c2cc1Cl ZINC000027754890 EH Annotated Anodyne CN(C)c1ccc(/N=C(\N)N2Cc3cccc4c3[C@@H](CCC4)C2)cc1 ZINC000027757676 EH Annotated Mild CN(C)c1ccc(/N=C(\N)N2Cc3cccc4c3[C@H](CCC4)C2)cc1 ZINC000027757687 EH Annotated Mild C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2cccc(O)c2)C1 ZINC000027848638 EH Annotated Mild C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2cccc(O)c2)C1 ZINC000027848645 EH Annotated Mild CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(C(N)=O)cc1 ZINC000027867398 EH Annotated Anodyne CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O ZINC000027867551 EH Annotated Anodyne CC(C)N(CCN[C@H]1c2ccccc2OCc2ncccc21)C(C)C ZINC000027868606 EH Annotated Anodyne CC(C)N(CCN[C@@H]1c2ccccc2OCc2ncccc21)C(C)C ZINC000027868610 EH Annotated Anodyne CCN(CC)CCN[C@H]1c2ccccc2SCc2ncccc21 ZINC000027869830 EH Annotated Anodyne CCN(CC)CCN[C@@H]1c2ccccc2SCc2ncccc21 ZINC000027869835 EH Annotated Anodyne C[C@H]1CC[C@@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 ZINC000027869936 EH Annotated Anodyne C[C@H]1CC[C@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 ZINC000027869944 EH Annotated Anodyne C[C@H]1CC[C@@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000027869951 EH Annotated Anodyne C[C@H]1CC[C@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000027869957 EH Annotated Anodyne C[N+](C)(C)CCO[P@](=O)(O)OCCCCC=C1CCCCC1 ZINC000027870372 EH Annotated Bother C=CC[C@@H]1CN(CC=C)CC[C@@]1(OC(=O)CC)c1cccc(OC)c1 ZINC000027871953 EH Annotated Mild O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)C=C[C@@H](O)[C@H]4O ZINC000027872921 EH Annotated Bother O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)C=C[C@H](O)[C@@H]4O ZINC000027872932 EH Annotated Bother CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2 ZINC000027873595 EH Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2 ZINC000027873602 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@H]2C(=O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000027876509 EH Annotated Anodyne O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@H](O)[C@H](O)C=C4 ZINC000027876513 EH Annotated Bother O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@@H](O)[C@@H](O)C=C4 ZINC000027876527 EH Annotated Bother N#Cc1ccccc1Cn1nc(-c2ccc(CO)o2)c2ccccc21 ZINC000027876693 EH Annotated Mild N#Cc1cccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)c1 ZINC000027877618 EH Annotated Mild CC(C)=CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027882069 EH Annotated Anodyne CC(C)=CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027882075 EH Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027882080 EH Annotated Anodyne CC(C)=CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027882083 EH Annotated Anodyne CCN(CC)CCN(CC)[C@H]1c2ccccc2OCc2ncccc21 ZINC000027882840 EH Annotated Anodyne CCN(CC)CCN(CC)[C@@H]1c2ccccc2OCc2ncccc21 ZINC000027882847 EH Annotated Anodyne CC(C)[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 ZINC000027883394 EH Annotated Anodyne C[C@@H]1CC[C@@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 ZINC000027883607 EH Annotated Anodyne CC(C)=CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027884827 EH Annotated Mild CC(C)=CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027884833 EH Annotated Mild CC(C)=CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027884840 EH Annotated Mild CC(C)=CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027884848 EH Annotated Mild CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027885835 EH Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027885841 EH Annotated Anodyne Cc1cc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)c(C)[nH]1 ZINC000027885908 EH Annotated Anodyne CC(C)CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027886396 EH Annotated Anodyne CC(C)CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027886402 EH Annotated Anodyne CC(C)CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027886410 EH Annotated Anodyne CC(C)CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 ZINC000027886415 EH Annotated Anodyne CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O ZINC000027886857 EH Annotated Anodyne CC(C)CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@@H](CCO)CC[C@H]1O ZINC000027887217 EH Annotated Anodyne CC(C)CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@@H](CCO)CC[C@H]1O ZINC000027887225 EH Annotated Anodyne CC(C)CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@H](CCO)CC[C@H]1O ZINC000027887232 EH Annotated Anodyne CC(C)CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@H](CCO)CC[C@H]1O ZINC000027887239 EH Annotated Anodyne CC(C)CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027888602 EH Annotated Mild CC(C)CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027888609 EH Annotated Mild CC(C)CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027888615 EH Annotated Mild CC(C)CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CC=O)CC[C@H]1O2 ZINC000027888620 EH Annotated Mild O=CN1CCC(Sc2c[nH]c3ccc(Br)cc23)CC1 ZINC000027889320 EH Annotated Anodyne Cc1ccc(C(=O)CCCOc2ccc(C3=NCCO3)cc2)s1 ZINC000027890501 EH Annotated Anodyne CSc1ccc(C(=O)c2c(Cl)cc3n2CC[C@@H]3C(=O)O)cc1 ZINC000027893172 EH Annotated Anodyne CSc1ccc(C(=O)c2c(Cl)cc3n2CC[C@H]3C(=O)O)cc1 ZINC000027893179 EH Annotated Anodyne CCC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 ZINC000027895896 EH Annotated Anodyne C[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027898441 EH Annotated Mild C[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027898448 EH Annotated Mild C=C1O[C@@H](OC)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000027898563 EH Annotated Mild C=C1O[C@H](OC)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000027898569 EH Annotated Mild C=C1O[C@@H](OC)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12 ZINC000027898574 EH Annotated Mild C=C1O[C@H](OC)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12 ZINC000027898580 EH Annotated Mild CCN[C@@H](c1ccc(OC)cc1)[C@H](NCC)c1ccc(OC)cc1 ZINC000027898597 EH Annotated Anodyne CCN[C@@H](c1ccc(OC)cc1)[C@@H](NCC)c1ccc(OC)cc1 ZINC000027898603 EH Annotated Anodyne CCN[C@H](c1ccc(OC)cc1)[C@H](NCC)c1ccc(OC)cc1 ZINC000027898609 EH Annotated Anodyne CCC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cccc(O)c45)C(=O)C1)[C@H]32 ZINC000027899610 EH Annotated Anodyne CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(C)c1C)C2 ZINC000027900581 EH Annotated Mild CCC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(C)c1C)C2 ZINC000027900586 EH Annotated Mild O=C1CCc2ccccc2C1(Cc1ccncc1)Cc1ccncc1 ZINC000027977426 EH Annotated Anodyne O=C1CCc2ccccc2C1(Cc1ccccn1)Cc1ccccn1 ZINC000027978415 EH Annotated Anodyne O=C(Oc1ccccc1)c1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000027979560 EH Annotated Mild C/C(=N\N=C(/S)N1CCC(C)CC1)c1nccc2ccccc12 ZINC000027989155 EH Annotated Mild O=C(O)[C@@H]1Cc2cc([C@@H](O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027991088 EH Annotated Anodyne O=C(O)[C@@H]1Cc2cc([C@H](O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027991092 EH Annotated Anodyne O=C(O)[C@H]1Cc2cc([C@@H](O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027991098 EH Annotated Anodyne O=C(O)[C@H]1Cc2cc([C@H](O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027991103 EH Annotated Anodyne CCc1cc2c(s1)Nc1ccc(F)cc1N=C2NCCN(C)C ZINC000027992842 EH Annotated Anodyne CC(C)(C)OC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000027994055 EH Annotated Mild CC1CCN(/C(S)=N/N[C@@H](C)c2nccc3ccccc23)CC1 ZINC000027994140 EH Annotated Mild CC1CCN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)CC1 ZINC000027994146 EH Annotated Mild C[C@@H](N/N=C(\S)N1CCCCCC1)c1nccc2ccccc12 ZINC000027994152 EH Annotated Mild C[C@H](N/N=C(\S)N1CCCCCC1)c1nccc2ccccc12 ZINC000027994159 EH Annotated Mild CC(C)(C)c1ccc(Cn2cc(C(=N)S)c3c(N)ncnc32)cc1 ZINC000027994863 EH Annotated Anodyne O=C(c1ccccc1)c1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2 ZINC000027996999 EH Annotated Anodyne O=C(c1ccccc1)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2 ZINC000027997001 EH Annotated Anodyne c1ccc(CCN2CCO[C@@H]3c4cc5c(cc4CC[C@H]32)CCO5)cc1 ZINC000028003259 EH Annotated Anodyne O=C[C@@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000028004421 EH Annotated Mild O=C[C@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000028004425 EH Annotated Mild O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@H](CO)C2 ZINC000028004430 EH Annotated Anodyne O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@@H](CO)C2 ZINC000028004435 EH Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1)N(C)c1nc2ccccc2s1 ZINC000028004483 EH Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)N(C)c1nc2ccccc2s1 ZINC000028004487 EH Annotated Anodyne O=C(c1ccc(Cl)cc1)c1cc(Cl)cc2c1OC[C@H]2C(=O)O ZINC000028005721 EH Annotated Anodyne O=C(c1ccc(Cl)cc1)c1cc(Cl)cc2c1OC[C@@H]2C(=O)O ZINC000028005724 EH Annotated Anodyne N#CC[C@@H]1[C@H](C(F)(F)F)N=C2C(OCc3ccccc3)=CC=CN21 ZINC000028005845 EH Annotated Mild N#CC[C@@H]1[C@@H](C(F)(F)F)N=C2C(OCc3ccccc3)=CC=CN21 ZINC000028005846 EH Annotated Mild N#CC[C@H]1[C@H](C(F)(F)F)N=C2C(OCc3ccccc3)=CC=CN21 ZINC000028005850 EH Annotated Mild N#CC[C@H]1[C@@H](C(F)(F)F)N=C2C(OCc3ccccc3)=CC=CN21 ZINC000028005854 EH Annotated Mild CNC(=O)N(C)[C@@H]1c2cccnc2Oc2cccc(C(F)(F)F)c21 ZINC000028006840 EH Annotated Anodyne CNC(=O)N(C)[C@H]1c2cccnc2Oc2cccc(C(F)(F)F)c21 ZINC000028006844 EH Annotated Anodyne CNC(=O)N(C)[C@@H]1c2ccc(C(F)(F)F)cc2Oc2ncccc21 ZINC000028006974 EH Annotated Anodyne CNC(=O)N(C)[C@H]1c2ccc(C(F)(F)F)cc2Oc2ncccc21 ZINC000028006979 EH Annotated Anodyne Cc1nc2nc(-c3ccc(Cl)cc3)nn2c2c1CCN2C(C)(C)C ZINC000028007236 EH Annotated Anodyne CCOC(=O)c1ccc(NCc2cc3c(cc2O)CCCO3)cc1 ZINC000028007849 EH Annotated Clean CC(=O)N1c2ccccc2S[C@H]1c1ccccc1OCCN(C)C ZINC000028009632 EH Annotated Anodyne CC(=O)N1c2ccccc2S[C@@H]1c1ccccc1OCCN(C)C ZINC000028009637 EH Annotated Anodyne COc1cc2nc3c(c4c2c(c1OC)NCC4)CCc1ccccc1-3 ZINC000028010437 EH Annotated Anodyne Cc1nc2nc(-c3ccc(Cl)cc3)nn2c2c1CCN2C(C)C ZINC000028010933 EH Annotated Anodyne Cc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1 ZINC000028011145 EH Annotated Bother CCCC/N=C(\N)Nc1nnc(-c2ccccc2C(F)(F)F)s1 ZINC000028013457 EH Annotated Mild Cc1ccccc1-c1nnc(NC(=N)NCCc2ccccc2)s1 ZINC000028014122 EH Annotated Anodyne S=C=Nc1ccc2oc(-c3ccc(CN4CCOCC4)o3)nc2c1 ZINC000028017773 EH Annotated Reactive Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NC[C@H]1CCCCN21 ZINC000028097178 EH Annotated Anodyne Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NC[C@@H]1CCCCN21 ZINC000028097184 EH Annotated Anodyne CN1CCN2c3ccc(Cl)cc3C(Cc3ccccc3)=NC[C@H]2C1 ZINC000028097315 EH Annotated Anodyne COc1cc2c3c(cn(-c4ccc(F)cc4)c3c1OC)CN(C)CC2 ZINC000028105270 EH Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)CCCC#N)c1Cc1cccc(C)c1 ZINC000028106207 EH Annotated Mild COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@H]3CN(C)CC2 ZINC000028108122 EH Annotated Clean COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@@H]3CN(C)CC2 ZINC000028108127 EH Annotated Clean CN(CCc1cccs1)c1cc(=O)n2ccc3ccccc3c2n1 ZINC000028111574 EH Annotated Bother O=C(N[C@H]1C=CC=CN1)N(CC1CCCC1)c1ccc(F)c(F)c1 ZINC000028120679 EH Annotated Anodyne O=C(N[C@@H]1C=CC=CN1)N(CC1CCCC1)c1ccc(F)c(F)c1 ZINC000028120685 EH Annotated Anodyne Cc1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2 ZINC000028127499 EH Annotated Anodyne CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(Br)c3)[C@@H]1C2 ZINC000028127985 EH Annotated Anodyne Cc1ccc2c(c1)-c1nc(N)nc([C@@H]3CC[C@@H](Br)O3)c1C2 ZINC000028128521 EH Annotated Reactive Cc1ccc2c(c1)-c1nc(N)nc([C@H]3CC[C@@H](Br)O3)c1C2 ZINC000028128528 EH Annotated Reactive Cc1ccc2c(c1)-c1nc(N)nc([C@@H]3CC[C@H](Br)O3)c1C2 ZINC000028128534 EH Annotated Reactive Cc1ccc2c(c1)-c1nc(N)nc([C@H]3CC[C@H](Br)O3)c1C2 ZINC000028128541 EH Annotated Reactive COC(=O)[C@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@@H]2CC[C@H]1N2 ZINC000028132393 EH Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@@H]2CC[C@H]1N2 ZINC000028132404 EH Annotated Anodyne CCOC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(F)cc1 ZINC000028219320 EH Annotated Anodyne CCOC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(F)cc1 ZINC000028219325 EH Annotated Anodyne CN1Cc2c(NC(=O)CCCl)cccc2[C@H](c2ccccc2)C1 ZINC000028220905 EH Annotated Reactive CN1Cc2c(NC(=O)CCCl)cccc2[C@@H](c2ccccc2)C1 ZINC000028220909 EH Annotated Reactive C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000028222804 EH Annotated Anodyne CCc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 ZINC000028224406 EH Annotated Anodyne CCc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 ZINC000028224409 EH Annotated Anodyne C=Cc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 ZINC000028225619 EH Annotated Anodyne C=Cc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 ZINC000028225623 EH Annotated Anodyne CCCc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 ZINC000028225762 EH Annotated Anodyne CCCc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 ZINC000028225765 EH Annotated Anodyne CSc1cc2n(c1C(=O)c1ccc(C3CC3)cc1)CC[C@@H]2C(=O)O ZINC000028225785 EH Annotated Anodyne CSc1cc2n(c1C(=O)c1ccc(C3CC3)cc1)CC[C@H]2C(=O)O ZINC000028225788 EH Annotated Anodyne CSc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 ZINC000028226179 EH Annotated Anodyne CSc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 ZINC000028226183 EH Annotated Anodyne CSc1cc2n(c1C(=O)c1ccc(Cl)cc1)CC[C@@H]2C(=O)O ZINC000028226187 EH Annotated Anodyne CSc1cc2n(c1C(=O)c1ccc(Cl)cc1)CC[C@H]2C(=O)O ZINC000028226191 EH Annotated Anodyne CCCc1ccc(C(=O)c2c(SC)cc(CC(=O)O)n2C)cc1 ZINC000028227708 EH Annotated Anodyne CCCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC ZINC000028228016 EH Annotated Anodyne CCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCCC2 ZINC000028228332 EH Annotated Anodyne CSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CC[C@H](C)C2 ZINC000028229672 EH Annotated Anodyne CSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CC[C@@H](C)C2 ZINC000028229677 EH Annotated Anodyne CCc1ccc2c(c1)c(OC)cc1nc(C(=O)c3ccccn3)cn12 ZINC000028231764 EH Annotated Anodyne C=CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N(C)C ZINC000028237128 EH Annotated Anodyne C=CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N(C)C ZINC000028237133 EH Annotated Anodyne C=CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)C ZINC000028237138 EH Annotated Anodyne C=CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(C)C ZINC000028237142 EH Annotated Anodyne CCC(=O)N(c1ccc(Br)cc1)[C@@H]1CCC[C@@H]1N(C)C ZINC000028242119 EH Annotated Anodyne CCC(=O)N(c1ccc(Br)cc1)[C@H]1CCC[C@@H]1N(C)C ZINC000028242126 EH Annotated Anodyne CCC(=O)N(c1ccc(Br)cc1)[C@@H]1CCC[C@H]1N(C)C ZINC000028242132 EH Annotated Anodyne CCC(=O)N(c1ccc(Br)cc1)[C@H]1CCC[C@H]1N(C)C ZINC000028242138 EH Annotated Anodyne CCC(=O)N(c1cccc(Br)c1)[C@@H]1CCC[C@@H]1N(C)C ZINC000028242275 EH Annotated Anodyne CCC(=O)N(c1cccc(Br)c1)[C@H]1CCC[C@@H]1N(C)C ZINC000028242281 EH Annotated Anodyne CCC(=O)N(c1cccc(Br)c1)[C@@H]1CCC[C@H]1N(C)C ZINC000028242290 EH Annotated Anodyne CCC(=O)N(c1cccc(Br)c1)[C@H]1CCC[C@H]1N(C)C ZINC000028242297 EH Annotated Anodyne CCCc1c(C)nc(-c2cccc(C(F)(F)F)c2)n2nc(N)nc12 ZINC000028242681 EH Annotated Anodyne Cc1cc([C@@H](c2ccc(OC(C)C)cc2)N2CCN(C)CC2)sn1 ZINC000028247158 EH Annotated Anodyne Cc1cc([C@H](c2ccc(OC(C)C)cc2)N2CCN(C)CC2)sn1 ZINC000028247165 EH Annotated Anodyne CC(C)COc1ccccc1[C@H](c1ccns1)N1CCN(C)CC1 ZINC000028249032 EH Annotated Anodyne CC(C)COc1ccccc1[C@@H](c1ccns1)N1CCN(C)CC1 ZINC000028249043 EH Annotated Anodyne Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCN(C)CC2)sn1 ZINC000028250271 EH Annotated Anodyne Cc1cc([C@H](c2ccc(C(C)C)cc2)N2CCN(C)CC2)sn1 ZINC000028250278 EH Annotated Anodyne Cc1noc(C)c1[C@@H](c1ccc(C(C)C)cc1)N1CC[N+](C)(C)CC1 ZINC000028250452 EH Annotated Bother Cc1noc(C)c1[C@H](c1ccc(C(C)C)cc1)N1CC[N+](C)(C)CC1 ZINC000028250459 EH Annotated Bother Cc1cc([C@@H](c2ccccc2C(C)C)N2CCN(C)CC2)sn1 ZINC000028252231 EH Annotated Anodyne Cc1cc([C@H](c2ccccc2C(C)C)N2CCN(C)CC2)sn1 ZINC000028252237 EH Annotated Anodyne Cc1cnsc1[C@@H](c1ccc(C(C)C)cc1)N1CCN(C)CC1 ZINC000028254587 EH Annotated Anodyne Cc1cnsc1[C@H](c1ccc(C(C)C)cc1)N1CCN(C)CC1 ZINC000028254592 EH Annotated Anodyne Cc1cc([C@@H](c2ccccc2OC(C)C)N2CCN(C)CC2)sn1 ZINC000028255591 EH Annotated Anodyne Cc1cc([C@H](c2ccccc2OC(C)C)N2CCN(C)CC2)sn1 ZINC000028255597 EH Annotated Anodyne CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(N)=O)c[nH]c1=S ZINC000028341421 EH Annotated Anodyne CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(N)=O)c[nH]c1=S ZINC000028341425 EH Annotated Anodyne CO/N=C(/C[n+]1cccc2ccccc21)c1ccc(N2CCCC2)cc1 ZINC000028343296 EH Annotated Mild COc1ccc(Oc2c(C)[nH]c3cccc(S(C)(=O)=O)c23)cc1 ZINC000028346382 EH Annotated Anodyne CSCCOc1ccc(-c2cc(SC)c(C#N)c(=O)o2)cc1 ZINC000028346752 EH Annotated Mild O=c1oc2ccc(CBr)cc2c2ccc([N+](=O)[O-])cc12 ZINC000028349253 EH Annotated Reactive CCOC(=O)c1c[nH]c(=S)n1[C@@H](CC)c1ccc(F)c(F)c1 ZINC000028355514 EH Annotated Anodyne CCOC(=O)c1c[nH]c(=S)n1[C@H](CC)c1ccc(F)c(F)c1 ZINC000028355521 EH Annotated Anodyne COc1ccc(Oc2c(C)[nH]c3cc(S(C)(=O)=O)ccc23)cc1 ZINC000028356771 EH Annotated Anodyne C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)N4O3)[C@@H]12 ZINC000028360943 EH Annotated Anodyne C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)N4O3)[C@@H]12 ZINC000028360949 EH Annotated Anodyne CCNc1nnc(-c2sc(SC)c3c2CCCC3=O)s1 ZINC000028364199 EH Annotated Anodyne Cc1c(Cl)cccc1NC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000028367774 EH Annotated Reactive CC/C=C/c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 ZINC000028368356 EH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3cccs3)C[C@H]1C=N2 ZINC000028370798 EH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccccc3)C[C@H]1C=N2 ZINC000028373698 EH Annotated Anodyne CC1=C2OC[C@@](Cl)(C(F)(F)F)c3ccc(C)c(c32)C(=O)C1=O ZINC000028374520 EH Annotated Mild CC1=C2OC[C@](Cl)(C(F)(F)F)c3ccc(C)c(c32)C(=O)C1=O ZINC000028374526 EH Annotated Mild Cc1cnnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028379923 EH Annotated Anodyne CN(C)COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)on2)cc1 ZINC000028381855 EH Annotated Bother COc1cccc2c(=O)oc(-c3ccccc3Br)nc12 ZINC000028382531 EH Annotated Anodyne Cc1ccccc1C1=[N+]([O-])c2cc(-c3cnc(N)nc3)ccc2[C@@H]1C ZINC000028383856 EH Annotated Anodyne Cc1ccccc1C1=[N+]([O-])c2cc(-c3cnc(N)nc3)ccc2[C@H]1C ZINC000028383862 EH Annotated Anodyne CCOc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028384960 EH Annotated Anodyne Fc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cc1 ZINC000028386089 EH Annotated Anodyne Fc1cc(-c2ccccc2F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028389728 EH Annotated Anodyne C[C@@H](CNc1ccc2[nH]ncc2c1)Oc1cccc2ccc(N)nc12 ZINC000028390516 EH Annotated Anodyne C[C@H](CNc1ccc2[nH]ncc2c1)Oc1cccc2ccc(N)nc12 ZINC000028390521 EH Annotated Anodyne CC(=O)c1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028394421 EH Annotated Anodyne Fc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1 ZINC000028394427 EH Annotated Anodyne COc1ccc(C)cc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028394999 EH Annotated Anodyne CCc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028395055 EH Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000028395832 EH Annotated Mild Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028396057 EH Annotated Anodyne Cc1ccc(C2=[N+]([O-])c3cc(-c4cnc(N)nc4)ccc3[C@@H]2C)cc1 ZINC000028455505 EH Annotated Anodyne Cc1ccc(C2=[N+]([O-])c3cc(-c4cnc(N)nc4)ccc3[C@H]2C)cc1 ZINC000028455508 EH Annotated Anodyne CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)c1ccccc1 ZINC000028456875 EH Annotated Anodyne C[C@@H](SC1=CC(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 ZINC000028459376 EH Annotated Mild C[C@H](SC1=CC(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 ZINC000028459379 EH Annotated Mild CCCC[C@@H](Cc1scnc1C(=O)Nc1nccs1)OC ZINC000028460139 EH Annotated Anodyne CCCC[C@H](Cc1scnc1C(=O)Nc1nccs1)OC ZINC000028460142 EH Annotated Anodyne NCCCCNCCNCCCc1c2ccccc2cc2ccccc12 ZINC000028460333 EH Annotated Bother CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1ccc(Br)cc1 ZINC000028460920 EH Annotated Anodyne CCCc1c(OCC2CCC2)c2c([N+](=O)[O-])c(F)ccc2[nH]c1=O ZINC000028463079 EH Annotated Bother CO[C@H](Cc1scnc1C(=O)Nc1nccs1)c1ccccc1 ZINC000028463556 EH Annotated Anodyne COc1ccc(C(=O)Oc2cc3occc3cc2C(C)=O)cc1OC ZINC000028464676 EH Annotated Anodyne CC(=O)NCn1cc(-c2ccc(-c3ccc(Cl)s3)cc2)c(=O)o1 ZINC000028466705 EH Annotated Anodyne COc1cc2c(cc1C)NC(=O)/C2=C/c1c(C)nc2sc(C)cn12 ZINC000028469303 EH Annotated Anodyne Cc1ccc2[nH]cc(C(=O)N3CCC(c4cccc(CN)c4)CC3)c2c1 ZINC000028469904 EH Annotated Anodyne Cc1cccc2c(C(=O)N3CCC(c4cccc(CN)c4)CC3)c[nH]c12 ZINC000028471658 EH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)C1CCCCC1 ZINC000028473788 EH Annotated Bother COc1cc(O)cc2c1C(Br)=C(c1ccc(O)cc1)C2=O ZINC000028475012 EH Annotated Mild O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2cc(O)cc(O)c21 ZINC000028477106 EH Annotated Mild CCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O ZINC000028521340 EH Annotated Anodyne COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(Cl)cc1)C2=O ZINC000028521858 EH Annotated Mild Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C ZINC000028523141 EH Annotated Anodyne Cc1[nH]c2nc(N)nc(O)c2c1Sc1ccc(C(F)(F)F)cc1 ZINC000028523225 EH Annotated Anodyne Cc1c(-c2cccs2)nc(OC[C@@H](C)N)nc1-c1cccs1 ZINC000028524319 EH Annotated Anodyne Cc1c(-c2cccs2)nc(OC[C@H](C)N)nc1-c1cccs1 ZINC000028524320 EH Annotated Anodyne CCCCNC(=O)[C@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 ZINC000028524700 EH Annotated Anodyne CCCCNC(=O)[C@@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 ZINC000028524701 EH Annotated Anodyne CCCCNC(=O)[C@H](c1ccccc1)N1C(=O)C[C@H]1c1ccccc1 ZINC000028524702 EH Annotated Anodyne CCCCNC(=O)[C@@H](c1ccccc1)N1C(=O)C[C@H]1c1ccccc1 ZINC000028524703 EH Annotated Anodyne CC(=O)NCn1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)c(=O)o1 ZINC000028524800 EH Annotated Anodyne CCN(CC)c1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1 ZINC000028526058 EH Annotated Anodyne CCN(CC)C(=S)/N=N\c1c(O)n(CN(C)C)c2ccccc12 ZINC000028526499 EH Annotated Clean N=c1sc2c(n1CC(=O)c1ccc(C(F)(F)F)cc1)CCCC2 ZINC000028528117 EH Annotated Anodyne CCOc1cc(-c2cccnc2C#N)cnc1Nc1cccc(C)n1 ZINC000028528698 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C=C(C)CC[C@@]2(O)[C@H](C(C)C)CC(=O)[C@]12C ZINC000028537672 EH Annotated Anodyne CCOP(=O)(CN1CCn2c(c(C)c3ccccc32)C1)OCC ZINC000028564061 EH Annotated Anodyne N#Cc1c(N)nc(Sc2cccc(N)c2)c(C#N)c1-c1ccccc1 ZINC000028567540 EH Annotated Mild N#Cc1c(N)nc(Sc2ccc(N)cc2)c(C#N)c1-c1ccccc1 ZINC000028567541 EH Annotated Mild N#Cc1c(N)nc(Sc2ccc(O)cc2)c(C#N)c1-c1ccccc1 ZINC000028567616 EH Annotated Mild S=C(NCCc1cc2ccccc2[nH]1)SCc1cccnc1 ZINC000028567772 EH Annotated Anodyne S=C(NCCc1cc2ccccc2[nH]1)SCc1ccncc1 ZINC000028567773 EH Annotated Anodyne N#Cc1c(N)nc(Sc2cccc(O)c2)c(C#N)c1-c1ccccc1 ZINC000028567774 EH Annotated Mild COc1cc(N)nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 ZINC000028568292 EH Annotated Anodyne CCCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(O)c(C)c1 ZINC000028568711 EH Annotated Anodyne CCCN(c1c(C)cccc1Cl)S(=O)(=O)c1ccc(O)cc1 ZINC000028569513 EH Annotated Anodyne FC(F)(F)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1 ZINC000028569713 EH Annotated Anodyne CCCN(c1ccccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1 ZINC000028570014 EH Annotated Anodyne O=S(=O)(c1ccc(O)cc1)N(c1ccccc1)C1CCCCC1 ZINC000028570099 EH Annotated Anodyne in-vivo CCCN(c1ccccc1Cl)S(=O)(=O)c1ccc(O)cc1 ZINC000028570105 EH Annotated Anodyne C=CCCCCc1c(O)nc(Nc2ccc3c(c2)CCC3)[nH]c1=O ZINC000028570280 EH Annotated Mild O=S(=O)(c1ccc(O)cc1)N(c1ccccc1)c1ccccc1 ZINC000028570784 EH Annotated Anodyne in-vivo O=S(=O)(CCCCN1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000028571486 EH Annotated Anodyne O=S(=O)(CCCCN1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000028571487 EH Annotated Anodyne CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1 ZINC000028571675 EH Annotated Anodyne CCCN1C[C@@H](CNCCc2c[nH]c3ccccc23)Oc2ccccc21 ZINC000028572031 EH Annotated Anodyne CCCN1C[C@H](CNCCc2c[nH]c3ccccc23)Oc2ccccc21 ZINC000028572032 EH Annotated Anodyne CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 ZINC000028572286 EH Annotated Anodyne Cc1cnc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)c(C)c1[N+](=O)[O-] ZINC000028572325 EH Annotated Bother Cc1nc2cc3c4c(nn3CCN(C)C)c3ccccc3oc4c2[nH]1 ZINC000028604313 EH Annotated Bother CC#CSc1nc(O)c(C)c(C(=O)c2cccc3ccccc23)n1 ZINC000028634943 EH Annotated Mild O=C(NNc1nc2ccccc2n2cccc12)c1ccc2cc[nH]c2c1 ZINC000028639897 EH Annotated Reactive O=C(NNc1nc2ccccc2n2cccc12)c1ccc2[nH]ccc2c1 ZINC000028639900 EH Annotated Reactive O=C1O[C@@H](O)C(c2cccc3c2oc2ccccc23)=C1Br ZINC000028639976 EH Annotated Anodyne O=C1O[C@H](O)C(c2cccc3c2oc2ccccc23)=C1Br ZINC000028639979 EH Annotated Anodyne O=C(NNc1nc2ccccc2n2cccc12)c1c[nH]c2ccccc12 ZINC000028640181 EH Annotated Reactive Cc1ccccc1-c1ncnc2c1[nH]c(=O)n2-c1c(C)cccc1C ZINC000028642743 EH Annotated Anodyne CN[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 ZINC000028644606 EH Annotated Anodyne CN[C@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 ZINC000028644607 EH Annotated Anodyne Fc1c(F)c(F)c(CSC2=N[C@@H]3C=CC=CC3=N2)c(F)c1F ZINC000028644631 EH Annotated Anodyne Fc1c(F)c(F)c(CSC2=N[C@H]3C=CC=CC3=N2)c(F)c1F ZINC000028644633 EH Annotated Anodyne O/C(=N\CC1CCCCC1)c1nc(-c2cccs2)nc(O)c1O ZINC000028644781 EH Annotated Mild C=CC[C@H](N[C@H](CO)C(C)C)c1cn(C(=O)OCC)c2ccccc12 ZINC000028646683 EH Annotated Mild Cc1cc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)nc(C)n1 ZINC000028647401 EH Annotated Anodyne Cc1cc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)nc(C)n1 ZINC000028647404 EH Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]1c1ccc(OCCCNc2ccccn2)cc1 ZINC000028648074 EH Annotated Anodyne O=C(O)C[C@H]1C[C@@H]1c1ccc(OCCCNc2ccccn2)cc1 ZINC000028648077 EH Annotated Anodyne O=C(O)C[C@@H]1C[C@H]1c1ccc(OCCCNc2ccccn2)cc1 ZINC000028648080 EH Annotated Anodyne O=C(O)C[C@H]1C[C@H]1c1ccc(OCCCNc2ccccn2)cc1 ZINC000028648082 EH Annotated Anodyne OC[C@H]1C[C@](O)(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)O1 ZINC000028648834 EH Annotated Anodyne OC[C@H]1C[C@](O)(c2ccccc2Cl)[C@@H](c2ccccc2Cl)O1 ZINC000028648838 EH Annotated Anodyne COc1cc(Sc2c[nH]c3ccc(N)cc23)cc(OC)c1OC ZINC000028651321 EH Annotated Anodyne O=C1CCN([C@@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1 ZINC000028653847 EH Annotated Anodyne C=Cc1c(-c2ccccc2)nn(C)c(=O)c1NCCc1ccccc1 ZINC000028655284 EH Annotated Anodyne CCCCn1nc(-c2ccccc2)c(/C=C/Br)c(N)c1=O ZINC000028655291 EH Annotated Anodyne Cc1cnnc(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000028701695 EH Annotated Mild NC(=O)/C(=C\Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000028701956 EH Annotated Mild CNC(=O)/C(=C\Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000028701958 EH Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@H]2CC(C)C)cc1 ZINC000028704315 EH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@@H]2CC(C)C)cc1 ZINC000028704317 EH Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2ccc(N)cc2NC3=O)ccc1N ZINC000028710742 EH Annotated Anodyne CN(C)c1ccc(-c2cn3cc(Br)cc(C#N)c3n2)cc1 ZINC000028710746 EH Annotated Mild COc1cc(-c2ccc3c(c2)Nc2cc(N)ccc2NC3=O)ccc1N ZINC000028710748 EH Annotated Anodyne C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(N)c3)o2)SC1=S ZINC000028710831 EH Annotated Mild NC(=O)Nc1ccc(-c2ccc(Br)c(F)c2)cc1F ZINC000028712012 EH Annotated Anodyne in-vivo Oc1ccc(-c2nnc(COc3ccccc3Cl)s2)c(O)c1 ZINC000028712195 EH Annotated Anodyne CCc1nnc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)s1 ZINC000028712622 EH Annotated Anodyne CCc1nnc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)s1 ZINC000028712623 EH Annotated Anodyne S=C(N/N=C\c1c[nH]c2ccccc12)N1CCCc2ccccc21 ZINC000028712750 EH Annotated Mild Cc1ccc(-c2nnc3n2ccc2nnc(-c4ccc(C)cc4)n23)cc1 ZINC000028712760 EH Annotated Anodyne C=CCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)o1 ZINC000028712852 EH Annotated Mild Cc1occc1-c1nnc2sc(Cc3c[nH]c4ccccc34)nn12 ZINC000028712906 EH Annotated Anodyne COc1ccc(Cl)c(-c2nnc3n2N[C@H](c2ccco2)S3)c1 ZINC000028712908 EH Annotated Anodyne COc1ccc(Cl)c(-c2nnc3n2N[C@@H](c2ccco2)S3)c1 ZINC000028712909 EH Annotated Anodyne CN1C[C@H]2CC[C@@H](OCc3ccccc3)[C@@H]1CN2Cc1ccccc1 ZINC000028712977 EH Annotated Anodyne O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1CCN1CCCCC1 ZINC000028713224 EH Annotated Anodyne O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1CCN1CCCCC1 ZINC000028713225 EH Annotated Anodyne CCOC(=O)c1cnc2c(Cl)c(Cl)c3ncccc3c2c1O ZINC000028713560 EH Annotated Bother C[C@@H](CN(C)C)Oc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O ZINC000028713981 EH Annotated Clean C[C@H](CN(C)C)Oc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O ZINC000028713982 EH Annotated Clean CCOC(=O)/C(=C/Nc1cc(F)cc(F)c1)c1ccc(OC)cc1 ZINC000028714124 EH Annotated Anodyne C/C(=C1/SC(=S)N([C@@H](CC(C)C)C(=O)O)C1=O)c1ccccc1 ZINC000028714325 EH Annotated Clean CCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1 ZINC000028758831 EH Annotated Anodyne C[C@@H](O)CN(C)c1nc2cc(-c3ccccc3)nnc2c2ccccc12 ZINC000028761512 EH Annotated Bother C[C@H](O)CN(C)c1nc2cc(-c3ccccc3)nnc2c2ccccc12 ZINC000028761514 EH Annotated Bother Clc1ccc(CN2CCc3ccccc3[C@@H]2Cn2cncn2)cc1 ZINC000028761632 EH Annotated Anodyne Clc1ccc(CN2CCc3ccccc3[C@H]2Cn2cncn2)cc1 ZINC000028761634 EH Annotated Anodyne O=c1c2c(c3cccnc3n1-c1cccc(Cl)c1)OCCCC2 ZINC000028761724 EH Annotated Anodyne Fc1ccc(CN2CCc3ccccc3[C@@H]2Cn2ccnc2)c(F)c1 ZINC000028762113 EH Annotated Anodyne Fc1ccc(CN2CCc3ccccc3[C@H]2Cn2ccnc2)c(F)c1 ZINC000028762114 EH Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCCCCCC2)CC1 ZINC000028765657 EH Annotated Anodyne CCCSc1ccc2c(c1)nc(NC(=O)OC)n2C(=O)OCC ZINC000028766888 EH Annotated Anodyne CCCSc1ccc2nc(NC(=O)OC)n(C(=O)OCC)c2c1 ZINC000028767251 EH Annotated Anodyne O[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1 ZINC000028768231 EH Annotated Anodyne O[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1 ZINC000028768233 EH Annotated Anodyne COc1ccc([C@](O)(c2cncnc2)c2ccc(C)c(C)c2)cc1C ZINC000028768899 EH Annotated Anodyne COc1ccc([C@@](O)(c2cncnc2)c2ccc(C)c(C)c2)cc1C ZINC000028768900 EH Annotated Anodyne C[C@@H]1SC2=N[C@H]3c4ccccc4CC[C@H]3N2[C@@]1(O)c1ccccc1 ZINC000028769192 EH Annotated Anodyne C[C@@H]1SC2=N[C@@H]3c4ccccc4CC[C@H]3N2[C@@]1(O)c1ccccc1 ZINC000028769193 EH Annotated Anodyne C[C@@H]1SC2=N[C@H]3c4ccccc4CC[C@@H]3N2[C@@]1(O)c1ccccc1 ZINC000028769195 EH Annotated Anodyne C[C@@H]1SC2=N[C@@H]3c4ccccc4CC[C@@H]3N2[C@@]1(O)c1ccccc1 ZINC000028769197 EH Annotated Anodyne COc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 ZINC000028769458 EH Annotated Anodyne COc1ccc2c(c1)c(OC(C)C)c(-c1nnn[nH]1)n2-c1ccccc1 ZINC000028769484 EH Annotated Anodyne C[C@H]1c2cccc3c2N(CC3)c2ccccc2N1C(=O)CCN(C)C ZINC000028770381 EH Annotated Anodyne C[C@@H]1c2cccc3c2N(CC3)c2ccccc2N1C(=O)CCN(C)C ZINC000028770383 EH Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-c3noc(C#N)n3)cc2C)on1 ZINC000028770739 EH Annotated Mild Cc1cc(CC(=O)O)c(N)c(C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000028770800 EH Annotated Anodyne CNCC(=O)N1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@@H]1C ZINC000028770911 EH Annotated Anodyne CNCC(=O)N1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@H]1C ZINC000028770913 EH Annotated Anodyne Nc1c(CC(=O)O)cccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000028771454 EH Annotated Anodyne Nc1c(CC(=O)O)cc(F)cc1C(=O)c1ccc(Cl)cc1Cl ZINC000028771880 EH Annotated Anodyne CCCNCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1C ZINC000028771930 EH Annotated Anodyne CCCNCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@H]1C ZINC000028771932 EH Annotated Anodyne O=c1c2c3c(sc2nc2sc(-c4ccccc4)nn12)CCCC3 ZINC000028814840 EH Annotated Anodyne C[C@@](O)(c1nc2cc(Cl)c(Cl)cc2n1CC#N)C(F)(F)F ZINC000028817567 EH Annotated Mild C[C@](O)(c1nc2cc(Cl)c(Cl)cc2n1CC#N)C(F)(F)F ZINC000028817569 EH Annotated Mild COCn1c([C@@](C)(O)C(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028817573 EH Annotated Anodyne COCn1c([C@](C)(O)C(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028817575 EH Annotated Anodyne COC(=O)c1cn(-c2ccc(Cl)cc2)c2c1C(=O)C(C)=C(C)C2=O ZINC000028817959 EH Annotated Mild COC(=O)c1cn(-c2ccc(C)c(C)c2)c2c1C(=O)C(C)=C(C)C2=O ZINC000028817970 EH Annotated Mild CCc1ccc(-n2cc(C(=O)OC)c3c2C(=O)C(C)=C(C)C3=O)cc1 ZINC000028817974 EH Annotated Mild Cn1c([C@@](C)(O)C(F)(F)F)cc2cc(C#N)c(C(F)(F)F)cc21 ZINC000028818450 EH Annotated Mild Cn1c([C@](C)(O)C(F)(F)F)cc2cc(C#N)c(C(F)(F)F)cc21 ZINC000028818451 EH Annotated Mild CCOC(=O)c1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O ZINC000028818704 EH Annotated Anodyne N#Cc1c(O)c2c(-c3ccccc3)c(Br)sc2[nH]c1=O ZINC000028819360 EH Annotated Mild CCCSc1ncnc2ccc(I)cc12 ZINC000028819725 EH Annotated Anodyne C=CCSc1ncnc2ccc(I)cc12 ZINC000028819727 EH Annotated Mild CCSC[C@@H](O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000028820525 EH Annotated Bother CCSC[C@H](O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000028820527 EH Annotated Bother CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 ZINC000028821272 EH Annotated Anodyne CC[C@H]1CCCC[C@@H]1Nc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1 ZINC000028821460 EH Annotated Bother Cn1c(-c2ccccc2C=O)c(Br)c2ccccc2c1=O ZINC000028821997 EH Annotated Anodyne CC(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1 ZINC000028822049 EH Annotated Anodyne O=S(=O)(CC#CCOc1ccc2ccccc2c1)c1ccccc1 ZINC000028823087 EH Annotated Mild CCC1(CC)OC(N[C@@H](C)c2ccc(Br)cc2)=NC1=O ZINC000028824019 EH Annotated Anodyne CCC1(CC)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O ZINC000028824020 EH Annotated Anodyne CC(C)[C@@]1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O ZINC000028824021 EH Annotated Anodyne CC(C)[C@]1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O ZINC000028824022 EH Annotated Anodyne CC(C)CCn1c(CN2C(=O)[C@H](O)c3ccccc32)nc2ccccc21 ZINC000028824394 EH Annotated Anodyne CCCc1ccc2c(c1)NC(=O)[C@@]21NN=C(c2ccc(C)cc2)S1 ZINC000028824724 EH Annotated Clean CCCc1ccc2c(c1)NC(=O)[C@]21NN=C(c2ccc(C)cc2)S1 ZINC000028824725 EH Annotated Clean COc1cc(NC(C)(C)CCCN)c2nc(C(F)(F)F)ccc2n1 ZINC000028826050 EH Annotated Anodyne O=C(/C=C/c1nccs1)c1ccc(I)cc1 ZINC000028826779 EH Annotated Mild Cc1nn(C)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 ZINC000028863055 EH Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N(C)C2CCCCC2)[nH]c1=O ZINC000028866198 EH Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N(C)c2ccccc2)[nH]c1=O ZINC000028866200 EH Annotated Anodyne CCCN(CCC)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 ZINC000028866204 EH Annotated Anodyne Cc1c([C@H](C)c2c(Cl)cccc2Cl)nc(N(C)C)[nH]c1=O ZINC000028866664 EH Annotated Anodyne Cc1c([C@@H](C)c2c(Cl)cccc2Cl)nc(N(C)C)[nH]c1=O ZINC000028866667 EH Annotated Anodyne Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCC[C@@H](C)C2)[nH]c1=O ZINC000028866748 EH Annotated Anodyne Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCC[C@H](C)C2)[nH]c1=O ZINC000028866751 EH Annotated Anodyne Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCC(C)CC2)[nH]c1=O ZINC000028866754 EH Annotated Anodyne Cc1c([C@H](C)c2c(F)cccc2F)nc(N2CCC(C)CC2)[nH]c1=O ZINC000028866756 EH Annotated Anodyne Cc1c([C@H](C)c2c(F)cccc2F)nc(N2CCCCCC2)[nH]c1=O ZINC000028866758 EH Annotated Anodyne Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCCCCC2)[nH]c1=O ZINC000028866761 EH Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccccc1)O3 ZINC000028866974 EH Annotated Anodyne Cc1nc2c3c(c(C4=NCCO4)cn2c1C)CC[C@H](c1ccccc1)O3 ZINC000028867302 EH Annotated Anodyne Cc1nc2c3c(c(C4=NCCO4)cn2c1C)CC[C@@H](c1ccccc1)O3 ZINC000028867306 EH Annotated Anodyne COC(=O)c1cc2c([nH]c3ncc(C)cc32)c(Cc2ccccc2)n1 ZINC000028867817 EH Annotated Anodyne COC(=O)c1cc2c3cc(C)cnc3n(C)c2c(-c2ccccc2)n1 ZINC000028867838 EH Annotated Anodyne COC(=O)c1cc2c3cc(C)cnc3n(C)c2c(Cc2ccccc2)n1 ZINC000028867844 EH Annotated Anodyne Cc1cnc2c(c1)c1cc(C(=O)O)nc(Cc3ccccc3)c1n2C ZINC000028867943 EH Annotated Anodyne CN(C)Cc1cc(OCCF)ccc1Sc1ccc(F)cc1N ZINC000028870420 EH Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Nc1ccc(F)cc1 ZINC000028870962 EH Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Nc1ccc(F)cc1 ZINC000028870965 EH Annotated Mild Cc1cn2cc(C(=O)N(C)C)c3c(c2n1)C[C@@H](c1ccccc1)CC3 ZINC000028871447 EH Annotated Anodyne Cc1cn2cc(C(=O)N(C)C)c3c(c2n1)C[C@H](c1ccccc1)CC3 ZINC000028871452 EH Annotated Anodyne Clc1cnc2sc(Cc3ccccc3)c(C3=NCCN3)c2c1 ZINC000028871842 EH Annotated Anodyne Cc1cc2c(n1[C@@H](Cc1ccccc1)C(=O)O)CC(C)(C)CC2=O ZINC000028873190 EH Annotated Anodyne Cc1cc2c(n1[C@H](Cc1ccccc1)C(=O)O)CC(C)(C)CC2=O ZINC000028873194 EH Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccccc3)n([C@@H](CS)C(=O)O)c2C1 ZINC000028873229 EH Annotated Mild CC1(C)CC(=O)c2cc(-c3ccccc3)n([C@H](CS)C(=O)O)c2C1 ZINC000028873234 EH Annotated Mild CCCCNc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000028873383 EH Annotated Reactive CCCCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000028873387 EH Annotated Reactive COc1ccc(Cn2c(C)nc3c(-c4ccc(C)o4)ncnc32)cc1 ZINC000028877918 EH Annotated Anodyne CCOC(=O)/C=C(/C)COc1ccc(C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000028878138 EH Annotated Anodyne CCOC(=O)/C=C(\C)COc1ccc(C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000028878155 EH Annotated Anodyne CCOC(=O)/C=C(/C)COc1ccc(C[C@H]2CCCC[C@@H]2O)cc1 ZINC000028878172 EH Annotated Anodyne CCOC(=O)/C=C(\C)COc1ccc(C[C@H]2CCCC[C@@H]2O)cc1 ZINC000028878191 EH Annotated Anodyne Cn1c(-c2ccc3c(c2)OCO3)cc2onc(-c3ccccc3)c2c1=O ZINC000028879057 EH Annotated Anodyne N#CCCN(C(=O)c1ccc(C(=O)C(F)(F)F)cc1)c1ccccc1 ZINC000028880558 EH Annotated Mild O=C1Nc2ccc(F)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028883989 EH Annotated Anodyne O=C1Nc2cc(F)ccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028883993 EH Annotated Anodyne Cc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2 ZINC000028884021 EH Annotated Anodyne Cc1ccc2c(c1)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884034 EH Annotated Anodyne O=C1Nc2c(F)cccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884145 EH Annotated Anodyne CCc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884244 EH Annotated Anodyne Cc1cc(F)cc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884308 EH Annotated Anodyne Cc1c(F)ccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884442 EH Annotated Anodyne N#Cc1c(N)nc(Sc2ccc(O)cc2)c(C#N)c1-c1ccco1 ZINC000028887177 EH Annotated Mild CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)N(C)C)cc2)c1Cl ZINC000028887750 EH Annotated Anodyne CCc1ncnc(N[C@H](C)c2ccc(OC(=O)N(C)C)cc2)c1Cl ZINC000028887756 EH Annotated Anodyne CCc1ccc(/C=C2\SC(NC(=O)c3ccc(C)cc3)=NC2=O)o1 ZINC000028888606 EH Annotated Clean O=S(=O)(c1ccc(/C=C/c2ccncc2)nc1)c1ccccc1F ZINC000028889305 EH Annotated Anodyne CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1 ZINC000028889853 EH Annotated Anodyne COc1ccc2nc(-c3n[nH]cc3/C=C/c3cnccc3C)[nH]c2c1 ZINC000028896747 EH Annotated Anodyne Cc1ccc(NCc2ccc3cc2OCC#C/C=C\C#CCO3)cc1 ZINC000028901228 EH Annotated Mild COc1ccc(Cc2nc(N)sc2Cc2ccc(O)cc2)cc1 ZINC000028902192 EH Annotated Anodyne c1ccc(-c2ccccc2CN(C2CCOCC2)[C@H]2CCNC2)cc1 ZINC000028948831 EH Annotated Anodyne CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000028949229 EH Annotated Anodyne CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(N(C)C)cc1 ZINC000028949320 EH Annotated Anodyne COc1ccc(C2=C(c3cccc(N)c3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000028949759 EH Annotated Anodyne COc1ccc(C2=C(c3cccc(N)c3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000028949761 EH Annotated Anodyne COC(=O)c1c(C)c(OC)cc(O)c1CNc1ccc(Cl)cc1 ZINC000028950803 EH Annotated Clean C=CC[C@H]1c2c(O)cc(OC)c(C)c2C(=O)N1c1ccc(OC)cc1 ZINC000028950923 EH Annotated Mild C=CC[C@@H]1c2c(O)cc(OC)c(C)c2C(=O)N1c1ccc(OC)cc1 ZINC000028950925 EH Annotated Mild COc1cc(O)c2c(c1C)C(=O)N1c3ccc(Cl)cc3[C@@H](O)C[C@H]21 ZINC000028950995 EH Annotated Clean CC[C@@H](C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O ZINC000028951012 EH Annotated Anodyne CC[C@H](C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O ZINC000028951013 EH Annotated Anodyne C=Cc1c[nH]c(=O)c2c1cc(CCCN)c1ccc(-c3cn[nH]c3)cc12 ZINC000028955983 EH Annotated Bother O=C(NCc1c(F)cccc1Cl)c1snnc1C1CCC1 ZINC000028956825 EH Annotated Anodyne O=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCC1 ZINC000028956828 EH Annotated Anodyne O=C(NCc1c(F)cccc1Cl)c1snnc1-c1ccccc1 ZINC000028956836 EH Annotated Anodyne O=C(NCc1c(F)cccc1C(F)(F)F)c1snnc1C1CC1 ZINC000028956852 EH Annotated Anodyne CC(C)(NC(=O)c1snnc1C1CC1)c1c(F)cccc1Cl ZINC000028956923 EH Annotated Anodyne CCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 ZINC000028958705 EH Annotated Anodyne C#CCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 ZINC000028958724 EH Annotated Mild CC(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1 ZINC000028958822 EH Annotated Anodyne CNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12 ZINC000028959050 EH Annotated Anodyne C#C/C=C\C[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@@H]2C[C@@H]1Cl ZINC000028965977 EH Annotated Reactive O=C1c2c(ccc(O)c2O)CN1Cc1cccc(Cc2ccccc2)c1 ZINC000028967081 EH Annotated Clean COc1cc([C@]2(C)[C@@H](C)C=C[C@H]3CCC[C@H](C)[C@H]32)oc(=O)c1C=O ZINC000028967125 EH Annotated Anodyne COc1cc([C@]2(C)[C@H](C)C=C[C@@H]3CCC[C@H](C)[C@H]32)oc(=O)c1CO ZINC000028967146 EH Annotated Anodyne CC1(C)CC(=O)c2cc(C#N)c(N3CCc4ccccc4C3)nc2C1 ZINC000028967460 EH Annotated Mild C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C/[C@@H](O)C1)N(C)C3=O)C2(C)C ZINC000028971373 EH Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(=O)/C(C)=C/C)C=CC(=C)[C@@H]21 ZINC000028972288 EH Annotated Mild C=C1[C@@H](OC(=O)[C@H](C)CC)C=C[C@@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 ZINC000028972338 EH Annotated Mild C=C1[C@@H](OC(=O)[C@@H](C)CC)C=C[C@@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 ZINC000028972343 EH Annotated Mild CCCc1cc(=O)c2c(OC)c3c(OC)cc(OC)cc3cc2o1 ZINC000028974898 EH Annotated Bother Cc1ccc2[nH]c3c(cnc4c3cnn4-c3ccccc3)c(=O)c2c1 ZINC000028975785 EH Annotated Bother Cc1ccc(Cl)cc1Nc1nccc(C2=CNN3C=CC=C[C@H]23)n1 ZINC000028975982 EH Annotated Anodyne Cc1ccc(Cl)cc1Nc1nccc(C2=CNN3C=CC=C[C@@H]23)n1 ZINC000028975986 EH Annotated Anodyne C[C@@]1(c2cccc(O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978473 EH Annotated Anodyne C[C@]1(c2cccc(O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978477 EH Annotated Anodyne C[C@@]1(c2ccc(O)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978494 EH Annotated Anodyne C[C@]1(c2ccc(O)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978498 EH Annotated Anodyne C[C@@]1(c2ccc(N)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978514 EH Annotated Anodyne C[C@]1(c2ccc(N)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978519 EH Annotated Anodyne CN(C)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 ZINC000028979835 EH Annotated Bother O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)OC/C=C/c1ccccc1 ZINC000028979919 EH Annotated Reactive CN(C)c1ccc(N2Cc3cc(Br)ccc3C2=O)cc1 ZINC000029038418 EH Annotated Anodyne O=C1C=C(Oc2ccc(F)cc2Br)C(=O)c2ccccc21 ZINC000029041084 EH Annotated Mild CC(C)=CCC[C@@](O)(CO)[C@@H]1CC/C(=C\CCc2ccoc2)CO1 ZINC000029042224 EH Annotated Anodyne CC(C)=CCC[C@](O)(CO)[C@H]1CC/C(=C\CCc2ccoc2)CO1 ZINC000029042228 EH Annotated Anodyne C=Cc1c(C)c(O)cc2c1CC[C@@H](C(C)(C)C(=O)O)[C@@]2(C)CC(=O)O ZINC000029042353 EH Annotated Anodyne C=Cc1c(C)c(O)cc2c1CC[C@H](C(C)(C)C(=O)O)[C@@]2(C)CC(=O)O ZINC000029042355 EH Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1CC[C@H]1[C@@](CO)(C(=O)O)CCC[C@]21C ZINC000029042433 EH Annotated Anodyne C=C1c2ccoc2C[C@H]2[C@H]1CC[C@H]1[C@@](CO)(C(=O)O)CCC[C@]21C ZINC000029043689 EH Annotated Mild CCSCCSc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000029044082 EH Annotated Bother CCSCCSc1nnc(-c2ccccc2[N+](=O)[O-])s1 ZINC000029044093 EH Annotated Bother C[C@@](C#N)(COc1ccccc1Cl)NC(=O)c1ccc(F)cc1 ZINC000029045770 EH Annotated Mild C[C@](C#N)(COc1ccccc1Cl)NC(=O)c1ccc(F)cc1 ZINC000029045773 EH Annotated Mild CCCCN1CCC2(CC1)O[C@@H](OC)c1c2cnn1-c1ccccc1 ZINC000029055969 EH Annotated Anodyne CCCCN1CCC2(CC1)O[C@H](OC)c1c2cnn1-c1ccccc1 ZINC000029055973 EH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c(O)c1)C2 ZINC000029123827 EH Annotated Clean in-vivo CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1cc(O)c(O)c(O)c1)C2 ZINC000029123829 EH Annotated Clean in-vivo CCN(CC)CCN1C(=O)c2c(c3ccccc3c3ccccc23)C1=O ZINC000029124382 EH Annotated Bother CCN(CC)CCN1C(=O)c2c(c3sccc3c3ccoc23)C1=O ZINC000029124386 EH Annotated Anodyne Cc1cn2cc(C(=O)N3CCC[C@H]3C)cc2c(C#Cc2ccsc2)n1 ZINC000029124910 EH Annotated Mild Cc1cn2cc(C(=O)N3CCC[C@@H]3C)cc2c(C#Cc2ccsc2)n1 ZINC000029124912 EH Annotated Mild Cc1ncccc1CNc1ncnn1-c1cccc(Cl)c1Cl ZINC000029126122 EH Annotated Anodyne O=C(CCCC1CCN(C(=O)C2CCCCC2)CC1)c1ncco1 ZINC000029126383 EH Annotated Anodyne Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1 ZINC000029126505 EH Annotated Anodyne Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 ZINC000029126582 EH Annotated Anodyne Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 ZINC000029126584 EH Annotated Anodyne O=C1N=C(O)/C(=C/c2cc3ccccc3[nH]2)C(=O)N1c1ccccc1 ZINC000029126828 EH Annotated Clean Cc1cc2nc(C(=O)N(C)C)cc(NCc3c(C)cccc3C)c2[nH]1 ZINC000029128283 EH Annotated Anodyne N#C[C@]12CCCC[C@H](CC1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029128366 EH Annotated Mild N#C[C@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029128367 EH Annotated Mild CN1CCC(N(C)Cc2cc(Cl)ccc2Br)CC1 ZINC000029130001 EH Annotated Anodyne Clc1cccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)c1 ZINC000029130328 EH Annotated Anodyne Clc1cccc(-[n+]2nc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000029130559 EH Annotated Anodyne CCCc1c(C/C=C(\C)C/C=C/C(C)(C)O)[nH]c(=O)c(C)c1OC ZINC000029131182 EH Annotated Anodyne Oc1ccc2c(c1)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000029132020 EH Annotated Anodyne Oc1cccc2c1CN(C(=S)NCCc1ccc(Cl)cc1)CC2 ZINC000029132024 EH Annotated Clean Oc1cccc2c1CCN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000029132101 EH Annotated Anodyne Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(N)=O ZINC000029132720 EH Annotated Anodyne CCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)CC3=O ZINC000029133269 EH Annotated Anodyne CCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)CC3=O ZINC000029133270 EH Annotated Anodyne FCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1 ZINC000029133532 EH Annotated Anodyne CCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@H](C)CC3=O ZINC000029133556 EH Annotated Anodyne CCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@@H](C)CC3=O ZINC000029133558 EH Annotated Anodyne CCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@H](C)CC3=O ZINC000029133560 EH Annotated Anodyne CCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@@H](C)CC3=O ZINC000029133562 EH Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)OC[C@H](C)C3=O ZINC000029133596 EH Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)OC[C@@H](C)C3=O ZINC000029133597 EH Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)OC[C@H](C)C3=O ZINC000029133599 EH Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)OC[C@@H](C)C3=O ZINC000029133600 EH Annotated Anodyne CCc1c(F)c(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@H](C)CC3=O ZINC000029133849 EH Annotated Anodyne CCc1c(F)c(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@@H](C)CC3=O ZINC000029133851 EH Annotated Anodyne CCc1c(F)c(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@H](C)CC3=O ZINC000029133852 EH Annotated Anodyne CCc1c(F)c(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@@H](C)CC3=O ZINC000029133854 EH Annotated Anodyne NC(=O)C(c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000029135807 EH Annotated Anodyne in-vivo NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(F)c1 ZINC000029135813 EH Annotated Anodyne NC(=O)C(c1ccc(F)cc1)(c1ccccc1F)c1ccccc1F ZINC000029135915 EH Annotated Anodyne NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000029136007 EH Annotated Anodyne in-vivo NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F ZINC000029136030 EH Annotated Anodyne in-vivo NC(=O)C(c1ccc(F)cc1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000029136068 EH Annotated Anodyne c1ccc2c(c1)O[C@@H](N1CCCCC1)c1cnc(N3CCCC3)nc1-2 ZINC000029207857 EH Annotated Anodyne c1ccc2c(c1)O[C@H](N1CCCCC1)c1cnc(N3CCCC3)nc1-2 ZINC000029207860 EH Annotated Anodyne c1ccc2c(c1)O[C@H](N1CCCC1)c1cnc(N3CCCCC3)nc1-2 ZINC000029208333 EH Annotated Anodyne c1ccc2c(c1)O[C@@H](N1CCCC1)c1cnc(N3CCCCC3)nc1-2 ZINC000029208337 EH Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)c(OC)cc3[C@@H]2C)cc1OC ZINC000029214182 EH Annotated Anodyne C/C(=N\N=C(/S)Nc1cc2ccccc2cc1N)c1ccccn1 ZINC000029214670 EH Annotated Mild COc1ccc(-c2csc3c2-n2cccc2C3=O)c(OC)c1OC ZINC000029250168 EH Annotated Anodyne C[C@H](C1CCCCC1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000029253249 EH Annotated Anodyne C[C@@H](C1CCCCC1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000029306167 EH Annotated Anodyne COC(=O)c1cc(C)n(/C(=N\c2ccccc2)c2ccccc2C)n1 ZINC000029311536 EH Annotated Mild CCC(=O)Oc1c(OC)c(OC)c(OC(=O)CC)c2c(C)cccc12 ZINC000029314027 EH Annotated Anodyne CC(C)(C)NC[C@@H](O)c1cc2cccc(CC(=O)OC(C)(C)C)c2o1 ZINC000029314455 EH Annotated Anodyne CC(C)(C)NC[C@H](O)c1cc2cccc(CC(=O)OC(C)(C)C)c2o1 ZINC000029314460 EH Annotated Anodyne CC(=O)O[C@H]1C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccc1 ZINC000029318599 EH Annotated Anodyne CC(=O)O[C@@H]1C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccc1 ZINC000029318604 EH Annotated Anodyne COC(=O)c1cc(C)n(/C(=N\c2ccccc2OC)c2ccccc2)n1 ZINC000029320891 EH Annotated Mild COC(=O)c1cc(C)n(/C(=N\c2ccccc2)c2ccccc2OC)n1 ZINC000029322347 EH Annotated Mild COC(=O)c1cccc([C@@H]2[C@@H](C)N=CN2Nc2cccc(Cl)c2)c1 ZINC000029327282 EH Annotated Anodyne COC(=O)c1cccc([C@H]2[C@@H](C)N=CN2Nc2cccc(Cl)c2)c1 ZINC000029327286 EH Annotated Anodyne COC(=O)c1cccc([C@@H]2[C@H](C)N=CN2Nc2cccc(Cl)c2)c1 ZINC000029327291 EH Annotated Anodyne COC(=O)c1cccc([C@H]2[C@H](C)N=CN2Nc2cccc(Cl)c2)c1 ZINC000029327296 EH Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccccc3O[C@@H]1CS2 ZINC000029338197 EH Annotated Anodyne CC(=O)Oc1ccc2c(c1)CCn1c-2cc2cc(OC(C)=O)ccc21 ZINC000029339438 EH Annotated Anodyne Cn1cc(C(=O)CN2CCCCC2)cc1C(=O)c1ccc(Cl)cc1 ZINC000029340053 EH Annotated Anodyne Cc1cc(-n2cc(C(=O)c3ccccc3)nc2C)cc2ccc(=O)[nH]c12 ZINC000029340838 EH Annotated Anodyne CC[C@]1(C(=O)N[C@H](C)COc2ccccc2F)[C@@H](C)C1(Cl)Cl ZINC000029342265 EH Annotated Anodyne CC[C@]1(C(=O)N[C@H](C)COc2ccccc2F)[C@H](C)C1(Cl)Cl ZINC000029342268 EH Annotated Anodyne CCN1CCN(C2=Nc3cc(C)ccc3Oc3cscc32)CC1 ZINC000029343677 EH Annotated Anodyne [O-][N+]1=C(c2ccccc2F)c2cc(Cl)ccc2-c2ncncc2C1 ZINC000029345196 EH Annotated Anodyne CC(=O)Oc1ccc2c(c1)CCn1c-2cc2ccc(OC(C)=O)cc21 ZINC000029345743 EH Annotated Anodyne CC[C@@H](C#N)C(=O)N[C@H](C)[C@@H](Oc1ccccc1C#N)c1ccccc1 ZINC000029347581 EH Annotated Mild CC[C@H](C#N)C(=O)N[C@H](C)[C@@H](Oc1ccccc1C#N)c1ccccc1 ZINC000029347584 EH Annotated Mild CC[C@]1(C(=O)N[C@H](C)COc2ccc(F)cc2)[C@@H](C)C1(Cl)Cl ZINC000029348064 EH Annotated Anodyne CC[C@]1(C(=O)N[C@H](C)COc2ccc(F)cc2)[C@H](C)C1(Cl)Cl ZINC000029348067 EH Annotated Anodyne O=C(Cc1cccc2sccc12)N[C@@H]1CCCC[C@H]1N1CCCC1 ZINC000029388733 EH Annotated Anodyne CC(C)(C)C(=O)c1ccc(C2=N[C@@H](Cc3ccccc3)C(=O)O2)cc1 ZINC000029388785 EH Annotated Anodyne Cc1cccc(N(C)c2cc(Cl)nc(SCC(=O)O)n2)c1C ZINC000029390280 EH Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2[C@H]3CCCC[C@H]3CC[C@H]2C)c1 ZINC000029393543 EH Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2[C@@H](C)CC[C@@H]3CCCC[C@@H]32)c1 ZINC000029393546 EH Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCCN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000029393657 EH Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2CC[C@@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000029394604 EH Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000029394607 EH Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2C[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000029394609 EH Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2C[C@@H](C)C[C@@H]3CCCC[C@@H]32)c1 ZINC000029394611 EH Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2[C@@H](C)CC[C@@H]3CCCC[C@H]32)c1 ZINC000029397506 EH Annotated Anodyne CCN1c2ncccc2-c2nccn2-c2ccc(N3CC=CCC3)nc21 ZINC000029397784 EH Annotated Anodyne O=c1c2cc(Cl)c(Cl)cc2sn1CCN1CCCCC1 ZINC000029401134 EH Annotated Anodyne C[C@]12C=CC(=O)C=C1C=C[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)C=C[C@@H]12 ZINC000029403012 EH Annotated Mild C[N+](C)(C)C[C@@H]1C[S@@](=O)C(C2CCCCC2)(C2CCCCC2)O1 ZINC000029405902 EH Annotated Bother C[N+](C)(C)C[C@@H]1C[S@](=O)C(C2CCCCC2)(C2CCCCC2)O1 ZINC000029405905 EH Annotated Bother Cc1cc2sn(CCN3CC4CCC(CC4)C3)c(=O)c2cc1C ZINC000029408239 EH Annotated Anodyne C=CCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000029408687 EH Annotated Mild C=CCOc1cc(Cl)cc(Cl)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 ZINC000029408690 EH Annotated Mild CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(Cl)cc1 ZINC000029409809 EH Annotated Mild COc1ccc(CC/N=C(/N)Cc2ccc3ccccc3c2)cc1OC ZINC000029410590 EH Annotated Mild Cn1c(-c2ccc(NC(=S)NC3CCCCC3)cc2)n[nH]c1=S ZINC000029410852 EH Annotated Anodyne NCCc1cnc(C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 ZINC000029411523 EH Annotated Anodyne Cn1c(-c2ccc(NC(=S)Nc3ccccc3)cc2)n[nH]c1=S ZINC000029412687 EH Annotated Anodyne Oc1ccc(-c2ccc(-c3ccc(-c4ccc(O)nn4)cc3)cc2)nn1 ZINC000029412695 EH Annotated Anodyne Cc1ccc(C2=C(CC(=O)O)[C@@H](c3cccs3)NC(S)=N2)cc1 ZINC000029413325 EH Annotated Anodyne Cc1ccc(C2=C(CC(=O)O)[C@H](c3cccs3)NC(S)=N2)cc1 ZINC000029413328 EH Annotated Anodyne COc1cc(N/C(=N/CCC(C)C)NC#N)cc(C(F)(F)F)c1 ZINC000029414480 EH Annotated Mild O=C(O)CC1=C(c2ccccc2)N=C(S)N[C@@H]1c1cccs1 ZINC000029416143 EH Annotated Anodyne O=C(O)CC1=C(c2ccccc2)N=C(S)N[C@H]1c1cccs1 ZINC000029416146 EH Annotated Anodyne CCCCCCNC(=N)N/C(N)=N\c1ccc(Cl)c(Cl)c1 ZINC000029461902 EH Annotated Mild O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@@H]1c1ccco1 ZINC000029464377 EH Annotated Anodyne O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@H]1c1ccco1 ZINC000029464380 EH Annotated Anodyne O=c1[nH]c(/C=C/c2ccccc2)nc2ccc(Br)cc12 ZINC000029464633 EH Annotated Anodyne CCN1c2ncccc2-c2ncc(C)n2-c2ccc(N3CCCC3)nc21 ZINC000029468528 EH Annotated Anodyne CC(=O)Oc1cc(C)cc(C)c1/C=C\C(=O)N(C)Cc1ccccc1 ZINC000029475158 EH Annotated Anodyne Cc1cc(C)cc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c1 ZINC000029478235 EH Annotated Anodyne Cc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c(C)c1 ZINC000029478267 EH Annotated Anodyne Cc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1C ZINC000029479485 EH Annotated Anodyne CC(=O)Oc1c(C)ccc(C)c1/C=C\C(=O)N(C)Cc1ccccc1 ZINC000029480932 EH Annotated Anodyne CCCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000029484335 EH Annotated Anodyne CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3ccsc32)C1(C)C ZINC000029485172 EH Annotated Anodyne Cn1cc[n+]2c1[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000029485804 EH Annotated Anodyne Cc1cc(CCCCCOc2ccc(C3=NC[C@@H](C)O3)cc2)on1 ZINC000029489057 EH Annotated Anodyne CC(C)c1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000029489175 EH Annotated Anodyne CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccc(C)n2)/C1=C(/O)OC(C)C ZINC000029489395 EH Annotated Anodyne CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccc(C)n2)/C1=C(/O)OC(C)C ZINC000029489398 EH Annotated Anodyne C=C1C[C@H]2C=Nc3cc(OCc4ccccc4)c(OC)cc3C(=O)N2C1 ZINC000029490056 EH Annotated Mild O=c1c2ccccc2oc2ccc(OCCO[C@@H]3CCCCO3)cc12 ZINC000029544307 EH Annotated Bother O=c1c2ccccc2oc2ccc(OCCO[C@H]3CCCCO3)cc12 ZINC000029544310 EH Annotated Bother Nc1nc(O)c(N=O)c(NCCCCCCCc2ccccc2)n1 ZINC000029544447 EH Annotated Anodyne N[C@@H](CS)CNc1ccc(-c2cccc(C3N=NN=N3)c2)cc1 ZINC000029549867 EH Annotated Mild C[C@@H]1CCC[C@@H](C)N1CCCC(O)(c1ccccn1)c1ccccn1 ZINC000029558716 EH Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCCC(O)(c1ccccn1)c1ccccn1 ZINC000029558719 EH Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCCC(O)(c1ccccn1)c1ccccn1 ZINC000029558723 EH Annotated Anodyne Ic1ccc2c(c1)[C@H]1CN[C@@H](C2)c2ccccc21 ZINC000029566906 EH Annotated Anodyne Ic1ccc2c(c1)[C@@H]1CN[C@H](C2)c2ccccc21 ZINC000029566909 EH Annotated Anodyne Nc1sc2c(c1C(=O)c1ccc(-c3ccccc3)cc1)CCNC2 ZINC000029567116 EH Annotated Anodyne Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1ccccc1n2C ZINC000029568331 EH Annotated Anodyne COc1ccc2c(c1)[C@@H]1CN[C@H]2Cc2ccc(Br)cc21 ZINC000029569598 EH Annotated Anodyne CN(C)/C(=N/C#N)C1=CC(C)(C)Oc2ccc(OC(F)(F)F)cc21 ZINC000029571417 EH Annotated Mild CC(C)(C)c1cc(/C=C2\CCN(CCO)C2=O)cc(C(C)(C)C)c1O ZINC000029571687 EH Annotated Anodyne COC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000299804653 EH Annotated Mild COC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000299804654 EH Annotated Mild COC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000299804655 EH Annotated Mild COC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000299804656 EH Annotated Mild O=C1CS[C@@H](c2c(F)cccc2F)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl ZINC000299806645 EH Annotated Reactive O=C1CS[C@H](c2c(F)cccc2F)N1C1[C@H](Cl)C[C@H]1Cl ZINC000299806646 EH Annotated Reactive O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl ZINC000299806647 EH Annotated Reactive SC(=Nc1ccc(Cl)c(Cl)c1)NN=Cc1ccccn1 ZINC000299807406 EH Annotated Mild CCOc1ccc2c(=NN=Cc3ccccc3OC)cc(C)[nH]c2c1 ZINC000299807606 EH Annotated Mild O=[N+]([O-])c1ccccc1C=NN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000299809234 EH Annotated Mild Cc1cc(=NN=Cc2ccccn2)c2cc(C(F)(F)F)ccc2[nH]1 ZINC000299809575 EH Annotated Mild CCOc1ccc2c(=NN=Cc3cccc(OC)c3)cc(C)[nH]c2c1 ZINC000299810685 EH Annotated Mild COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2CCCO[C@H]21 ZINC000299812226 EH Annotated Anodyne COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000299812227 EH Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2CCCO[C@H]21 ZINC000299812228 EH Annotated Anodyne COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 ZINC000299812229 EH Annotated Anodyne CCn1c(O)c(N=N/C(S)=N/C[C@H]2CCCO2)c2ccccc21 ZINC000299812888 EH Annotated Mild CCn1c(O)c(N=N/C(S)=N/C[C@@H]2CCCO2)c2ccccc21 ZINC000299812889 EH Annotated Mild NC(=S)N=Nc1c(O)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000299813095 EH Annotated Clean C=CC[C@H](O)C[C@@H]1[C@@H]2[C@H](OC(C)(C)C)[C@@H]3[C@@H]1[C@@H]3[C@H]2C[C@H](O)CC=C ZINC000299813136 EH Annotated Mild C=CC[C@H](O)C[C@@H]1[C@@H]2[C@H](OC(C)(C)C)[C@@H]3[C@@H]1[C@@H]3[C@H]2C[C@@H](O)CC=C ZINC000299813137 EH Annotated Mild C=CC[C@H](O)C[C@@H]1[C@H]2[C@H](C[C@@H](O)CC=C)[C@H]3[C@H]1[C@H]3[C@@H]2OC(C)(C)C ZINC000299813138 EH Annotated Mild C=CC[C@H](O)C[C@@H]1[C@H]2[C@H](C[C@H](O)CC=C)[C@H]3[C@H]1[C@H]3[C@@H]2OC(C)(C)C ZINC000299813139 EH Annotated Mild C=C(Br)CO[C@@H]1C=C[C@@H](c2ccccc2)O[C@H]1COC ZINC000299813959 EH Annotated Mild CCCC[C@]1(N=[N+]=[N-])C(=O)[C@H]2C=CC=C3c4ccccc4N(C1=O)[C@H]32 ZINC000299814496 EH Annotated Clean CCCC[C@]1(N=[N+]=[N-])C(=O)[C@@H]2C=CC=C3c4ccccc4N(C1=O)[C@H]32 ZINC000299814497 EH Annotated Clean O=C1c2ccccc2N2O[C@@]3(C[C@]12c1ccccc1)C(=O)[C@H]1CC[C@H]3C1 ZINC000299815055 EH Annotated Anodyne O=C1[C@H]2CC[C@@H](C2)[C@@]12C[C@@]1(c3ccccc3)C(=O)c3ccccc3N1O2 ZINC000299815058 EH Annotated Anodyne O=C1[C@H]2CC[C@@H](C2)[C@]12C[C@@]1(c3ccccc3)C(=O)c3ccccc3N1O2 ZINC000299815061 EH Annotated Anodyne CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@H](OCc1ccccc1)[C@H]2Br ZINC000299815290 EH Annotated Reactive CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@@H](OCc1ccccc1)[C@H]2Br ZINC000299815291 EH Annotated Reactive Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1 ZINC000299815995 EH Annotated Mild COc1cccc2c(NN=Cc3ccccc3[N+](=O)[O-])cc(C)nc12 ZINC000299817964 EH Annotated Mild O=c1c(-c2cccc3ccccc23)cc2c3c(ccc2n1O)OCO3 ZINC000299818571 EH Annotated Anodyne COc1ccc(/C=N/N=C(\N)C[C@H](O)c2ccc3ccccc3c2)cc1 ZINC000299819023 EH Annotated Mild COc1ccc(/C=N/N=C(\N)C[C@@H](O)c2ccc3ccccc3c2)cc1 ZINC000299819027 EH Annotated Mild O=C1[C@@H](c2ccc(O)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 ZINC000299819279 EH Annotated Anodyne COc1cc(Br)cc2cc(-c3ccc(O)cc3)c(=O)oc12 ZINC000299819297 EH Annotated Anodyne O=C(O)c1cc(C(=O)c2ccc(Br)cc2)n2ccccc12 ZINC000299819306 EH Annotated Anodyne CCc1ncccc1Oc1cc(CC(C)C)cnc1NC(=O)NC ZINC000299819656 EH Annotated Anodyne COc1cc(Br)cc2cc(-c3cccc(O)c3)c(=O)oc12 ZINC000299819947 EH Annotated Anodyne Cc1ccc(/C=N/N=C(\N)C[C@H](O)c2ccc3ccccc3c2)cc1 ZINC000299820480 EH Annotated Mild Cc1ccc(/C=N/N=C(\N)C[C@@H](O)c2ccc3ccccc3c2)cc1 ZINC000299820483 EH Annotated Mild C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)/C(=C/c3ccc(N)cc3)[C@@H]2CC1 ZINC000299820528 EH Annotated Anodyne CC[C@@H](C)c1nc2c(O)nc3c(OC)c(OC)cc4ccn1c2c43 ZINC000299820928 EH Annotated Bother CC[C@H](C)c1nc2c(O)nc3c(OC)c(OC)cc4ccn1c2c43 ZINC000299820935 EH Annotated Bother O=C1CS/C(=N/N=C\c2c[nH]c3ccccc23)N1Cc1ccccc1 ZINC000299821278 EH Annotated Mild Fc1ccc(CNc2nc(N3CCCCC3)nc3[nH]ccc23)cc1 ZINC000299821309 EH Annotated Anodyne O=C1[C@@H](c2ccccc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 ZINC000299821454 EH Annotated Anodyne Cn1c2ccccc2c2nnc(SCc3ccccc3C#N)nc21 ZINC000299821984 EH Annotated Mild COc1cc(CCCC/C=C/C(=O)N2CCCCC2)cc(OC)c1O ZINC000299822236 EH Annotated Anodyne Cc1ccc(/C=N/N=C(\N)C[C@H](O)c2cccc3ccccc23)cc1 ZINC000299822262 EH Annotated Mild Cc1ccc(/C=N/N=C(\N)C[C@@H](O)c2cccc3ccccc23)cc1 ZINC000299822264 EH Annotated Mild N/C(C[C@H](O)c1cccc2ccccc12)=N\N=C\c1ccc(F)cc1 ZINC000299822507 EH Annotated Mild N/C(C[C@@H](O)c1cccc2ccccc12)=N\N=C\c1ccc(F)cc1 ZINC000299822511 EH Annotated Mild O=[N+]([O-])c1ccc(N/N=C/c2cccc(Br)c2O)cc1 ZINC000299822764 EH Annotated Mild C/C(=N/N=C1/SCC(=O)N1Cc1ccccc1)c1cccs1 ZINC000299823095 EH Annotated Mild C[C@@]1(C(=O)O)CCC[C@@]2(C)C3=C(CC[C@H]12)[C@H]1OC[C@H](O)[C@@]1(C)CC3 ZINC000299823231 EH Annotated Anodyne O=c1[nH]c2ccc(-c3csc(-c4ccc(F)c(O)c4)n3)cc2o1 ZINC000299824178 EH Annotated Anodyne CC(C)[C@@H](NC(=S)NCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000299824375 EH Annotated Anodyne O=C1C=CC2(C=C1)OC(=O)C(c1ccc(F)cc1)=C2c1ccccc1 ZINC000299825064 EH Annotated Mild N/C(C[C@H](O)c1ccc2ccccc2c1)=N\N=C\c1ccc(F)cc1 ZINC000299825693 EH Annotated Mild N/C(C[C@@H](O)c1ccc2ccccc2c1)=N\N=C\c1ccc(F)cc1 ZINC000299825698 EH Annotated Mild C#CCCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(C)cc12 ZINC000299826380 EH Annotated Mild COc1ccc(-c2cc3c4ccccc4n(C(C)=O)c3nn2)cc1OC ZINC000299827065 EH Annotated Anodyne O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 ZINC000299827182 EH Annotated Anodyne CC(=O)Nc1ccccc1-c1cc2c3ccccc3n(C(C)=O)c2nn1 ZINC000299828245 EH Annotated Anodyne CC(C)(C)c1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1 ZINC000299828299 EH Annotated Anodyne C#CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccccc12 ZINC000299828540 EH Annotated Mild Cc1cc2c3cnccc3cc(CCc3nc4ccccc4n3C)n2n1 ZINC000299829056 EH Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OC)c(OC)c1C ZINC000299829214 EH Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)Cc3cc(OC(F)(F)F)ccc3N2)o1 ZINC000299829384 EH Annotated Anodyne Clc1ccc(Nc2nn3c(-c4ccncc4)nnc3s2)cc1 ZINC000299829457 EH Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1 ZINC000299829883 EH Annotated Anodyne C#CCCOC(=O)c1cc(C(=O)c2ccccc2)n2c(C)cccc12 ZINC000299830187 EH Annotated Mild O=C1C[C@H](c2noc3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000299830848 EH Annotated Anodyne O=C1C[C@@H](c2noc3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000299830850 EH Annotated Anodyne NC(=S)N/N=C/c1ccc(Sc2ccccc2C(F)(F)F)o1 ZINC000299831197 EH Annotated Mild O=C1C[C@@H](CCCCO)Oc2c(Br)cc(Cl)cc21 ZINC000299831976 EH Annotated Anodyne O=C1C[C@H](CCCCO)Oc2c(Br)cc(Cl)cc21 ZINC000299831978 EH Annotated Anodyne CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21 ZINC000299831988 EH Annotated Anodyne O=C(Cc1ccccc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O ZINC000299832440 EH Annotated Clean O=C(c1cccs1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O ZINC000299832502 EH Annotated Clean NC(=S)N/N=C/c1ccc(Sc2ccc(C(F)(F)F)cc2)o1 ZINC000299833116 EH Annotated Mild N#Cc1ccc(Cc2ccc3c(c2O)C(=O)c2sccc2C3=O)cc1 ZINC000299833893 EH Annotated Mild COc1ccc(OC)c(Oc2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000299833986 EH Annotated Anodyne CCOc1nc2ccc(OCCCOc3ccc(C#N)cc3)cc2o1 ZINC000299834596 EH Annotated Mild Fc1ccc(O[C@@H](CC2CNC2)c2ccc(F)c(F)c2)cc1F ZINC000299834637 EH Annotated Anodyne Fc1ccc(O[C@H](CC2CNC2)c2ccc(F)c(F)c2)cc1F ZINC000299834640 EH Annotated Anodyne C=CCc1cc(/C=C2\SC(=O)N(CCCC)C2=O)c(OC)cc1O ZINC000299836066 EH Annotated Mild NC(=S)N/N=C/c1ccc(Sc2cccc(C(F)(F)F)c2)o1 ZINC000299836563 EH Annotated Mild CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21 ZINC000299836596 EH Annotated Anodyne Cc1ncsc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1O ZINC000299836803 EH Annotated Anodyne Cc1ncsc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1O ZINC000299836805 EH Annotated Anodyne CC(C)[C@H]1CCc2ncc3c(c2C1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299836823 EH Annotated Mild CC(C)[C@@H]1CCc2ncc3c(c2C1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299836825 EH Annotated Mild O=C1c2cc(COc3ccccc3)nn2CC[C@@H]1c1ccc(F)cc1 ZINC000299838173 EH Annotated Anodyne O=C1c2cc(COc3ccccc3)nn2CC[C@H]1c1ccc(F)cc1 ZINC000299838174 EH Annotated Anodyne O=C1c2cc(OCc3ccccc3)nn2CC[C@H]1c1ccc(F)cc1 ZINC000299838216 EH Annotated Anodyne O=C1c2cc(OCc3ccccc3)nn2CC[C@@H]1c1ccc(F)cc1 ZINC000299838217 EH Annotated Anodyne CC1(C)C[C@@H](c2ccccc2)C(CN2C(=O)c3ccccc3C2=O)=NO1 ZINC000299838673 EH Annotated Anodyne O=C1Nc2ncccc2/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000299838711 EH Annotated Anodyne COc1c(/C=C/C(C)C)cc(C(=O)c2cccc(O)c2)c(O)c1O ZINC000299838804 EH Annotated Clean COc1ccccc1[C@H]1CCn2nc(COc3ccccc3)cc2C1=O ZINC000299838894 EH Annotated Anodyne COc1ccccc1[C@@H]1CCn2nc(COc3ccccc3)cc2C1=O ZINC000299838896 EH Annotated Anodyne COCOc1ccc2c(c1)O[C@@H](C1=CC[C@H]3C[C@H]1C3(C)C)CC2=O ZINC000299839229 EH Annotated Anodyne COCOc1ccc2c(c1)O[C@H](C1=CC[C@H]3C[C@H]1C3(C)C)CC2=O ZINC000299839232 EH Annotated Anodyne CN1c2cccc([N+](=O)[O-])c2[C@H]2C[C@H]1OC1=C2C(=O)CC(C)(C)C1 ZINC000299839513 EH Annotated Mild COc1ccc2c(c1)CC[C@H](NCCCc1ccccc1)C[C@H]2O ZINC000299840283 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@H](NCCCc1ccccc1)C[C@@H]2O ZINC000299840284 EH Annotated Anodyne COc1ccc2c(c1)CC[C@H](NCCCc1ccccc1)C[C@@H]2O ZINC000299840285 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@H](NCCCc1ccccc1)C[C@H]2O ZINC000299840286 EH Annotated Anodyne N#Cc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2O)cc1 ZINC000299840562 EH Annotated Mild N#Cc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2O)cc1 ZINC000299840566 EH Annotated Mild O=C(O)CCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299840590 EH Annotated Anodyne O=C(O)CCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299840591 EH Annotated Anodyne CC(C)[C@H]1CCC(=O)c2c1ncc1c2C(=O)C2=C(C1=O)[C@H]1CC[C@H]2C1 ZINC000299840694 EH Annotated Mild CC(C)[C@@H]1CCC(=O)c2c1ncc1c2C(=O)C2=C(C1=O)[C@H]1CC[C@H]2C1 ZINC000299840695 EH Annotated Mild CCC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21 ZINC000299840902 EH Annotated Anodyne O=C1C[C@H](CCCCCO)Oc2c(Br)cc(Cl)cc21 ZINC000299841191 EH Annotated Anodyne O=C1C[C@@H](CCCCCO)Oc2c(Br)cc(Cl)cc21 ZINC000299841192 EH Annotated Anodyne O=C1ON=C2C=C(c3cccs3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000299841386 EH Annotated Mild O=C1ON=C2C=C(c3cccs3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000299841387 EH Annotated Mild O=C1ON=C2C=C(c3cccs3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000299841388 EH Annotated Mild O=C1ON=C2C=C(c3cccs3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000299841389 EH Annotated Mild Fc1ccc(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@H]32)cc1 ZINC000299842424 EH Annotated Anodyne Cc1cc(C[C@H]2COC[C@@H]2NCc2ccc(Cl)c(Cl)c2)on1 ZINC000299843062 EH Annotated Anodyne Cc1cc(C[C@H]2CCC[C@@H]2NCc2c[nH]nc2-c2ccccc2)on1 ZINC000299843134 EH Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(CCC=C(C)CC[C@H]12)C(=O)O3 ZINC000299844132 EH Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(CCC=C(C)CC[C@@H]12)C(=O)O3 ZINC000299844133 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)C[C@H]3C=C(CCC=C(C)CC[C@@H]12)C(=O)O3 ZINC000299844134 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)C[C@H]3C=C(CCC=C(C)CC[C@H]12)C(=O)O3 ZINC000299844135 EH Annotated Mild CN1CCN(c2cc(/C=C/c3ccccc3)[n+](C)c3ccccc23)CC1 ZINC000299844572 EH Annotated Anodyne COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccccc3)c[n+]12 ZINC000299844646 EH Annotated Bother C[n+]1c(/C=C/c2ccc(N3CCOCC3)cc2)ccc2ccccc21 ZINC000299844687 EH Annotated Clean Cc1cc(O)nc(N=N/C(=N/Nc2ccc(O)cc2)c2ccccc2)n1 ZINC000299846697 EH Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccccc1C#N ZINC000299847295 EH Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1cccc(C#N)c1 ZINC000299847307 EH Annotated Mild COC(=O)c1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000299847710 EH Annotated Clean Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)OCCO2 ZINC000299847809 EH Annotated Clean CN1c2ccccc2C(=O)NN(c2ccccc2)[C@H]1c1ccccc1 ZINC000299848702 EH Annotated Anodyne CN1c2ccccc2C(=O)NN(c2ccccc2)[C@H]1c1ccc(O)cc1 ZINC000299848767 EH Annotated Anodyne CC(=O)N(C)c1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000299849348 EH Annotated Clean CC1(C)COC(c2ccc(O[C@@H]3C[C@@H](N4CCCCC4)C3)cc2)=N1 ZINC000299849364 EH Annotated Anodyne Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2ncsc2c1 ZINC000299849368 EH Annotated Clean O[C@H](C[C@H]1CCCCN1)[C@H]1CC=Nc2c1cccc2C(F)(F)F ZINC000299849548 EH Annotated Anodyne CC[C@@H]1[C@H](C)[C@@H](Cc2ccc(C(=O)NC(=N)N)cc2)CCC1(C)C ZINC000299849798 EH Annotated Anodyne CC(C)CC(=O)N1CC(=O)c2sc(Nc3ccc(F)cc3)nc2C1 ZINC000299849826 EH Annotated Anodyne c1cc(-c2cn3nccc3nc2C2CCCCC2)nc(N2CCCC2)n1 ZINC000299849885 EH Annotated Anodyne CN(CCc1ccccc1)Cc1cnc([C@]2(C)CCCCO2)nc1 ZINC000299850722 EH Annotated Anodyne CN(CCc1ccccc1)Cc1cnc([C@@]2(C)CCCCO2)nc1 ZINC000299850723 EH Annotated Anodyne Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000299850810 EH Annotated Anodyne Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000299850811 EH Annotated Anodyne CC(C)N1CCC(Cc2cc(-c3ccccc3C(=O)O)ncn2)CC1 ZINC000299850830 EH Annotated Anodyne Cc1cc(-c2ccccc2C(=O)O)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000299850950 EH Annotated Anodyne Cc1cc(-c2ccccc2C(=O)O)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000299850952 EH Annotated Anodyne O=C1CCNc2ncc(-c3ccc(Cl)cc3)cc2CN1C1CC1 ZINC000299852704 EH Annotated Anodyne O=C1CCNc2ncc(-c3cccc(Cl)c3)cc2CN1C1CC1 ZINC000299852776 EH Annotated Anodyne O=C1CCNc2ncc(-c3ccccc3Cl)cc2CN1C1CC1 ZINC000299852912 EH Annotated Anodyne CCN(CC)C(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1 ZINC000299853008 EH Annotated Anodyne O=C(O)CCCCNCCCC(O)(c1ccccc1)c1ccccc1 ZINC000299854498 EH Annotated Anodyne COc1ccc(-c2cc(-c3ccc4c(c3)N(C(C)C)C4=O)on2)cn1 ZINC000299854644 EH Annotated Anodyne CSc1nccc(N2CCC(N(C)Cc3ccc(C)cc3)CC2)n1 ZINC000299854683 EH Annotated Anodyne O=C1C[C@H](Sc2ccc(F)c(F)c2)N1C(=O)NCc1ccccc1 ZINC000299855599 EH Annotated Anodyne O=C1C[C@@H](Sc2ccc(F)c(F)c2)N1C(=O)NCc1ccccc1 ZINC000299855600 EH Annotated Anodyne CN(C)CCCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21 ZINC000299855848 EH Annotated Bother COc1ccc([C@@H]2CCc3c(OC)ccc(OC)c3C2=O)c(OC)c1 ZINC000299855977 EH Annotated Anodyne COc1ccc([C@H]2CCc3c(OC)ccc(OC)c3C2=O)c(OC)c1 ZINC000299855978 EH Annotated Anodyne COc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cn1 ZINC000299856486 EH Annotated Anodyne Oc1ccc(/C=N/NC2=NC3=C(CCCC3)[C@H](c3ccccc3)N2)cc1 ZINC000299856520 EH Annotated Mild Oc1ccc(/C=N/NC2=NC3=C(CCCC3)[C@@H](c3ccccc3)N2)cc1 ZINC000299856523 EH Annotated Mild Cc1cc2nc(/C=C/c3ccccc3)n(S(C)(=O)=O)c2cc1C ZINC000299856848 EH Annotated Anodyne CNc1nc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1 ZINC000299857834 EH Annotated Anodyne CCCc1cnc(-n2nc(OCC)c(Cc3ccccc3)c2C)nc1 ZINC000299858318 EH Annotated Anodyne N#Cc1cnc2cc(C3CC3)nn2c1Nc1cccc2cccnc12 ZINC000299859198 EH Annotated Mild CC(C)N1Cc2cc(-c3cc(-c4cccnc4F)no3)ccc2C1=O ZINC000299859286 EH Annotated Anodyne CNCc1cc(-c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)o1 ZINC000299859911 EH Annotated Anodyne Cc1cc(O)c(C(=O)C2=NNC[C@@H]2c2ccccc2)c(C)c1Cl ZINC000299860338 EH Annotated Anodyne Cc1cc(O)c(C(=O)C2=NNC[C@H]2c2ccccc2)c(C)c1Cl ZINC000299860340 EH Annotated Anodyne COc1ccc(OC)c(-c2nnc(NCc3ccccc3)s2)c1 ZINC000299860619 EH Annotated Anodyne C[C@](O)(c1ccc(OC(F)(F)F)cc1)c1ncnc2ccccc12 ZINC000299860792 EH Annotated Anodyne C[C@@](O)(c1ccc(OC(F)(F)F)cc1)c1ncnc2ccccc12 ZINC000299860793 EH Annotated Anodyne CCCOc1nc([C@@](C)(O)c2ccc(OC)cc2)c2ccccc2n1 ZINC000299861543 EH Annotated Anodyne CCCOc1nc([C@](C)(O)c2ccc(OC)cc2)c2ccccc2n1 ZINC000299861544 EH Annotated Anodyne C[C@@H]1CCCc2c1nc1[nH]c(=S)nc(N)c1c2-c1cccn1C ZINC000299861770 EH Annotated Anodyne C[C@H]1CCCc2c1nc1[nH]c(=S)nc(N)c1c2-c1cccn1C ZINC000299861771 EH Annotated Anodyne COc1cccc(-c2cccc3c2Cc2c-3nc(O)c3nccn23)c1 ZINC000299862996 EH Annotated Anodyne CN(C)[C@@H](S)SCc1cc(=O)oc2c1ccc1ccccc12 ZINC000299863033 EH Annotated Mild CN(C)[C@H](S)SCc1cc(=O)oc2c1ccc1ccccc12 ZINC000299863034 EH Annotated Mild CCNc1nccc(NCc2sc(-c3ccccc3)nc2C)n1 ZINC000299863948 EH Annotated Anodyne O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1Cl ZINC000299863951 EH Annotated Bother C=C(C(=O)c1ccc(OC)cc1)[C@H](OC(C)=O)c1ccccc1F ZINC000299865524 EH Annotated Mild C=C(C(=O)c1ccc(OC)cc1)[C@@H](OC(C)=O)c1ccccc1F ZINC000299865525 EH Annotated Mild O=C(O)c1cc2c([nH]c3ccccc32)c(-c2cccc3c2OCO3)n1 ZINC000299865890 EH Annotated Anodyne C=CCn1c2c(n3ccnc3c1=O)Cc1c(-c3ccccc3)cccc1-2 ZINC000299865950 EH Annotated Mild CCCC(=O)N1C/C(=C\c2ccco2)C(=O)/C(=C/c2ccco2)C1 ZINC000299866745 EH Annotated Mild CN1CCN(C2(c3ccc(F)cc3)C3CC4CC(C3)CC2C4)CC1 ZINC000299868035 EH Annotated Anodyne CCOC(=O)/C=C/c1cc(O)c(O)cc1-c1cc2cccc(O)c2o1 ZINC000299868160 EH Annotated Clean CCCCOc1cccc2cc(C(=O)NC(CC)CC)c(=O)oc12 ZINC000299868573 EH Annotated Anodyne O=[N+]([O-])c1c[nH]nc1-c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC000299868947 EH Annotated Bother Fc1ccc2c(c1)nc1n2CCOc2ccc(Br)cc2-1 ZINC000299869177 EH Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(SC)nc3ccccc23)cc1 ZINC000299870275 EH Annotated Anodyne COc1ccc([C@](C)(O)c2nc(SC)nc3ccccc23)cc1 ZINC000299870276 EH Annotated Anodyne CNCc1cc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1 ZINC000299870440 EH Annotated Anodyne Oc1cc(-c2cc3cc(Br)cc(O)c3o2)cc(O)c1O ZINC000299870590 EH Annotated Clean NNC(=O)c1cc(C2CCC(C(F)(F)F)CC2)c2ccccc2n1 ZINC000299870739 EH Annotated Reactive CC1(C)Cc2c(-c3cc4ccccc4s3)n[nH]c2[C@H](C(N)=O)C1 ZINC000299871246 EH Annotated Anodyne CC1(C)Cc2c(-c3cc4ccccc4s3)n[nH]c2[C@@H](C(N)=O)C1 ZINC000299871247 EH Annotated Anodyne CC(C)(C)c1cc(Nc2nc(N3CCCCC3)nc3c2CCC3)n[nH]1 ZINC000299871564 EH Annotated Anodyne C=CCc1ccc(OCc2cn(-c3ccccc3Cl)nn2)c(O)c1 ZINC000299871582 EH Annotated Mild CCCCOc1cccc2cc(C(=O)N[C@H](C)CCC)c(=O)oc12 ZINC000299871654 EH Annotated Anodyne CCCCOc1cccc2cc(C(=O)N[C@@H](C)CCC)c(=O)oc12 ZINC000299871655 EH Annotated Anodyne O=C(N[C@H](CO)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000299872022 EH Annotated Anodyne CCOc1nn(-c2ncc(CC)c(C)n2)c(C)c1Cc1ccccc1 ZINC000299872085 EH Annotated Anodyne CNc1cc([N+](=O)[O-])ccc1N=C/C=C(\O)c1ccc2c(c1)OCO2 ZINC000299872414 EH Annotated Mild C[C@@H]1[C@@H](NC(=O)Cn2cccc2C(=O)c2ccccc2)CCC[C@H]1C ZINC000299872692 EH Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1cccc1C(=O)c1ccccc1 ZINC000299872693 EH Annotated Anodyne O=C(C[C@@H](c1ccccc1)c1ccccc1F)N[C@@H]1CC[C@@H](O)CC1 ZINC000299872922 EH Annotated Anodyne O=C(C[C@H](c1ccccc1)c1ccccc1F)N[C@@H]1CC[C@@H](O)CC1 ZINC000299872923 EH Annotated Anodyne Cc1cnc(N2CCC[C@H]2C)nc1NCCCN(C)c1ccccc1 ZINC000299873849 EH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299876261 EH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299876262 EH Annotated Anodyne CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@H]3C)ncc2C)C1 ZINC000299876991 EH Annotated Anodyne CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@H]3C)ncc2C)C1 ZINC000299876992 EH Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1N[C@@H](C)c1ccc(F)cc1 ZINC000299882298 EH Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1N[C@H](C)c1ccc(F)cc1 ZINC000299882299 EH Annotated Anodyne CC1=C[C@]2(CC[C@H](C)C[C@@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O ZINC000003030382 EH Annotated Anodyne C=CCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2 ZINC000003060493 EH Annotated Mild COc1ccccc1[C@@H]1N[C@@H](c2ccccc2OC)[C@@H](C)C(=O)[C@@H]1C ZINC000003065919 EH Annotated Anodyne COP(=O)(OC)[C@H](Nc1ccc(C(=O)O)cc1)c1ccccc1 ZINC000003092820 EH Annotated Anodyne COP(=O)(OC)[C@@H](Nc1ccc(C(=O)O)cc1)c1ccccc1 ZINC000003092821 EH Annotated Anodyne CP(=O)(COC(=O)c1ccccc1)COC(=O)c1ccccc1 ZINC000003105915 EH Annotated Anodyne Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Cl)=C3Cl)cc1 ZINC000003148853 EH Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)OC(C)(C)C ZINC000003173246 EH Annotated Reactive Cn1cccc1[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000003182036 EH Annotated Anodyne Cn1cccc1[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000003182038 EH Annotated Anodyne N#CC1=C2SC=C(c3ccc(Br)cc3)N2CCCC1=O ZINC000003193833 EH Annotated Reactive Oc1ccccc1/C=N/n1cnn(Cc2ccccc2Cl)c1=S ZINC000003197415 EH Annotated Mild CNc1ccc(OC)cc1-c1nc2cc3ccccc3cc2n(C)c1=O ZINC000003201333 EH Annotated Bother O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccc1F ZINC000003208601 EH Annotated Reactive O=C(/C(=N\N=C\c1ccc(O)c(O)c1)c1ccccc1)c1ccccc1 ZINC000003232483 EH Annotated Mild Oc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1O ZINC000003233174 EH Annotated Mild C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000003235001 EH Annotated Reactive COC(=O)CCc1c(C)c(C(=O)c2ccc(F)cc2)c2ccccn12 ZINC000003249604 EH Annotated Anodyne COc1ccccc1-c1csc(Cc2nnc3n2CCCCC3)n1 ZINC000003257398 EH Annotated Anodyne O=C(OCc1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])o1 ZINC000003264424 EH Annotated Bother O=C(c1ccc2c(c1)OCCO2)N(c1ccccn1)C1CCCCC1 ZINC000003265360 EH Annotated Anodyne CCOC(=O)N/N=C/c1c(C)nn(-c2ccccc2Cl)c1Cl ZINC000003275375 EH Annotated Reactive S=C(N[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003285559 EH Annotated Anodyne Cc1cc(C)c2c(c1)/C(=N/N=c1/sc3ccccc3n1C)C(O)=N2 ZINC000003292200 EH Annotated Mild N#CCCN(C(=S)NC(=O)C1CCCCC1)c1ccccc1F ZINC000003313633 EH Annotated Mild O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1cccnc1 ZINC000003335319 EH Annotated Reactive Cc1cccc2cncc(OCc3nnc(SC(F)F)n3C)c12 ZINC000003353361 EH Annotated Anodyne CCCCC[C@@H]1C=C[C@H]2[C@H](CC=CCCCC(=O)O1)[C@@H](O)C[C@H]2O ZINC000306147169 EH Annotated Anodyne CCCCC[C@@H]1C=C[C@H]2[C@H](CC=CCCCC(=O)O1)[C@H](O)C[C@H]2O ZINC000306147170 EH Annotated Anodyne CCCCC[C@@H]1C=C[C@@H]2[C@H](O)C[C@@H](O)[C@@H]2CC=CCCCC(=O)O1 ZINC000306147171 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC(C)=CC(=O)[C@]2(C)CC[C@](O)(C(C)C)[C@H]12 ZINC000306147406 EH Annotated Mild CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@H]2[C@@H]1CO[Si](C)(C)C(C)(C)C ZINC000306147428 EH Annotated Reactive Cc1cc2[nH]c(CC(C)(C)CC(=O)O)nc2cc1Br ZINC000308432692 EH Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 ZINC000031156983 EH Annotated Anodyne in-vitro biogenic C=C[C@]1(C)CC[C@@H]([C@@H](C)C(=O)OC/C(C)=C\CC[C@@](C)(O)C=C)O1 ZINC000031159456 EH Annotated Anodyne C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)OC/C(C)=C\CC[C@@](C)(O)C=C)O1 ZINC000031159464 EH Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(C=O)=CCC[C@@H]2[C@@]1(C)CC/C(=C/C(=O)O)CO ZINC000031162562 EH Annotated Reactive C=CCC/C=C/C#CC#CCCCCCC[C@H]1C(=O)O[C@@H](C)[C@@H]1O ZINC000031169287 EH Annotated Mild CC(C)[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000031318545 EH Annotated Anodyne CC(C)[C@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000031318553 EH Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@@H]1C(C)(C)CCC[C@@]21C ZINC000031343520 EH Annotated Mild Brc1cccc2[nH]c([C@@H]3COc4ccccc4O3)nc12 ZINC000312763538 EH Annotated Anodyne COc1ccc(Cc2nc3c(Br)cccc3[nH]2)cc1OC ZINC000313772368 EH Annotated Anodyne C=C1[C@H](O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@H]45)[C@@H]2CC[C@@H]1C3 ZINC000031555048 EH Annotated Mild in-vitro biogenic COc1ccc(/C=C2/CC[C@@H]3[C@@H](CCCC34OCCO4)C2=O)cc1 ZINC000031719289 EH Annotated Mild COc1ccc(/C=C2/CC[C@H]3[C@@H](CCCC34OCCO4)C2=O)cc1 ZINC000031719290 EH Annotated Mild CCN1CC[C@@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 ZINC000031842201 EH Annotated Anodyne CC1(C)[C@@H]2CC(=O)[C@@]1(C)[C@@H](OCc1ccccc1)[C@@H]2Br ZINC000031852550 EH Annotated Reactive CN1CCc2c3n(c4cc(Br)ccc24)[C@H](O)CCC[C@@H]31 ZINC000031853420 EH Annotated Anodyne CN1CCc2c3n(c4cc(Br)ccc24)[C@H](O)CCC[C@H]31 ZINC000031853422 EH Annotated Anodyne CCN(/C=C1/C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O)CC ZINC000031853702 EH Annotated Mild O=[N+]([O-])/C(Cl)=C/C(=C(\Cl)SCc1ccccc1)[N+](=O)[O-] ZINC000031870610 EH Annotated Anodyne CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1CN1CCCCC1 ZINC000031872391 EH Annotated Anodyne O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 ZINC000031872557 EH Annotated Reactive C/C1=C/CC[C@@]2(C)O[C@@H]2C[C@@H]2[C@H](C/C(C)=C\CC1)OC(=O)[C@]21CO1 ZINC000031894929 EH Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2C[C@@H]2[C@H](C/C(C)=C/CC1)OC(=O)[C@]21CO1 ZINC000031894932 EH Annotated Anodyne C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)CCC/C(C)=C\CC[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000031895787 EH Annotated Mild COc1cc2c(cc1OC)[C@@H]1C=N[C@H](C2)c2cc(OC)c(OC)cc21 ZINC000031896292 EH Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C=N[C@@H](C2)c2cc(OC)c(OC)cc21 ZINC000031896295 EH Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]1O[C@H]2[C@H](C)CC/C=C(/C)CCC[C@@]1(C)O ZINC000031896664 EH Annotated Mild CCOC(=O)[C@@]1(C/C=C\CBr)CCCCCCC1=O ZINC000031898812 EH Annotated Reactive CCOC(=O)[C@]1(C/C=C\CBr)CCCCCCC1=O ZINC000031898816 EH Annotated Reactive O=C1Nc2cccc(Cl)c2/C1=C\c1c(Cl)nc2n1CCS2 ZINC000031905368 EH Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC ZINC000317019652 EH Annotated Anodyne O=C1OCc2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4 ZINC000032064395 EH Annotated Anodyne COc1cccc(F)c1[C@@H]1SCC(=O)N1c1cc(C)cc(C)n1 ZINC000032138720 EH Annotated Anodyne COc1cccc(F)c1[C@H]1SCC(=O)N1c1cc(C)cc(C)n1 ZINC000032138721 EH Annotated Anodyne CC[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C)[C@@H]4CC1)[C@@H]32 ZINC000032151272 EH Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)OC ZINC000032167727 EH Annotated Mild CC[C@]12C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000032275064 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3C(=O)C[C@@H]21 ZINC000032286565 EH Annotated Anodyne C[C@H]1COc2c1cc1c(c2O)[C@@]23CCCC(C)(C)[C@@H]2C[C@@H]1OC3=O ZINC000032296317 EH Annotated Anodyne C[C@@H](CCO)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C ZINC000032296348 EH Annotated Anodyne C=C1CC[C@@H]2[C@@]3(C)CCC[C@@]2(C(=O)OC3)[C@@H]1CCC1=CCOC1=O ZINC000032297065 EH Annotated Mild C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C(=O)OC)[C@@]2(O)CC1 ZINC000032302227 EH Annotated Mild CC[C@@H]1OC(=O)CCCC/C=C\C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O ZINC000032303225 EH Annotated Reactive C#C/C=C\[C@H](Cl)[C@@H]1[C@@H]2/C(=C(/Br)CC)O[C@@H]3C[C@H]1O[C@H]23 ZINC000032303226 EH Annotated Reactive in-vitro biogenic CCc1n[nH]c2c1CN(C(=O)/C(=C/c1ccco1)c1ccccc1)CC2 ZINC000032507831 EH Annotated Anodyne CCc1n[nH]c2c1CN(C(=O)c1cccc(-c3ccc(C)o3)c1)CC2 ZINC000032561768 EH Annotated Anodyne C#CC/N=C(\O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000032678814 EH Annotated Mild CCCC/N=C(\S)N(C)/N=C/c1cc(Br)ccc1F ZINC000033043994 EH Annotated Mild O=C(N/N=C\C(Br)=C/c1ccccc1)c1cccs1 ZINC000033285618 EH Annotated Reactive CCN(CC)c1ccc(/C=N\N=C(\S)NCc2ccco2)cc1 ZINC000033291420 EH Annotated Mild O=C(O)c1nn(-c2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21 ZINC000033293410 EH Annotated Anodyne O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1ccco1 ZINC000033304858 EH Annotated Reactive Cc1ccc2c(Cl)c(C(=O)N/N=C\c3cccn3C)sc2c1 ZINC000033314070 EH Annotated Reactive O=S(=O)(O/N=C1/CCCc2sc(Cl)cc21)c1ccccc1 ZINC000033388166 EH Annotated Mild CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4C[C@H]4O[C@]43[C@@H]1O2 ZINC000033495862 EH Annotated Anodyne CN(C)c1cccc(C(=O)N/N=C2/CCSc3ccc(F)cc32)c1 ZINC000033503848 EH Annotated Reactive Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)n1 ZINC000033504926 EH Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)n1 ZINC000033504928 EH Annotated Anodyne Cc1ccc(-c2cs/c(=N\N=C/c3ccc4c(c3)OCO4)[nH]2)cc1 ZINC000033527337 EH Annotated Mild O=C(CSc1nc2ccccc2o1)N/N=C\C=C\c1ccccc1 ZINC000033598393 EH Annotated Reactive CC1(C)C=C(C(=O)NC(c2ccccc2)c2ccccc2)C(C)(C)N1 ZINC000033611330 EH Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cccc(C(F)(F)F)c1)NCC2 ZINC000033636300 EH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)NCC2 ZINC000033636302 EH Annotated Anodyne O=C1NCc2ccccc2OCCC/C=C\c2cncc3ccc1nc23 ZINC000033817210 EH Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1OCCCl ZINC000033828961 EH Annotated Reactive O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1OCCCl ZINC000033828963 EH Annotated Reactive CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C\CO)CC[C@H]1O ZINC000033829928 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(CO)C[C@@]3(CC[C@@H]12)CC4=O ZINC000033830118 EH Annotated Anodyne in-vitro biogenic CC1(C)C(=O)C(O)=C[C@]2(C)[C@@H]1CC=C1C[C@@](C)([C@H](O)CO)CC[C@@]12C ZINC000033831275 EH Annotated Mild in-vitro biogenic COC1=C(C(C)C)C(=O)C2=C(O)C(=O)C3=C(C=CCC3(C)C)C2=C1 ZINC000033831799 EH Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1CCC2=CC(=O)C(C(C)(C)O)=C[C@]2(C)[C@H]1C ZINC000033833280 EH Annotated Mild in-vitro biogenic COc1c(C(C)C)cc(O)c2c1CC[C@@H]1[C@]2(C)CCC(=O)[C@@]1(C)CO ZINC000033834110 EH Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)OC/C(=C/CO)CC[C@H]1O ZINC000033844173 EH Annotated Anodyne CCOC1=C/C(=C/NN=C2c3ccccc3-c3ccccc32)C=CC1=O ZINC000033848960 EH Annotated Mild CCCCCC1=C2CN[C@@](CC(C)C)(C(=O)OC)C=C2[C@H](C)C1=O ZINC000033913665 EH Annotated Mild CCCCCC1=C2CN[C@](CC(C)C)(C(=O)OC)C=C2[C@@H](C)C1=O ZINC000033913666 EH Annotated Mild CN1C/C(=C\c2cccs2)C2=NN(C)[C@@H](c3cccs3)[C@H]2C1 ZINC000033917371 EH Annotated Anodyne CN1C/C(=C\c2cccs2)C2=NN(C)[C@@H](c3cccs3)[C@@H]2C1 ZINC000033917372 EH Annotated Anodyne CCCOCCCNC(=S)Nc1ccc(F)cc1Br ZINC000033929391 EH Annotated Anodyne Cc1cc(-c2ccccc2)n(-c2cc(N/N=C\c3ccco3)ncn2)n1 ZINC000033929810 EH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC/C=C(\C)CC[C@H]2O ZINC000033955035 EH Annotated Mild CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O ZINC000033982440 EH Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(CC/C=C(\C)CC[C@H]12)C(=O)O3 ZINC000033985666 EH Annotated Mild in-vitro biogenic COc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F ZINC000033997310 EH Annotated Anodyne COc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F ZINC000033997311 EH Annotated Anodyne CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccc(Cl)cc1S2 ZINC000033997437 EH Annotated Mild CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccc(Cl)cc1S2 ZINC000033997438 EH Annotated Mild Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccnc3)N2)cc1 ZINC000034005901 EH Annotated Anodyne COc1ccc2c(c1N)CCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000034007802 EH Annotated Anodyne CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 ZINC000034020312 EH Annotated Reactive CCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 ZINC000034020313 EH Annotated Reactive CCc1nn(CCO)c(CC)c1Cc1cc(Cl)cc(Cl)c1 ZINC000034028527 EH Annotated Anodyne COc1cccc(-c2c(C#N)c(=O)oc3c2ccc2c3ccn2C)c1 ZINC000034028705 EH Annotated Mild CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](C2)OC3=O ZINC000034032913 EH Annotated Clean O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2sc(Cl)cc2c1 ZINC000034054432 EH Annotated Anodyne c1ccc2[nH]c(CSc3nnc(-c4ccncc4)s3)nc2c1 ZINC000034058845 EH Annotated Anodyne CCOC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 ZINC000034058934 EH Annotated Clean CCOC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000034058935 EH Annotated Clean CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)C(=O)C2=CO1 ZINC000034073633 EH Annotated Mild C#C/C=C\C[C@H]1O/C(=C(/Br)CC)[C@H](O)C=CC[C@H]1Cl ZINC000034075183 EH Annotated Reactive CCc1c(C)[nH]c(=O)c(N(C)CC)c1Cc1cccc(/C=C/C#N)c1 ZINC000034081156 EH Annotated Reactive CN(C[C@@H]1C[C@@]1(CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000034093339 EH Annotated Anodyne Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1C ZINC000034093929 EH Annotated Anodyne CCCCC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 ZINC000034094036 EH Annotated Anodyne CC1=CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C(=O)O)C1 ZINC000034114551 EH Annotated Anodyne COc1ccc(-c2ccccc2[C@@H]2N[C@H](C(=O)O)CC[C@H]2C)cc1 ZINC000034148399 EH Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]1C(=O)C[C@H](C)CCC/C(C)=C\CC[C@@]2(C)O ZINC000034171885 EH Annotated Mild C=C1C(=O)O[C@H]2C[C@@H]1C(=O)C[C@@H](C)CCC/C(C)=C\CC[C@@]2(C)O ZINC000034171887 EH Annotated Mild C[C@@H](CC[C@@]1(C)C(=O)CC[C@H]2O[C@]21C)[C@H]1C[C@@H](c2ccoc2)OC1=O ZINC000034172591 EH Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@]3(C)CC[C@]2(OC3=O)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000034172595 EH Annotated Anodyne CC1=CN([C@@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@H]12 ZINC000034235517 EH Annotated Anodyne C[C@]1(C(=O)O)COC(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000034256191 EH Annotated Anodyne Cc1cc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2s1 ZINC000034279887 EH Annotated Anodyne COc1cc2c(cc1N)C(c1cc(OC)c(OC)c(OC)c1)=CCC2 ZINC000034280639 EH Annotated Anodyne C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCCC(C)(C)C1=C(O)C3=O ZINC000034302898 EH Annotated Mild C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CC[C@H]2C[C@@]2(C)[C@@H]1CC3=O ZINC000034302899 EH Annotated Anodyne CC(C)C[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 ZINC000034319174 EH Annotated Anodyne COC(=O)[C@@]1(CCc2ccoc2)[C@H]2CC(=O)C=C(C)[C@H]2CC[C@H]1C ZINC000034326927 EH Annotated Mild CC(C)CCC[C@H](C)CCCC1(C)O[C@H]([C@@H](C)O)[C@@H]([C@@H](C)O)O1 ZINC000034329455 EH Annotated Anodyne CCCCC/C=C\C[C@H](O)/C=C/[C@H](O)[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 ZINC000034353250 EH Annotated Anodyne CCCCC/C=C\C[C@@H](O)/C=C/[C@H](O)[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 ZINC000034353252 EH Annotated Anodyne CCCCC/C=C\C[C@H](O)/C=C/[C@@H](O)[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 ZINC000034353258 EH Annotated Anodyne C[C@H]1C(=O)O[C@@H]2OC(=O)[C@@H]3CCC([C@@]4(C)CCCC(C)(C)C4)=C1[C@H]23 ZINC000034361176 EH Annotated Anodyne COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N=C(C)[C@H]2C#N)ccc1O ZINC000034364651 EH Annotated Mild CCSc1c(C)on(C(=O)N(c2ccc(C#N)cc2)C(C)C)c1=O ZINC000034430394 EH Annotated Mild CC1=C2C=C3CC[C@@H]4C(C)(C)C(=O)C(O)=C[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000034467799 EH Annotated Mild C=C(CC(=O)O)C(=O)C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(=C)[C@H](O)CC[C@H]12 ZINC000034495019 EH Annotated Mild CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)OCC)C1CC(C)=O ZINC000034513001 EH Annotated Anodyne C=C1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)OC)CCC[C@]21C ZINC000034547570 EH Annotated Mild CC(C)[C@@]1([C@H]2C(=O)CC[C@H]3[C@@](C)(C=O)CCC[C@]23C)CCC(=O)O1 ZINC000034568032 EH Annotated Mild in-vitro biogenic COC(=O)[C@@]1(C)CCC[C@]2(C)C3=CC(=O)O[C@H](C(C)C)C3=CC[C@@H]12 ZINC000034568042 EH Annotated Anodyne C[C@H](CCO)CC[C@@H]1C(C(=O)O)=CC[C@H]2C(C)(C)[C@H](O)CC[C@@]12C ZINC000034579783 EH Annotated Anodyne C[C@H](CCO)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C ZINC000034579785 EH Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]3O[C@]3(C)C(=O)C[C@@H]12 ZINC000034602246 EH Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]3O[C@@]3(C)C(=O)C[C@@H]12 ZINC000034602248 EH Annotated Mild CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 ZINC000034602350 EH Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CC[C@@H](c1ccccc1C)O3 ZINC000034602435 EH Annotated Anodyne O=S(=O)(/C=C/c1ccccc1)/N=C(\O)c1ccc(F)cc1Cl ZINC000034602684 EH Annotated Mild CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000034610155 EH Annotated Anodyne CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]ncc3c1C2=O ZINC000034633839 EH Annotated Mild Cc1nc(C)c(Cn2nnnc2-c2cccc(Cl)c2Cl)s1 ZINC000034634543 EH Annotated Anodyne COc1ccc(CN2CC(O)=C(Sc3ccccc3)C2=O)cc1 ZINC000034640245 EH Annotated Anodyne S=C(N/N=C/c1ccc(Cl)cc1)Nc1ncc(C2CCC2)o1 ZINC000034640417 EH Annotated Mild COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc21 ZINC000034640451 EH Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 ZINC000034640599 EH Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000034646397 EH Annotated Mild in-vitro O=C1Cc2nncn2-c2ccc(Cl)cc2N1c1ccccc1Cl ZINC000034647069 EH Annotated Anodyne CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@H]1CCCCNC1=O ZINC000034647181 EH Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C[C@@H]3OC3(C)C)COC(=O)[C@@H]12 ZINC000034649186 EH Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)COC(=O)[C@@H]12 ZINC000034649187 EH Annotated Mild CC(=O)c1cccc(CSc2nc3ccccc3n2CC(=O)O)c1 ZINC000034659078 EH Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC/C=C(\C)CC[C@@H]2O ZINC000034721824 EH Annotated Mild COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23COC(=O)[C@H]13 ZINC000034746130 EH Annotated Anodyne CCCCCCCCCCCC[C@@H]1C(=O)O[C@]2(CO)CC(=O)O[C@H]12 ZINC000034800357 EH Annotated Mild O=C1Nc2ccc(Br)cc2[C@@]12C[C@H]2COc1ccccc1 ZINC000034817234 EH Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@]12C[C@@H]2COc1ccccc1 ZINC000034817236 EH Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12C[C@H]2COc1ccccc1 ZINC000034817237 EH Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12C[C@@H]2COc1ccccc1 ZINC000034817239 EH Annotated Anodyne Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCC2)c1 ZINC000034819352 EH Annotated Anodyne CCOC(=O)[C@@]12C[C@]1(C1CCCC1)c1cc(Cl)ccc1NC2=O ZINC000034821494 EH Annotated Anodyne CCOC(=O)[C@]12C[C@@]1(C1CCCC1)c1cc(Cl)ccc1NC2=O ZINC000034821496 EH Annotated Anodyne C=CCOC(=O)[C@]12C[C@@]1(CCCC)c1cc(Cl)ccc1NC2=O ZINC000034821519 EH Annotated Mild C=CCOC(=O)[C@@]12C[C@]1(CCCC)c1cc(Cl)ccc1NC2=O ZINC000034821521 EH Annotated Mild CCCC[C@@]12C[C@]1(C(=O)OCCC#N)C(=O)Nc1ccc(Cl)cc12 ZINC000034821522 EH Annotated Mild CCCC[C@]12C[C@@]1(C(=O)OCCC#N)C(=O)Nc1ccc(Cl)cc12 ZINC000034821524 EH Annotated Mild CCCC[C@@]12C[C@]1(C(=O)NC(C)C)C(=O)Nc1ccc(Cl)cc12 ZINC000034821552 EH Annotated Anodyne CCCC[C@]12C[C@@]1(C(=O)NC(C)C)C(=O)Nc1ccc(Cl)cc12 ZINC000034821554 EH Annotated Anodyne CCCC[C@@]12C[C@]1(C(=O)N(C)CC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821576 EH Annotated Anodyne CCCC[C@]12C[C@@]1(C(=O)N(C)CC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821578 EH Annotated Anodyne CCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12 ZINC000034849608 EH Annotated Anodyne Cc1sc2nc(-c3ccccc3Cl)n(CC#N)c(=O)c2c1C ZINC000034855405 EH Annotated Anodyne CCOCCCN1C(=O)CC[C@@]1(C)/C(O)=N/C1CCCCCCC1 ZINC000034861202 EH Annotated Mild CCOCCCN1C(=O)CC[C@]1(C)/C(O)=N/C1CCCCCCC1 ZINC000034861205 EH Annotated Mild NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(Cl)c1 ZINC000034872906 EH Annotated Anodyne CC1=CC(=O)C[C@H]2[C@@]13CC[C@@H](C)[C@@]2(CCc1ccoc1)C(=O)OC3 ZINC000034950630 EH Annotated Mild CC1=CC(=O)C[C@H]2[C@@]13CC[C@@H](C)[C@@]2(CCc1ccoc1)COC3=O ZINC000034950741 EH Annotated Mild C=C1[C@H](O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4(CN4CCO[C@H]45)[C@@H]2CC[C@@H]1C3 ZINC000034951089 EH Annotated Mild in-vitro CNCC[C@H](c1cccc(F)c1)N1C(=O)C(C)(C)c2cccc(F)c21 ZINC000034986252 EH Annotated Anodyne CNCC[C@H](c1ccccc1)N1C(=O)C(C)(C)c2cccc(F)c21 ZINC000034986256 EH Annotated Anodyne CNCC[C@@H](c1ccccc1)n1c(=O)n(C(C)C)c2cccc(F)c21 ZINC000034986559 EH Annotated Anodyne CNCC[C@H](c1ccccc1)n1c(=O)n(C(C)C)c2cccc(F)c21 ZINC000034986560 EH Annotated Anodyne O=C1CS[C@@H](c2c(F)cccc2F)N1c1ccc(Cl)cn1 ZINC000003587222 EH Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2F)N1c1ccc(Cl)cn1 ZINC000003587225 EH Annotated Anodyne O[C@](C#CCN1CCCC1)(c1ccccc1)c1ccccc1Cl ZINC000003588965 EH Annotated Mild Oc1ccc(Cl)cc1/C=N/CC/N=C/c1cc(Cl)ccc1O ZINC000003589315 EH Annotated Mild S=C(N/N=C(/c1ccccc1)c1ccccn1)N1CCCCCC1 ZINC000003593198 EH Annotated Mild Oc1cn(-c2ccc(Cl)cc2)nc1-c1nnc(-c2ccccc2)o1 ZINC000003595309 EH Annotated Anodyne Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccc(CN)cc4)o3)cc21 ZINC000003595513 EH Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4cccc(CN)c4)o3)cc21 ZINC000003595516 EH Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4CN)o3)cc21 ZINC000003595518 EH Annotated Mild CC(CO)(CO)NCc1cccc2c3ccccc3c3ccccc3c12 ZINC000003644657 EH Annotated Bother CC(CO)(CO)NCc1cccc2ccc3c4ccccc4ccc3c12 ZINC000003644659 EH Annotated Bother CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CC[N+](C)(C)C)O2 ZINC000003644946 EH Annotated Bother COC(=O)c1ccc([C@@H]2N=C(O)c3c(sc4c3CCCC4)N2)cc1 ZINC000003647319 EH Annotated Anodyne CC(C)C1=CC2=CC=C3C(C)(C)CC(=O)O[C@]3(C)CC2=C(O)C1=O ZINC000003647666 EH Annotated Mild Cc1c([C@@H](C)c2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O ZINC000003648132 EH Annotated Anodyne CN(C)c1ccc(-c2nc(Nc3ccc(F)cc3)nc(O)c2C#N)cc1 ZINC000003649561 EH Annotated Mild CN(C)c1ccc(-c2nc(NC3CCCCC3)nc(O)c2C#N)cc1 ZINC000003649581 EH Annotated Mild CCCCCCCCNc1nc(O)c(C#N)c(-c2cccnc2)n1 ZINC000003649620 EH Annotated Mild N#Cc1c(-c2ccc(F)cc2)[nH]c(NC2CCCCCC2)nc1=O ZINC000003649668 EH Annotated Mild OCCCNc1nc(-c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000003767053 EH Annotated Anodyne CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CCCC1 ZINC000003779688 EH Annotated Anodyne CCSCCn1/c(=N/C)sc2cc(OC(F)(F)F)ccc21 ZINC000003786266 EH Annotated Anodyne CCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000003797195 EH Annotated Anodyne O=C(Nc1ccccn1)[C@@H]1C(=O)N2c3ccccc3Oc3cccc1c32 ZINC000003797693 EH Annotated Anodyne CN1C(=O)Nc2ccc(Cl)cc2[C@@]1(C#Cc1ccccn1)C1CC1 ZINC000003798141 EH Annotated Mild CCc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O ZINC000003805651 EH Annotated Bother NCCSc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O ZINC000003814473 EH Annotated Anodyne Nc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 ZINC000003815151 EH Annotated Anodyne COc1ccnc(CCc2nc3ncc(-c4ccccc4)cc3[nH]2)c1 ZINC000003818243 EH Annotated Anodyne NC(=O)[C@@H](Nc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000003832007 EH Annotated Bother NC(=O)[C@H](Nc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000003832008 EH Annotated Bother COc1cc2cc(-c3ccc(OC)c([N+](=O)[O-])c3)cnc2cc1OC ZINC000003832241 EH Annotated Bother COc1ccc2c(c1)N(C(=O)OC(C)C)[C@H](CSC)C(=S)N2 ZINC000003870432 EH Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000003895545 EH Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000003895547 EH Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000003895548 EH Annotated Anodyne CN(C)C(=O)[C@H](/N=C(\O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003895585 EH Annotated Anodyne CN(C)C(=O)[C@@H](/N=C(\O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003895587 EH Annotated Anodyne Cc1cc(C)n2nc3nc(N4CCCC4)nc(-c4ccccc4)c3c2n1 ZINC000003896171 EH Annotated Anodyne Cc1cc([N+](=O)[O-])nn1CCC/C(O)=N/Cc1ccc(Cl)cc1 ZINC000003896259 EH Annotated Anodyne Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)o1 ZINC000003896494 EH Annotated Anodyne Cc1ccc2c(c1)N([C@H](C)/C(O)=N/[C@H]1CCCC[C@@H]1C)C(=O)CO2 ZINC000003907282 EH Annotated Mild c1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1 ZINC000003912243 EH Annotated Anodyne CCC(C)(C)/N=C(\NC#N)Nc1cc(F)cc(Br)c1 ZINC000003920521 EH Annotated Mild C[C@@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O ZINC000003922462 EH Annotated Mild CCCCOc1c(C(=O)c2c(F)cc(F)cc2F)cnc2[nH]ncc12 ZINC000003922890 EH Annotated Anodyne c1cc(OCCNCCCc2c[nH]c3ccccc23)c2[nH]cnc2c1 ZINC000003923590 EH Annotated Anodyne FC(F)(F)c1nc2c(OCCNCc3ccccc3)cccc2[nH]1 ZINC000003923630 EH Annotated Anodyne CC(C)Oc1ccc(Cc2ccccc2)cc1/C(O)=C/C(=O)C(=O)O ZINC000003923697 EH Annotated Mild O=C1Nc2cc(Cl)cc(Cl)c2[C@@]1(O)c1cc(Cl)ccc1O ZINC000003928901 EH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccc(Cl)cc1S2 ZINC000003931095 EH Annotated Mild CC(C)(C)C(=O)OC[C@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000003940606 EH Annotated Anodyne CCCCc1nc2[nH]ncc2c2nc(-c3ccc(Cl)cc3)nn12 ZINC000003945778 EH Annotated Anodyne CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](c3ccccc3)CC[C@]12C ZINC000003946450 EH Annotated Mild Cc1csc2c1-n1cccc1/C2=N/OCCNCc1ccccc1 ZINC000003954718 EH Annotated Mild CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c([C@@H](C)CC)nc3n2)C1 ZINC000003955128 EH Annotated Anodyne CC[C@H](C)c1nc2nc(N3C[C@H](CC)CC[C@H]3C)ccc2[nH]c1=O ZINC000003955129 EH Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c([C@@H](C)CC)nc3n2)C1 ZINC000003955130 EH Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 ZINC000003955140 EH Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 ZINC000003955141 EH Annotated Anodyne CC(C)CN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000003955839 EH Annotated Anodyne Cn1cccc1C(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1 ZINC000003955853 EH Annotated Anodyne O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1 ZINC000003955892 EH Annotated Anodyne O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000003956303 EH Annotated Anodyne O=C(N[C@@H](CO)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000003960015 EH Annotated Anodyne O=C1Nc2ccccc2N(CC2CC2)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000003963042 EH Annotated Mild COC(=O)C/C=C\[C@H](C)[C@H](OC)c1ccccc1Br ZINC000003965529 EH Annotated Anodyne CC(C)C1=C2[C@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000003973814 EH Annotated Reactive O=C1NCc2ccccc2OCCC/C=C/c2cncc3ccc1nc23 ZINC000003979638 EH Annotated Anodyne O=C1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)C1 ZINC000003981725 EH Annotated Anodyne COc1nc(C)nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 ZINC000035010598 EH Annotated Anodyne CSc1ncnc(Nc2ccc(C#N)c(OCC=C(C)C)c2)n1 ZINC000035010610 EH Annotated Mild CCOc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 ZINC000035013117 EH Annotated Anodyne CCOc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 ZINC000035013119 EH Annotated Anodyne CCOc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F ZINC000035013145 EH Annotated Anodyne CCOc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F ZINC000035013147 EH Annotated Anodyne C[C@H]1CN2C[C@@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075245 EH Annotated Anodyne C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075256 EH Annotated Anodyne C[C@H]1CN2C[C@H](C3CCCCC3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075262 EH Annotated Anodyne CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000035077282 EH Annotated Reactive CC1(C)C[C@@]2(CN(Cc3ccc(N)cc3)CCO2)c2ccccc2O1 ZINC000035079534 EH Annotated Clean CC1(C)C[C@]2(CN(Cc3ccc(N)cc3)CCO2)c2ccccc2O1 ZINC000035079535 EH Annotated Clean Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000035090978 EH Annotated Bother C/N=c1\cc[nH]c2sc3c(=O)n(-c4ccc(Cl)cc4)ccc3c12 ZINC000035284367 EH Annotated Anodyne CCc1nnc(NC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)s1 ZINC000035373882 EH Annotated Anodyne CCCCc1c(C)nc2nc(NCc3ccc(CC)cc3)nn2c1O ZINC000035562356 EH Annotated Anodyne CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1 ZINC000035812782 EH Annotated Anodyne C/C(=C\C(=O)O)CC[C@@]1(C)[C@@H]2CC[C@H](O)[C@@](C)(O)[C@]2(C)CC[C@H]1C ZINC000035813187 EH Annotated Anodyne Clc1cccc(-n2nnnc2N[C@@H]2COc3ccccc32)c1Cl ZINC000035846084 EH Annotated Anodyne Clc1cccc(-n2nnnc2N[C@H]2COc3ccccc32)c1Cl ZINC000035846085 EH Annotated Anodyne CNC1=Nc2ncccc2C(c2ccccc2)=N[C@@H]1c1cccs1 ZINC000035876043 EH Annotated Anodyne CNC1=Nc2ncccc2C(c2ccccc2)=N[C@H]1c1cccs1 ZINC000035876044 EH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccco2)cs1 ZINC000035895898 EH Annotated Anodyne COC(=O)[C@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 ZINC000035906477 EH Annotated Anodyne C/C(=C/C(=O)O)CC[C@]1(C)[C@@H](C)CC[C@]2(C)[C@H]1CC[C@@H](O)[C@@]2(C)O ZINC000035949870 EH Annotated Anodyne COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)CCC[C@@]31C)CO2)[C@H]1CO1 ZINC000035950066 EH Annotated Anodyne COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2C ZINC000035979149 EH Annotated Anodyne Cc1cc(=O)oc2c1c(-c1ccccc1)nn2-c1ccc(C(=O)O)cc1 ZINC000036057365 EH Annotated Anodyne Fc1ccc(CN(CC2CC2)C2CCNCC2)c(C(F)(F)F)c1 ZINC000036093179 EH Annotated Anodyne FC(F)(F)c1ccccc1C[C@H](c1ccccc1)N1CCNCC1 ZINC000036093215 EH Annotated Anodyne FC(F)(F)c1ccccc1C[C@@H](c1ccccc1)N1CCNCC1 ZINC000036093216 EH Annotated Anodyne Brc1ccccc1C[C@H](c1ccccc1)N1CCNCC1 ZINC000036093239 EH Annotated Anodyne in-vivo Brc1ccccc1C[C@@H](c1ccccc1)N1CCNCC1 ZINC000036093240 EH Annotated Anodyne in-vivo CSc1nc(N)nc(-c2cccc(-c3ccc4[nH]ccc4c3)c2)n1 ZINC000036124135 EH Annotated Anodyne Cc1cc(CCO)ccc1Nc1nccc(-c2c[nH]c3ncccc23)n1 ZINC000036124436 EH Annotated Anodyne Cc1nn(C(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc12 ZINC000036127424 EH Annotated Anodyne Cc1nn(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc12 ZINC000036127426 EH Annotated Anodyne C[C@@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(=O)O ZINC000036143392 EH Annotated Anodyne CNc1cc(Nc2cc(O)ccc2C)nc(-n2cnc3ccccc32)n1 ZINC000036187673 EH Annotated Anodyne O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1cccc(Cl)c1 ZINC000036241909 EH Annotated Anodyne COC[C@H](CNC(C)=O)c1c(-c2ccccc2)n(C)c2ccccc12 ZINC000036242981 EH Annotated Anodyne COC[C@@H](CNC(C)=O)c1c(-c2ccccc2)n(C)c2ccccc12 ZINC000036242983 EH Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)N2 ZINC000036271331 EH Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)N2 ZINC000036271333 EH Annotated Anodyne CC1(C)C(=O)N(C2CCCCCC2)C[C@H]1COc1ccc(C#N)cn1 ZINC000036286273 EH Annotated Mild CC1(C)C(=O)N(C2CCCCCC2)C[C@@H]1COc1ccc(C#N)cn1 ZINC000036286276 EH Annotated Mild Nc1c(Cl)cc(C(=O)N2C3CC4CC(C3)CC2C4)cc1Cl ZINC000036286461 EH Annotated Anodyne O=C1/C(=C/c2cc[nH]c2)CN(Cc2ccccc2)C/C1=C\c1cc[nH]c1 ZINC000036286861 EH Annotated Mild Cc1cc(-c2ocnc2CO)cc(OCc2cccc(Cl)c2)n1 ZINC000036352022 EH Annotated Anodyne C=C[C@@H]1CN(C(C)=O)CC[C@@H]1CCC(=O)c1ccnc2ccccc12 ZINC000036378863 EH Annotated Mild C=C[C@@H]1CN(C(C)=O)CC[C@H]1CCC(=O)c1ccnc2ccccc12 ZINC000036378864 EH Annotated Mild C=C[C@H]1CN(C(C)=O)CC[C@@H]1CCC(=O)c1ccnc2ccccc12 ZINC000036378865 EH Annotated Mild C=C[C@H]1CN(C(C)=O)CC[C@H]1CCC(=O)c1ccnc2ccccc12 ZINC000036378866 EH Annotated Mild Cc1cc2c(c(=O)o1)[C@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 ZINC000036379222 EH Annotated Anodyne CCc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C ZINC000036380019 EH Annotated Anodyne Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2/C(S)=N/c1cccnc1 ZINC000036380234 EH Annotated Mild Cc1cc2c(s1)c1cnn(Cc3c(F)cccc3F)c(=O)c1n2C ZINC000036380280 EH Annotated Anodyne Cc1cc2c(s1)c1cnn(Cc3cccc(C)c3F)c(=O)c1n2C ZINC000036380292 EH Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3Nc4ccccc4C(=O)N3O)o2)cc1 ZINC000036380702 EH Annotated Mild C=C1NN(CC2CC2)C(=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000036380765 EH Annotated Anodyne CCOP(=O)(OCC)c1ccc2c(c1)C(=O)c1ccccc1CC2 ZINC000036380857 EH Annotated Anodyne CCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2c(c1O)NCCC2 ZINC000036380910 EH Annotated Clean O=c1c2ccccc2nc2sc(Nc3ccc4c(c3)CCC4)nn12 ZINC000036381053 EH Annotated Anodyne CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 ZINC000036381380 EH Annotated Anodyne CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2 ZINC000036381381 EH Annotated Anodyne NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381474 EH Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@H](Cc1ccccc1Br)OC ZINC000036381661 EH Annotated Anodyne COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 ZINC000036381667 EH Annotated Anodyne C=CC[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C2=NCCN=C21 ZINC000036381770 EH Annotated Mild C=C(Br)CO[C@H]1C=C[C@@H](c2ccccc2)O[C@@H]1COC ZINC000036381870 EH Annotated Mild C=CCN1C(=O)[C@]2(OCCC=C[C@H]2C)c2c(Br)cccc21 ZINC000036381892 EH Annotated Mild C[C@@H]1CC2=CCC[C@H]2[C@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000036381961 EH Annotated Anodyne CCOC(=O)C1=CN(CCC=C(C)C)C(=O)N[C@@H]1c1ccccc1 ZINC000036382020 EH Annotated Anodyne C=C(C)CCCN1C=C(C(=O)OCC)[C@@H](c2ccccc2)NC1=O ZINC000036382024 EH Annotated Mild C[C@@H]1C[C@@H]2CCC[C@H]2[C@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000036382055 EH Annotated Anodyne CC1=C[C@]2(O[C@H](COc3ccccc3)C1)C(=O)N(C)c1ccccc12 ZINC000036382058 EH Annotated Anodyne O=C1C=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000036382293 EH Annotated Mild O=C1CCC[C@@H]2Cc3nc4ccc(Cl)cc4cc3[C@@H]3CCN1[C@@H]32 ZINC000036382976 EH Annotated Anodyne Nc1c(Cl)cc(C2=NCCn3nc4ccccc4c32)cc1Cl ZINC000036383458 EH Annotated Anodyne COc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1 ZINC000036383473 EH Annotated Anodyne O=C(O)CCn1cc(-c2ccc(Cl)cc2)nc1-c1ccncc1 ZINC000036387386 EH Annotated Anodyne C#CCCc1cscc1/C=[N+](\[O-])c1ccc(C(=O)OCC)cc1 ZINC000036387625 EH Annotated Mild COc1ccccc1[C@]1(C)ON(c2ccccc2C(F)(F)F)C1=O ZINC000036387700 EH Annotated Anodyne COc1ccccc1[C@@]1(C)ON(c2ccccc2C(F)(F)F)C1=O ZINC000036387701 EH Annotated Anodyne COc1ccc([C@]2(C)ON(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000036387702 EH Annotated Anodyne COc1ccc([C@@]2(C)ON(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000036387703 EH Annotated Anodyne CCOC(=O)c1cc(-c2ccccc2C)nn1Cc1cc(CC)no1 ZINC000036387845 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4 ZINC000036387856 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4 ZINC000036387857 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC(=O)N4 ZINC000036387858 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N[C@@](C)(CC[C@@H]21)C3 ZINC000036387859 EH Annotated Anodyne C[C@@H](OC(=O)N(C)Cc1ccccc1)[C@H]1O[C@]2(C)CCCC[C@H]1O2 ZINC000036388056 EH Annotated Anodyne COc1ccc(C2=CC(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)cn1 ZINC000036388285 EH Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3ccc(F)nc3)C2)cc1OC ZINC000036388291 EH Annotated Mild COc1ccc([C@H]2CC(=O)C=C(c3cccc(CO)c3)C2)cc1OC ZINC000036388326 EH Annotated Mild N#Cc1ccc(-c2ccc([C@H]3Nc4ccccc4C(=O)N3O)o2)cc1 ZINC000036388611 EH Annotated Mild COc1ccccc1-c1sc2cc3c(cc2c1C#CCO)OCO3 ZINC000036388680 EH Annotated Mild COc1ccc2sc(-c3ccc(N(C)C)cc3)c(C#CCO)c2c1 ZINC000036388693 EH Annotated Mild O=C(O)CCC(=O)OCc1c(-c2ccccc2)ncc2ccccc12 ZINC000036388729 EH Annotated Anodyne COc1ccc(-c2sc3cc4c(cc3c2C#CCO)OCO4)cc1 ZINC000036388972 EH Annotated Mild C[C@@H](CCCCCCCCC(=O)O)N(CCO)C(=O)OC(C)(C)C ZINC000036389247 EH Annotated Anodyne C[C@H](CCCCCCCCC(=O)O)N(CCO)C(=O)OC(C)(C)C ZINC000036389248 EH Annotated Anodyne O=C1C=C(c2ccc(Cl)nc2)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000036389342 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C ZINC000036398906 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC(=O)C([C@@H](C)C(=O)O)=C[C@]2(C)[C@H]1C ZINC000036398950 EH Annotated Mild C=CC[C@@H]1[C@@H](CCC)OC(=O)[C@@]1(CC=C)S(=O)(=O)c1ccccc1 ZINC000036398957 EH Annotated Mild C[C@]1(c2ccsc2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21 ZINC000036398979 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@H](O)C2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000036433616 EH Annotated Mild C[C@@]12CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(CC1=O)C2 ZINC000036433676 EH Annotated Anodyne C#C/C=C\[C@H](Cl)[C@@H]1[C@@H]2/C(=C(\Br)CC)O[C@@H]3C[C@H]1O[C@H]23 ZINC000036433911 EH Annotated Reactive in-vitro biogenic COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3C(=O)C[C@H]21 ZINC000036489877 EH Annotated Anodyne C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](Oc1ccccc1Cl)CC2 ZINC000036520836 EH Annotated Anodyne O=C(NO)c1cn(Cc2ccccc2Cl)cc1-c1ccccc1 ZINC000036661491 EH Annotated Anodyne CCCC1(CCC)N=C(O)N(Cc2nc3ccccc3nc2C)C1=O ZINC000036879937 EH Annotated Anodyne CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000037638276 EH Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000037638277 EH Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2)C[C@@H]1c1ccccc1 ZINC000037638278 EH Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2)C[C@@H]1c1ccccc1 ZINC000037638279 EH Annotated Mild O=C1/C(=C\c2ccccc2)Oc2c1ccc(O)c2CN1CCCCC1 ZINC000037857668 EH Annotated Mild O=C(N=C1C(c2ccccc2)=S=C2C=CC=CN12)c1ccccc1 ZINC000377406476 EH Annotated Mild CC(=O)c1ccccc1OCc1ccc2c(c1)[N+](=O)C(C)(C)N2O ZINC000377466630 EH Annotated Anodyne Cn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1cccc(C(=O)O)c1 ZINC000377553955 EH Annotated Bother Cn1c2ccccc2c(=Nc2ccc(C(N)=O)cc2)c2ccccc21 ZINC000377814126 EH Annotated Bother Cc1cc2c(cc1C)[n+](=O)c(-c1ccc(Cl)cc1)c(C#N)n2O ZINC000377819647 EH Annotated Mild N=c1ccn(CCCn2ccc(=N)c3ccccc32)c2ccccc12 ZINC000377825259 EH Annotated Anodyne CCN(CC)C(=O)C1=CN(C)/C(=C/C=C2/C=Nc3ccccc32)C=C1 ZINC000377829994 EH Annotated Anodyne CCN(CC)C(=O)C1=CN(C)/C(=C/C=C2\C=Nc3ccccc32)C=C1 ZINC000377829995 EH Annotated Anodyne COC(=O)CCCn1ccc2c3cc(Br)ccc3nc-2c1 ZINC000377833971 EH Annotated Anodyne O=[n+]1[nH]c2c(-c3ccco3)cnn2c2cc(-c3ccsc3)ccc21 ZINC000377836351 EH Annotated Anodyne O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3ccco3)ccc21 ZINC000377836362 EH Annotated Anodyne COc1cc2ccn3cc4cc(OC)c(=O)cc-4cc3c2cc1OC ZINC000377841281 EH Annotated Bother N#Cc1c(-c2cccs2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000377842926 EH Annotated Mild Cc1c2ccn(CCOCCN)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377853453 EH Annotated Bother Cc1c2ccn(CCOCCN)cc2c(C)c2c1nc1ccccc12 ZINC000377853456 EH Annotated Bother COc1cc2c3c(c1)c(N=NC(N)=S)c(O)n3C(C)(C)C=C2C ZINC000377867594 EH Annotated Clean COc1cc(/C=C2/CCCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000038139187 EH Annotated Mild C/C(=C(\C#N)P(=O)(c1ccccc1)c1ccccc1)N1CCCC1 ZINC000038140731 EH Annotated Reactive CCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2c(c1O)NCCC2 ZINC000038142073 EH Annotated Clean C[C@@H]1CC2=CCC[C@@H]2[C@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000038142355 EH Annotated Anodyne CCOC(=O)C1=CN(CCC=C(C)C)C(=O)N[C@H]1c1ccccc1 ZINC000038142389 EH Annotated Anodyne C=C(C)CCCN1C=C(C(=O)OCC)[C@H](c2ccccc2)NC1=O ZINC000038142393 EH Annotated Mild CC(C)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21 ZINC000038142852 EH Annotated Anodyne C=CCCC[C@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000038143462 EH Annotated Mild C=CCCC[C@@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000038143463 EH Annotated Mild COCc1ccc([C@@]23CC[C@H]4CCCC[C@]4(OO2)[C@H](OC)O3)cc1 ZINC000038153510 EH Annotated Reactive COCc1ccc([C@@]23CC[C@H]4CCCC[C@]4(OO2)[C@@H](OC)O3)cc1 ZINC000038153516 EH Annotated Reactive COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C(C)[C@H]2C#N)ccc1O ZINC000038193755 EH Annotated Mild COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C(C)[C@@H]2C#N)ccc1O ZINC000038193756 EH Annotated Mild COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N=C(C)[C@@H]2C#N)ccc1O ZINC000038193811 EH Annotated Mild CC(C)CN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1 ZINC000038208375 EH Annotated Anodyne Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C(F)F)s1 ZINC000038230235 EH Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C(/C(=O)OC)[C@@H]1CO1 ZINC000038238084 EH Annotated Mild S=C(NCc1ccccc1Cl)N1CCC(c2ccccc2)=N1 ZINC000038278307 EH Annotated Anodyne C=C[C@@]1(C)CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)[C@@H]1C(=C)C ZINC000038278447 EH Annotated Mild C[C@H]1CC(=O)C=C(Nc2ccc(I)cc2)C1 ZINC000038287222 EH Annotated Mild C[C@@H]1CC(=O)C=C(Nc2ccc(I)cc2)C1 ZINC000038287223 EH Annotated Mild CC1=C2C[C@H](O)/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O ZINC000038287377 EH Annotated Anodyne CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC/C(=C\CO)CC[C@H]1O ZINC000038306578 EH Annotated Anodyne CCCOc1ccc2nc(-c3cccc(OCCOC)c3)c(C)n2n1 ZINC000038317753 EH Annotated Anodyne CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C=O)=C(C)[C@@H]3CC(=O)[C@@H]12 ZINC000038317914 EH Annotated Reactive C=C1[C@H](O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@@H]45)[C@@H]2CC[C@@H]1C3 ZINC000038321631 EH Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CC(=O)[C@@H](O)[C@]32C)[C@H]1C(=O)OC ZINC000038330474 EH Annotated Mild CC1=C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)([C@H]1CCC1=CCOC1=O)[C@@H]23 ZINC000038342668 EH Annotated Anodyne in-vitro biogenic C[C@H]1C2=CC(=O)OC2=C[C@H]2[C@H]1CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C ZINC000038342669 EH Annotated Anodyne in-vitro biogenic C[C@@]1(c2ccsc2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21 ZINC000038344953 EH Annotated Mild C=C[C@H]1CN(C(C)=O)CC[C@H]1CC[C@@H](O)c1ccnc2ccccc12 ZINC000038361127 EH Annotated Mild CCc1nn(CCO)c(CC)c1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000038442267 EH Annotated Anodyne O=C1CCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1 ZINC000038443836 EH Annotated Anodyne in-vivo C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@@H](CO)CCO ZINC000038493519 EH Annotated Anodyne in-vitro biogenic Brc1ccc(-c2nc3c(Br)cncc3[nH]2)o1 ZINC000381092658 EH Annotated Anodyne COc1cc(C)c(OC)c2c1C[C@@H](C(=O)O)C[C@H]2c1ccccc1 ZINC000038541376 EH Annotated Anodyne C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(CO)cc3)cc2)C1=O ZINC000038542296 EH Annotated Anodyne C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(CO)cc3)cc2)C1=O ZINC000038542297 EH Annotated Anodyne C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(CO)cc3)cc2)C1=O ZINC000038542298 EH Annotated Anodyne C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(CO)cc3)cc2)C1=O ZINC000038542299 EH Annotated Anodyne CCCCCC/C(=N/O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000038542620 EH Annotated Mild in-vitro biogenic CC1(C)C(=O)C=C[C@]23C[C@@]24[C@@H](CC[C@@H]13)[C@]1(C)CCC(=O)[C@@]1(C)C[C@H]4O ZINC000038694786 EH Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C(=O)O)C1=O ZINC000038695161 EH Annotated Mild C=CC(C)(C)c1c(O)c2c(c3ccc(=O)oc13)OC(C)(C)CC2=O ZINC000038782881 EH Annotated Mild COc1cc2c(cc1OC)C(=O)N1C=C(c3ccccc3C)C[C@H]1C=N2 ZINC000038792823 EH Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(O)c1 ZINC000038796536 EH Annotated Mild COc1ccc2nc(C)cc(N/N=C/c3ccccc3[N+](=O)[O-])c2c1 ZINC000038807218 EH Annotated Mild O=C(NO)c1cc2ccn(Cc3cccc(Cl)c3Cl)c2cn1 ZINC000038821602 EH Annotated Anodyne CC(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1 ZINC000038822732 EH Annotated Anodyne C=C(C)/C=C/[C@@]12C(=O)C=CC(=O)[C@@]13CC(C)=C[C@@H]2c1c(O)ccc(O)c13 ZINC000038822964 EH Annotated Mild CC[C@@H](Cl)[C@@H]1O[C@](C)(C[C@@H](CC)[C@H](O)CC(=O)OC)C[C@H]1CC ZINC000038823064 EH Annotated Reactive CCCCC/C=C\C[C@H](O)[C@H](O)/C=C/[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 ZINC000038883700 EH Annotated Anodyne CCNCCc1cc(O)c(OC)c2c1ccc1cc(O)c(OC)cc12 ZINC000038883955 EH Annotated Bother CCOc1ccc2/c(=N\N=C\c3ccccc3OC)cc(C)[nH]c2c1 ZINC000038889705 EH Annotated Mild CCOc1ccc2/c(=N\N=C\c3cccc(OC)c3)cc(C)[nH]c2c1 ZINC000038889717 EH Annotated Mild COC(=O)C1=CC[C@@H]2C(C(C)C)=CC(=O)[C@]2(C)CC2=C(C)C(=O)C[C@H]12 ZINC000038894249 EH Annotated Mild in-vitro biogenic N#Cc1cccc2c1C=Cc1ncc(N3CCCCCC3)cc1[C@H]2O ZINC000038928398 EH Annotated Mild N#Cc1cccc2c1C=Cc1ncc(N3CCCCCC3)cc1[C@@H]2O ZINC000038928399 EH Annotated Mild C[C@H]1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)CCC[C@]21C ZINC000039027957 EH Annotated Anodyne CC1=C2C[C@H]3[C@]4(C)CC[C@@H](O4)[C@]3(C)CC/C=C(\C)C[C@@]2(O)OC1=O ZINC000039027958 EH Annotated Anodyne C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)C[C@H](O)C[C@]12C ZINC000039137177 EH Annotated Mild NC(=O)c1c2cc(Br)ccc2nc2c1[nH]c1ccccc12 ZINC000039137382 EH Annotated Bother COC(=O)c1c2c(c3ccccc3c1OC(C)=O)OC(C)(C)C=C2 ZINC000039158167 EH Annotated Anodyne CCSc1c(C)on(C(=O)N(c2ccc(F)cc2)C(C)C)c1=O ZINC000039158827 EH Annotated Anodyne C=C(CC(=O)O)C(=O)C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C(C=O)C[C@H]12 ZINC000039177034 EH Annotated Reactive CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1ccc(Br)cc21 ZINC000039198725 EH Annotated Anodyne CC[C@]1(CC(=O)O)OCCc2c1[nH]c1ccc(Br)cc21 ZINC000039198726 EH Annotated Anodyne CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1cc(C(F)(F)F)ccc21 ZINC000039198747 EH Annotated Anodyne CC[C@]1(CC(=O)O)OCCc2c1[nH]c1cc(C(F)(F)F)ccc21 ZINC000039198749 EH Annotated Anodyne CC(C)(C)[C@@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000039220271 EH Annotated Anodyne CC(C)(C)[C@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000039220272 EH Annotated Anodyne CCC(CC)NC(=O)c1cccnc1N1CCC[C@@H]1c1ccccn1 ZINC000039229584 EH Annotated Anodyne CCC(CC)NC(=O)c1cccnc1N1CCC[C@H]1c1ccccn1 ZINC000039229585 EH Annotated Anodyne CN(C)C[C@H](O)[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000039245472 EH Annotated Anodyne CN(C)C[C@@H](O)[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000039245473 EH Annotated Anodyne CN(C)C[C@H](O)[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000039245474 EH Annotated Anodyne CN(C)C[C@@H](O)[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000039245475 EH Annotated Anodyne CCCSc1ncccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000039264151 EH Annotated Clean Cc1ccc(Oc2ncccc2C(=O)N(C)CCCN(C)C)c(C)c1 ZINC000039264241 EH Annotated Anodyne O=C(O)[C@H]1Cc2c3c(c(Cl)c(Cl)c2O1)C(=O)C1(CCCC1)C3 ZINC000039277863 EH Annotated Anodyne O=C(O)c1cn2c(cc(Cl)c3ccc(Br)cc32)n1 ZINC000039281651 EH Annotated Anodyne CC(C)N1C(=O)N[C@@H](c2cccc(F)c2)c2cc3c(cc21)OCO3 ZINC000039290285 EH Annotated Anodyne CC(C)N1C(=O)N[C@H](c2cccc(F)c2)c2cc3c(cc21)OCO3 ZINC000039290286 EH Annotated Anodyne CC(C)N1C(=O)N[C@@H](c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000039290287 EH Annotated Anodyne CC(C)N1C(=O)N[C@H](c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000039290288 EH Annotated Anodyne Nc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000039320429 EH Annotated Anodyne COc1ccc([C@@H]2CNCc3c2cc(OC)c(OC)c3Cl)cc1 ZINC000039374470 EH Annotated Anodyne COc1ccc([C@H]2CNCc3c2cc(OC)c(OC)c3Cl)cc1 ZINC000039374471 EH Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CCc1nnc(-c2cc(C)oc2C)o1 ZINC000039388084 EH Annotated Anodyne CC[C@H]1CCCCN1C(=O)CCc1nnc(-c2cc(C)oc2C)o1 ZINC000039388085 EH Annotated Anodyne O=C(C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1)c1ccco1 ZINC000039404884 EH Annotated Anodyne O=C(C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1)c1ccco1 ZINC000039404885 EH Annotated Anodyne Cc1cccc(CN2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC000039447587 EH Annotated Anodyne Cc1cccc(CN2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC000039447589 EH Annotated Anodyne CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000039455291 EH Annotated Anodyne CCN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000039455292 EH Annotated Anodyne COc1ccccc1/C=C/CN1CC[C@]2(CCCN(CC3CC3)C2)C1 ZINC000039460904 EH Annotated Anodyne COc1ccccc1/C=C/CN1CC[C@@]2(CCCN(CC3CC3)C2)C1 ZINC000039460905 EH Annotated Anodyne COCC(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1 ZINC000039485394 EH Annotated Anodyne Cc1ccc(SCCNc2cc(C3CCNCC3)nc(C)n2)cc1 ZINC000039490535 EH Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@]13CO[C@H]2C[C@H]1C(C)(C)C[C@H](O)C3 ZINC000039560106 EH Annotated Clean CC(C)(O)C1=CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1=O ZINC000039560166 EH Annotated Mild CC1=CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000039560273 EH Annotated Anodyne CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000039560274 EH Annotated Anodyne CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O ZINC000039560276 EH Annotated Anodyne CC(=O)CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12 ZINC000039982157 EH Annotated Anodyne Cc1cc(C)c(C(=O)/C=C/c2cccc(Br)c2)c(=O)[nH]1 ZINC000004009473 EH Annotated Mild Fc1ccc(-c2ncnn2-c2ccc(Br)cc2F)cc1 ZINC000004030546 EH Annotated Anodyne COc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000004030582 EH Annotated Anodyne COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000004034501 EH Annotated Anodyne Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1C ZINC000004034762 EH Annotated Anodyne O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 ZINC000004035565 EH Annotated Clean O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 ZINC000004035567 EH Annotated Clean CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049871 EH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049872 EH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004049873 EH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004049874 EH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1 ZINC000004053651 EH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1 ZINC000004053652 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004054158 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004054160 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004054179 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004054182 EH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055522 EH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055523 EH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004055524 EH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004055525 EH Annotated Anodyne N#Cc1ccc(-c2cccnc2)nc1SCCO[C@@H]1CCCCO1 ZINC000004074915 EH Annotated Mild N#Cc1ccc(-c2cccnc2)nc1SCCO[C@H]1CCCCO1 ZINC000004074916 EH Annotated Mild CN1C(=O)CSc2ccc(NC(=O)NCCC3=CCCCC3)cc21 ZINC000004077643 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004081338 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004081341 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004081772 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004081775 EH Annotated Anodyne Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C(C)C)c1C#N ZINC000004087325 EH Annotated Mild CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccccc1Cl)C(C#N)=C2N ZINC000004094873 EH Annotated Reactive CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccccc1Cl)C(C#N)=C2N ZINC000004094874 EH Annotated Reactive C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(C=COC1)O2 ZINC000004097942 EH Annotated Anodyne in-vitro biogenic COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000004101549 EH Annotated Anodyne C[C@H](Sc1sc(=S)sc1S[C@@H](C)C(=O)O)C(=O)O ZINC000004101850 EH Annotated Anodyne C[C@H](Sc1sc(=S)sc1S[C@H](C)C(=O)O)C(=O)O ZINC000004101851 EH Annotated Anodyne C[C@@H](Sc1sc(=S)sc1S[C@H](C)C(=O)O)C(=O)O ZINC000004101853 EH Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102240 EH Annotated Mild in-vitro COc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 ZINC000004107348 EH Annotated Anodyne CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=N)c(C#N)c2C1 ZINC000004111722 EH Annotated Mild COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000004119134 EH Annotated Anodyne aggregator Cc1cc(C)c2nc(N3CCC(C(=O)N4CCCC4)CC3)sc2c1 ZINC000004119191 EH Annotated Anodyne CCOC(=O)CC(=O)CSc1nc2c(C)c(C)ccc2cc1C ZINC000004127496 EH Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]1C ZINC000004134227 EH Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]1C ZINC000004134228 EH Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]1C ZINC000004134229 EH Annotated Anodyne CC[C@@H](C)N1C(=O)c2ccccc2[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000004134230 EH Annotated Anodyne CC[C@H](C)N1C(=O)c2ccccc2[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000004134231 EH Annotated Anodyne CC[C@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000004134232 EH Annotated Anodyne Cc1ccc(C)c(NC(=O)CN2C(=O)CCSc3ccccc32)c1 ZINC000004162719 EH Annotated Anodyne COc1ccccc1/N=C1\C(Cl)=C(O)O[C@H]1OC(=O)c1ccco1 ZINC000004164316 EH Annotated Mild CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H]2C(=O)O ZINC000004167117 EH Annotated Anodyne CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H]2C(=O)O ZINC000004167125 EH Annotated Anodyne CCOc1cccc2c1Oc1nc(-c3ccccc3O)nc(O)c1C2 ZINC000004169838 EH Annotated Anodyne CCCCCC(=O)N/N=C1\NC[C@H](Cc2cccc(Cl)c2)S1 ZINC000004175647 EH Annotated Reactive CCCCCC(=O)N/N=C1\NC[C@@H](Cc2cccc(Cl)c2)S1 ZINC000004175649 EH Annotated Reactive C[n+]1cc(C(=O)N2CCCCC2)ccc1/C=C/c1c[nH]c2ccccc12 ZINC000004181311 EH Annotated Clean CCN(CC)C(=O)c1ccc(/C=C/c2c[nH]c3ccccc23)[n+](C)c1 ZINC000004181392 EH Annotated Clean CCN(CC)[C@@H](c1ccc(C)cc1)c1nnnn1C1CCCCC1 ZINC000004190424 EH Annotated Anodyne CCN(CC)[C@H](c1ccc(C)cc1)c1nnnn1C1CCCCC1 ZINC000004190425 EH Annotated Anodyne CCN(CC)[C@@H](c1ccc(F)cc1)c1nnnn1C1CCCCC1 ZINC000004190583 EH Annotated Anodyne CCN(CC)[C@H](c1ccc(F)cc1)c1nnnn1C1CCCCC1 ZINC000004190589 EH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004207471 EH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004207472 EH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004207473 EH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004207474 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004211331 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004211334 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211859 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004211861 EH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212265 EH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212267 EH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212270 EH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212274 EH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCC#N ZINC000004213915 EH Annotated Mild CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCC#N ZINC000004213917 EH Annotated Mild CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCC#N ZINC000004213919 EH Annotated Mild CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCC#N ZINC000004213920 EH Annotated Mild CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCCOC ZINC000004213988 EH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCCOC ZINC000004213990 EH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCCOC ZINC000004213991 EH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCCOC ZINC000004213993 EH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCC#N ZINC000004214519 EH Annotated Mild CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCC#N ZINC000004214520 EH Annotated Mild CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCC#N ZINC000004214522 EH Annotated Mild CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCC#N ZINC000004214524 EH Annotated Mild CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CCOCC1 ZINC000004215551 EH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N1CCOCC1 ZINC000004215552 EH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CCOCC1 ZINC000004215553 EH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N1CCOCC1 ZINC000004215555 EH Annotated Anodyne Cc1ccc2cc(CCNC(=O)c3cc4ccccc4o3)c(=O)[nH]c2c1 ZINC000004225186 EH Annotated Anodyne O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 ZINC000004238183 EH Annotated Anodyne O=c1c(-c2ccc(Cl)cc2)nc2cncnc2n1Cc1ccccc1 ZINC000004238506 EH Annotated Anodyne O=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccccc1Cl ZINC000004238514 EH Annotated Anodyne O=c1c(-c2cccc(Cl)c2)nc2cncnc2n1Cc1ccccc1 ZINC000004238902 EH Annotated Anodyne COc1ccccc1CNc1ccnc(-c2ccccc2CN(C)C)n1 ZINC000004239225 EH Annotated Anodyne FC(F)(F)c1ccccc1-c1cncnc1NCCc1cnc[nH]1 ZINC000004239470 EH Annotated Anodyne COc1ccccc1CNc1ccnc(-c2ccc(N(C)C)cc2)n1 ZINC000004258453 EH Annotated Anodyne COc1ccccc1CNc1ncncc1-c1ccc(N(C)C)cc1 ZINC000004258600 EH Annotated Anodyne Cc1cnc(CNc2cc(-c3ccccc3C(F)(F)F)ncn2)cn1 ZINC000004265097 EH Annotated Anodyne Cc1cnc(CNc2ccnc(-c3ccccc3C(F)(F)F)n2)cn1 ZINC000004265665 EH Annotated Anodyne COc1ccc(CNc2ncncc2-c2cccc(C#N)c2)c(OC)c1 ZINC000004265709 EH Annotated Mild CN(C)C(=O)c1ccc(-c2nccc(NCc3cccs3)n2)cc1 ZINC000004266754 EH Annotated Anodyne COc1ccccc1CNc1cc(-c2ccccc2CN(C)C)ncn1 ZINC000004267014 EH Annotated Anodyne COc1ccccc1CNc1ncncc1-c1ccccc1CN(C)C ZINC000004267672 EH Annotated Anodyne Cc1cnc(CNc2ncncc2-c2ccccc2C(F)(F)F)cn1 ZINC000004268421 EH Annotated Anodyne O=c1ccc2cc3c([nH]c4ccc(Br)cc43)oc-2c1O ZINC000004272402 EH Annotated Bother CCCCCCC1=NOC[C@@]1(C)C(=O)NCCc1ccccc1F ZINC000004295060 EH Annotated Anodyne CCCCCCC1=NOC[C@]1(C)C(=O)NCCc1ccccc1F ZINC000004295062 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296320 EH Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296321 EH Annotated Anodyne COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C ZINC000004313459 EH Annotated Anodyne COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C ZINC000004313465 EH Annotated Anodyne Cc1oc2cc(O)cc(C)c2c(=O)c1-c1cnn(-c2ccccc2)c1 ZINC000004339487 EH Annotated Anodyne O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1[C@@H]1CCc2ccccc21 ZINC000004394367 EH Annotated Anodyne Cc1nsc(N)c1C(=O)OCc1csc(-c2ccccc2)n1 ZINC000040009994 EH Annotated Anodyne CCN1CCN(C2=Nc3ccccc3/C(=C\C#N)c3ccccc32)CC1 ZINC000040374694 EH Annotated Reactive CCN(CC)CCNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 ZINC000040375138 EH Annotated Reactive C[C@@H]1CN(C)CCN1C1=Nc2ccccc2/C(=C/C#N)c2ccccc21 ZINC000040375238 EH Annotated Reactive C[C@H]1CN(C)CCN1C1=Nc2ccccc2/C(=C/C#N)c2ccccc21 ZINC000040375241 EH Annotated Reactive CN1CCC(/N=C2\Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 ZINC000040375410 EH Annotated Reactive COc1ccc(C2=[N+]([O-])c3ccccc3N3CC(C)(C)CN=C23)cc1 ZINC000040379303 EH Annotated Anodyne C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)COC3=O ZINC000040379344 EH Annotated Anodyne Cc1nc2c(N[C@@H]3CCc4ccccc43)cc(-n3cncn3)cn2c1C ZINC000040379616 EH Annotated Anodyne CCCC[C@]1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000040380168 EH Annotated Anodyne CCCC[C@@]1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000040380169 EH Annotated Anodyne CC1(C)C[C@H](Nc2ccccc2)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000040380534 EH Annotated Mild CC1(C)C[C@@H](Nc2ccccc2)C2=C(O1)C(=O)c1ccccc1C2=O ZINC000040380535 EH Annotated Mild S=C(NCc1ccccc1Cl)N/N=C\c1c[nH]c2ccccc12 ZINC000040391892 EH Annotated Mild C=C1CC[C@@H]2[C@@H](OC(=O)[C@@]2(C)OC(=O)/C(C)=C\C)[C@@H]2C(C)=CC[C@H]12 ZINC000040392465 EH Annotated Mild Cc1cc(Cl)ccc1OCc1nnc2n1CCN2c1ccccc1 ZINC000040392842 EH Annotated Anodyne C=C[C@](C)(O)CC[C@]1(C)C2=CC(=O)C[C@](C)(C(=O)O)[C@H]2CC[C@H]1C ZINC000040393186 EH Annotated Mild COc1cc2c3ccn(Cc4ccccc4)c(=O)c3n(C)c2cc1OC ZINC000040393388 EH Annotated Anodyne CC1=C(O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)OC1 ZINC000040393613 EH Annotated Mild in-vitro COc1ccc(Sc2c([N+](=O)[O-])cc(C#N)cc2[N+](=O)[O-])cc1 ZINC000040394032 EH Annotated Mild CC1=CC=C[C@H](N2CCN(C(=O)Nc3cccc(C)c3)C[C@H]2C)C1 ZINC000040394192 EH Annotated Anodyne CC1=CC=C[C@@H](N2CCN(C(=O)Nc3cccc(C)c3)C[C@H]2C)C1 ZINC000040394194 EH Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC(=O)N1)C2 ZINC000040394689 EH Annotated Anodyne O=c1c2ccc(Cl)cc2oc2ccc(CNCCCCCO)cc12 ZINC000040394876 EH Annotated Bother COCOCc1cc(OC)ccc1-c1cc2cc(C)ccc2c(=O)[nH]1 ZINC000040394886 EH Annotated Anodyne CC[C@@]12C[C@H](O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 ZINC000040395069 EH Annotated Anodyne CCCCCCNc1nc(C#N)nc2c1NCN2Cc1ccccc1 ZINC000040395242 EH Annotated Mild COCOCc1cc(OC)ccc1-c1cc2ccc(C)cc2c(=O)[nH]1 ZINC000040395246 EH Annotated Anodyne COc1cccc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)c1 ZINC000040395686 EH Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3[C@H](O)O[C@@H]4OC(=O)C[C@@H]43)[C@H]12 ZINC000040402319 EH Annotated Mild O=C1CS[C@@H](CC23CC4CC(CC(C4)C2)C3)N1CCN1CCCC1 ZINC000040403089 EH Annotated Anodyne O=C1CS[C@H](CC23CC4CC(CC(C4)C2)C3)N1CCN1CCCC1 ZINC000040403092 EH Annotated Anodyne C[C@@]12CC[C@@H]3[C@@](CC1=O)(C2)C(=O)C[C@H]1[C@@]3(C)CCC[C@@]1(C)C(=O)O ZINC000040404015 EH Annotated Anodyne C=CC1=C(C)C(=O)C=C2[C@]13O[C@H]3C[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC ZINC000040404127 EH Annotated Mild O=c1ccc(Cc2ccc(Cl)c(Oc3ccccc3)c2F)n[nH]1 ZINC000040404526 EH Annotated Anodyne in-vivo Cc1cc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)nc(C)n1 ZINC000040405179 EH Annotated Anodyne Cc1cc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)nc(C)n1 ZINC000040405182 EH Annotated Anodyne O=C(c1cccnc1)n1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000040406893 EH Annotated Bother COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@@H]2c1cccc(Cl)c1 ZINC000040408476 EH Annotated Anodyne COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@H]2c1cccc(Cl)c1 ZINC000040408480 EH Annotated Anodyne COc1ccc(C(=O)C[n+]2ccn(-c3c(C)cc(C)cc3C)c2)cc1 ZINC000040408674 EH Annotated Mild CCCCC(CCCC)N1N=C(c2ccc3c(c2)OCO3)OCC1=O ZINC000040410059 EH Annotated Anodyne O=c1[nH]c2ccccc2c2cn(-c3ccc(C(F)(F)F)cc3)nc12 ZINC000040410950 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1CC(=O)[C@@]3(C)CC[C@]12C3 ZINC000040411884 EH Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](CC(=O)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)CC2=O ZINC000040412263 EH Annotated Anodyne Nc1nnc(-c2cc(Cl)c(OCc3cccc(Cl)c3)cn2)o1 ZINC000040413747 EH Annotated Anodyne CCCCCC(=O)N1CCc2cc(OC)c(OC)c3nccc1c23 ZINC000040420266 EH Annotated Anodyne O=C1Nc2cc(C(F)(F)F)ccc2/C1=C1\C(=O)Nc2ccc(F)cc21 ZINC000040420436 EH Annotated Anodyne c1ccc(OCC2[C@H]3CN(Cc4cnc5ccccc5c4)C[C@@H]23)cc1 ZINC000040420953 EH Annotated Anodyne C/C1=C/C=C/[C@H](C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 ZINC000040421777 EH Annotated Anodyne C/C1=C\CC[C@@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H](C(C)C)CC1=O ZINC000040422031 EH Annotated Mild C/C1=C\C(=O)CC2=C[C@@H](OC2=O)[C@@H](C(C)C)CC(=O)/C(C)=C/CC1 ZINC000040422273 EH Annotated Mild C/C1=C/CC/C(C)=C/C(=O)CC2=C[C@@H](OC2=O)[C@@H](C(C)C)CC1=O ZINC000040422927 EH Annotated Mild CCCS/C=C(/C)n1c(C(=O)c2ccc(Cl)cc2)noc1=O ZINC000040423099 EH Annotated Anodyne CCOC(=O)Cc1ccccc1OC(=O)Cc1ccc(Cl)cc1 ZINC000040423584 EH Annotated Anodyne Cc1ccccc1S(=O)(=O)Oc1cccc(C2CCNCC2)c1C ZINC000040423604 EH Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H]1O[C@@H](O)C=C1C(=O)O ZINC000040424116 EH Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H]1O[C@H](O)C=C1C(=O)O ZINC000040424117 EH Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1O[C@H](O)C=C1C(=O)O ZINC000040424118 EH Annotated Mild CC1=C2CC/C(C)=C/C[C@H](O)[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O ZINC000040424349 EH Annotated Anodyne CN1CCC[C@@H]1[C@@H]1C[S@@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 ZINC000040424491 EH Annotated Anodyne CN1CCC[C@@H]1[C@@H]1C[S@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 ZINC000040424492 EH Annotated Anodyne O=C(Nc1ncco1)C1c2cc(F)ccc2Oc2ccc(F)cc21 ZINC000040424622 EH Annotated Anodyne CO[C@H]1C(=O)N(SC)[C@H]1c1cc(Cl)cc(Cl)c1Cl ZINC000040424760 EH Annotated Anodyne O=C(N/N=C/c1ccco1)c1nc2ccccc2nc1-c1ccccc1 ZINC000040424828 EH Annotated Reactive CCCN1COC[C@@H](Oc2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000040424944 EH Annotated Anodyne CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1 ZINC000040425276 EH Annotated Anodyne Cc1cccc(C)c1CNc1cc(-n2cncn2)cn2c(C)c(C)nc12 ZINC000040425397 EH Annotated Anodyne CN1CCC[C@H]1[C@H]1C[S@@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 ZINC000040429662 EH Annotated Anodyne CN1CCC[C@H]1[C@H]1C[S@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 ZINC000040429664 EH Annotated Anodyne CN1CCC[C@H]1[C@H]1C[S@@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 ZINC000040429985 EH Annotated Anodyne CN1CCC[C@H]1[C@H]1C[S@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 ZINC000040429987 EH Annotated Anodyne Nc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 ZINC000040430647 EH Annotated Anodyne CO[C@@H]1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000040430806 EH Annotated Anodyne CO[C@H]1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000040430808 EH Annotated Anodyne Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccncc3)=N2)cc1 ZINC000040430821 EH Annotated Anodyne CCOC(=O)c1c(O[C@@H]2CCC[C@H](C)[C@@H]2C)c(CC)c(C)[nH]c1=O ZINC000040431102 EH Annotated Anodyne CCOC(=O)c1c(O[C@H]2CCC[C@H](C)[C@@H]2C)c(CC)c(C)[nH]c1=O ZINC000040431104 EH Annotated Anodyne CCOC(=O)c1c(O[C@@H]2CCC[C@@H](C)[C@@H]2C)c(CC)c(C)[nH]c1=O ZINC000040431106 EH Annotated Anodyne CCOC(=O)c1c(O[C@H]2CCC[C@@H](C)[C@@H]2C)c(CC)c(C)[nH]c1=O ZINC000040431108 EH Annotated Anodyne CCN1CCN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 ZINC000040434114 EH Annotated Reactive CN(C)CCCNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 ZINC000040434332 EH Annotated Reactive NCCNCCCNc1cc(Cl)ccc1Sc1ccccc1 ZINC000040449687 EH Annotated Anodyne Cc1ccc(Cl)cc1/N=C(\S)N1CCC[C@@](C)(C(=O)O)C1 ZINC000040449702 EH Annotated Mild Cc1ccc(Cl)cc1/N=C(\S)N1CCC[C@](C)(C(=O)O)C1 ZINC000040449704 EH Annotated Mild CC(C)c1cc(C(C)C)c2nc3sc(C(=O)O)cn3c(=O)c2c1 ZINC000040465044 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 ZINC000040465396 EH Annotated Anodyne CC[C@@H](c1ccc(O)c(CO)c1)[C@@H](CC)c1ccc(O)c(CO)c1 ZINC000040466009 EH Annotated Anodyne CC[C@H](c1ccc(O)c(CO)c1)[C@H](CC)c1ccc(O)c(CO)c1 ZINC000040466013 EH Annotated Anodyne COc1ccc(C(=O)/C(=N/O)SCCN(C(C)C)C(C)C)cc1 ZINC000040466060 EH Annotated Mild C=C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(F)cc4[C@H]3[C@@H](OC)C[C@@]21C ZINC000040472031 EH Annotated Mild CCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4cc(OC)ccc43)[C@@H]21 ZINC000040488889 EH Annotated Anodyne COc1ccc(N2C(=O)/C(=C\N(C)C)c3ccccc32)cc1Cl ZINC000040496741 EH Annotated Anodyne C[C@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000040499121 EH Annotated Anodyne C[C@@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000040499122 EH Annotated Anodyne COc1cccc(Cc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000404496846 EH Annotated Anodyne Cc1nc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1Br ZINC000404579436 EH Annotated Anodyne Clc1ccc(Cc2nnc(Cc3ccc(Cl)cc3)nn2)cc1 ZINC000040505606 EH Annotated Anodyne CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)CO2 ZINC000040510696 EH Annotated Bother CC(C)(C)c1cc(I)c(O)c(C[N+](C)(C)C)c1 ZINC000040514502 EH Annotated Clean C[C@@H]1CC[C@@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000040520198 EH Annotated Anodyne CN1CCN2c3ccc(Cl)cc3C(Cc3ccccc3)=NC[C@@H]2C1 ZINC000040526048 EH Annotated Anodyne N#CC(=C1Nc2ccccc2N1)c1nc(Cl)ncc1Br ZINC000040538320 EH Annotated Reactive CN(C)CCOc1ccccc1/C=C(\C#N)c1noc2ccccc12 ZINC000040554909 EH Annotated Reactive COc1c(C)cc2c(c1C)[C@@H]1CN(C(=O)OCC(C)C)CC[C@@H]1N2 ZINC000040556664 EH Annotated Anodyne C=C[C@]1(C)CC[C@@]2(O)[C@@H](C1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]12C ZINC000040564497 EH Annotated Mild C=C[C@]1(C)CC[C@@]2(O)[C@@H](C1)C(=O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@]12C ZINC000040564501 EH Annotated Mild in-vitro biogenic COc1ccc(-c2c(C)c(C#N)c(N)c(C#N)c2SC)cc1OC ZINC000040564646 EH Annotated Mild c1ccc(C2=NN(c3nc4nc5ccccc5nc4s3)CC2)cc1 ZINC000040565298 EH Annotated Anodyne C[C@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(=O)O ZINC000040565959 EH Annotated Anodyne Ic1ccccc1C1=N[C@H](c2ccccc2)CO1 ZINC000040567325 EH Annotated Anodyne Ic1ccccc1C1=N[C@@H](c2ccccc2)CO1 ZINC000040567326 EH Annotated Anodyne O=C(c1nc(-c2cc3ccccc3[nH]2)c[nH]1)c1c[nH]c2cc(O)ccc12 ZINC000040568199 EH Annotated Anodyne CC1(C)Oc2c(c3nc4c(nc3c3ccccc23)CCCC4)C[C@H]1O ZINC000040576281 EH Annotated Bother CC1(C)Oc2c(c3nc4c(nc3c3ccccc23)CCCC4)C[C@@H]1O ZINC000040576283 EH Annotated Bother CN(C)C12CC(=O)NC([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000040577046 EH Annotated Anodyne CN(C)C12CC(=O)NC([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040577048 EH Annotated Anodyne CN(C)C12CC(=O)NC([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000040577050 EH Annotated Anodyne CCOC(=O)C1=C(C)/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C ZINC000040577211 EH Annotated Anodyne COc1ccc([C@H]2[C@H]3CCc4ccc(F)cc4C3=NN2C(C)=O)cc1 ZINC000040584651 EH Annotated Anodyne CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1c(C)n[nH]c1-4 ZINC000040584963 EH Annotated Anodyne in-vivo N#C[C@@]12CCCC[C@@H](CC1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000040614185 EH Annotated Anodyne N#C[C@@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000040614186 EH Annotated Mild CCCCC[C@@H]1/C=C\[C@H]2C(=O)C[C@@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000040631960 EH Annotated Anodyne Clc1ccc(C2=CCc3ccccc3N=C2N2CCNCC2)cc1 ZINC000040639441 EH Annotated Anodyne COc1ccc(-c2csc3nc(O)c4cccn4c23)cc1OC ZINC000040646475 EH Annotated Anodyne N#C/C=C1/c2ccccc2N=C(NCCN2CCCC2)c2ccccc21 ZINC000040676351 EH Annotated Reactive C[C@@H]1CN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CCN1C ZINC000040676442 EH Annotated Reactive C[C@H]1CN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CCN1C ZINC000040676444 EH Annotated Reactive O=C1ON=C(c2cccs2)/C1=C/c1ccc(Br)cc1 ZINC000040685872 EH Annotated Mild C=C[C@]1(O)CC[C@H]2[C@@H]3CCc4c(ccc(O)c4F)[C@H]3[C@@H](OC)C[C@@]21C ZINC000040689084 EH Annotated Mild O=C1/C(=C/c2ccc[nH]2)CN(Cc2ccccc2)C/C1=C\c1ccc[nH]1 ZINC000040718605 EH Annotated Mild C=C1O[C@H](OC)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12 ZINC000040737349 EH Annotated Anodyne C[C@@]1([C@@H]2CO2)C[C@@H]2CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@]23O[C@H]3C1 ZINC000040741552 EH Annotated Anodyne C[C@]1([C@@H]2CO2)C[C@@H]2O[C@]23[C@H](CC[C@H]2[C@](C)(C(=O)O)CCC[C@]23C)C1 ZINC000040741553 EH Annotated Anodyne CC#CSc1nc([C@@H](C#N)c2cccc3ccccc23)c(C)c(=O)[nH]1 ZINC000040753236 EH Annotated Mild CC#CSc1nc([C@H](C#N)c2cccc3ccccc23)c(C)c(=O)[nH]1 ZINC000040753239 EH Annotated Mild COc1ccc([C@H]2[C@@H]3CCc4ccc(F)cc4C3=NN2C(C)=O)cc1 ZINC000040753802 EH Annotated Anodyne C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccc(C)cc1 ZINC000040762338 EH Annotated Mild COc1ccc(CN2C=Nc3ccc4nc(C#N)sc4c3C2)cc1 ZINC000040762473 EH Annotated Mild COc1ccc(-c2c(C)c(C#N)c(N)c(C#N)c2SC)c(OC)c1 ZINC000040763095 EH Annotated Mild CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O ZINC000040763362 EH Annotated Anodyne CC(C)NC(=O)N(c1ccc(F)cc1)c1ccnc(NC(C)C)n1 ZINC000040763374 EH Annotated Anodyne C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000040786865 EH Annotated Anodyne CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1ccccc1)CCC2 ZINC000040791379 EH Annotated Mild O=C(C1=N[C@H](c2c[nH]c3ccccc23)CN1)c1c[nH]c2ccccc12 ZINC000040792215 EH Annotated Anodyne CC(C)(O)[C@@H]1Cc2c(c3ccccc3c3nc4c(nc23)CCCC4)O1 ZINC000040810638 EH Annotated Bother CC(C)(O)[C@H]1Cc2c(c3ccccc3c3nc4c(nc23)CCCC4)O1 ZINC000040810639 EH Annotated Bother Cc1c([C@@H](C#N)c2ccccc2)nc(SC2CCCC2)[nH]c1=O ZINC000040812652 EH Annotated Mild Cc1c([C@H](C#N)c2ccccc2)nc(SC2CCCC2)[nH]c1=O ZINC000040812654 EH Annotated Mild O=C1c2ccccc2-c2nnc(-c3ccc(C4CCNCC4)cc3)cc21 ZINC000040822645 EH Annotated Clean C/C=C(/C)C(=O)O[C@H]1C[C@H]2O[C@]23Cc2occ(C)c2C[C@]3(C)[C@H]1C ZINC000040828697 EH Annotated Anodyne O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)C[C@@H]1CCCO1 ZINC000040829475 EH Annotated Anodyne O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)C[C@H]1CCCO1 ZINC000040829477 EH Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]12C=C(c1ccoc1)OC2 ZINC000040833925 EH Annotated Anodyne CCOC(=O)c1c(OC2C[C@@H](C)C[C@@H](C)C2)c(CC)c(C)[nH]c1=O ZINC000040835083 EH Annotated Anodyne C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)C(=O)OC3 ZINC000040835175 EH Annotated Anodyne O=C(c1ncco1)C1CCN(Cc2cc3ccccc3s2)CC1 ZINC000040835707 EH Annotated Anodyne O[C@@]1(c2ccc(-c3ccccc3F)cc2)CN2CCCC[C@@H]2CO1 ZINC000040835731 EH Annotated Anodyne O[C@]1(c2ccc(-c3ccccc3F)cc2)CN2CCCC[C@@H]2CO1 ZINC000040835733 EH Annotated Anodyne CCN1C(=O)[C@H](C)S/C1=N\c1nc2cc(Cl)ccc2s1 ZINC000040835881 EH Annotated Mild CCN1C(=O)[C@@H](C)S/C1=N\c1nc2cc(Cl)ccc2s1 ZINC000040835884 EH Annotated Mild COc1ccc(-c2ccc(/C=C/c3n(C)cc[n+]3C)o2)cc1Cl ZINC000040835987 EH Annotated Anodyne COc1cc(/C=C(\C#N)c2cccnc2)cc(Br)c1O ZINC000040843608 EH Annotated Reactive O=c1[nH]c2ccc(C(F)(F)F)cc2n1Cc1c(F)cccc1F ZINC000040845166 EH Annotated Anodyne CCCOCc1cc(Br)c(O)c(O)c1Br ZINC000040845245 EH Annotated Clean CCc1cccc(CC)c1NC(=S)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000040845424 EH Annotated Mild C=C1CC[C@@H]2CC[C@]34O[C@]3([C@@H](C/C(C)=C/C(=O)C1)O[C@H]4OC)C2(C)C ZINC000040845777 EH Annotated Mild Nc1ccccc1C#C/C=C\C#Cc1c(F)c(F)c(F)c(F)c1F ZINC000040845823 EH Annotated Mild Cc1[nH]ncc1-c1ccc2nc([C@H]3COc4ccccc4C3)[nH]c2c1 ZINC000040846202 EH Annotated Anodyne Cc1[nH]ncc1-c1ccc2nc([C@@H]3COc4ccccc4C3)[nH]c2c1 ZINC000040846204 EH Annotated Anodyne O=C1CCC2(Oc3cccc4cccc(c34)O2)c2c(O)ccc(O)c21 ZINC000040848185 EH Annotated Anodyne Cc1ccccc1-n1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000040860992 EH Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C ZINC000040862046 EH Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C ZINC000040862048 EH Annotated Anodyne CCOC(=O)c1cc2cc([C@]3(Cc4ccccc4)CCNC3)ccc2[nH]1 ZINC000040862247 EH Annotated Anodyne CCOC(=O)c1cc2cc([C@@]3(Cc4ccccc4)CCNC3)ccc2[nH]1 ZINC000040862249 EH Annotated Anodyne Fc1cccc(F)c1NC(=S)N/N=C\c1c[nH]c2ccccc12 ZINC000040863127 EH Annotated Mild Cc1cc(C)c(C/C(=N/NC(N)=O)c2cc3ccccc3o2)c(C)c1 ZINC000040864241 EH Annotated Reactive Cc1ccc(N2CCn3c(COc4ccc(Cl)cc4)nnc32)cc1 ZINC000040864583 EH Annotated Anodyne COc1cc(CC[N+](C)(C)[O-])c2c(c1OC)[C@H]1C=CC=C[C@@H]1C=C2 ZINC000040864981 EH Annotated Bother COc1cc(CC[N+](C)(C)[O-])c2c(c1OC)[C@H]1C=CC=C[C@H]1C=C2 ZINC000040864984 EH Annotated Bother COc1cc(CC[N+](C)(C)[O-])c2c(c1OC)[C@@H]1C=CC=C[C@@H]1C=C2 ZINC000040864987 EH Annotated Bother COc1cc(CC[N+](C)(C)[O-])c2c(c1OC)[C@@H]1C=CC=C[C@H]1C=C2 ZINC000040864990 EH Annotated Bother C=C1CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@H](O)OC1=O ZINC000040866547 EH Annotated Mild C=C1CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@@H](O)OC1=O ZINC000040866549 EH Annotated Mild CN1C[C@](O)(c2ccc(-c3cccs3)cc2)O[C@H]2CCCC[C@@H]21 ZINC000040866616 EH Annotated Anodyne CN1C[C@@](O)(c2ccc(-c3cccs3)cc2)O[C@H]2CCCC[C@@H]21 ZINC000040866617 EH Annotated Anodyne S=c1[nH]nc(Cc2c[nH]c3ccccc23)n1/N=C/c1ccccc1 ZINC000040872763 EH Annotated Mild CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)O[C@H]1c1ccccc1 ZINC000040873195 EH Annotated Anodyne CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)O[C@@H]1c1ccccc1 ZINC000040873197 EH Annotated Anodyne COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc(CN(C)C)c1)C2 ZINC000040873318 EH Annotated Mild C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@H]3[C@H](O)O[C@@H]4OC(=O)C[C@H]34)[C@H]12 ZINC000040873366 EH Annotated Mild COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN(C)C)cc1)C2 ZINC000040873513 EH Annotated Mild CC1(C)C[C@@]2(CN(Cc3ccccc3)C(=O)CO2)c2ccccc2O1 ZINC000040874225 EH Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccccc3)C(=O)CO2)c2ccccc2O1 ZINC000040874227 EH Annotated Anodyne CC(C)(CCO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040874739 EH Annotated Bother NCCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 ZINC000040875189 EH Annotated Anodyne COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000040875523 EH Annotated Mild COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000040875526 EH Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000040875529 EH Annotated Mild COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1ccccc1O[C@@H]3C ZINC000040875750 EH Annotated Anodyne COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1ccccc1O[C@H]3C ZINC000040875753 EH Annotated Anodyne CC1=C2CC/C(C=O)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O ZINC000040876447 EH Annotated Reactive CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1N1CCCCC1 ZINC000040877310 EH Annotated Anodyne COCCN1C(=O)c2cc(OC)c(OC)c3c2c1cc1ccccc13 ZINC000040878367 EH Annotated Bother CO[C@@H]1OC(=O)C=C1/C=C/[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000040878699 EH Annotated Mild C[C@H](Nc1nc(C#N)nc2c1NCN2C1CCCC1)c1ccccc1 ZINC000040880052 EH Annotated Mild C[C@@H](Nc1nc(C#N)nc2c1NCN2C1CCCC1)c1ccccc1 ZINC000040880056 EH Annotated Mild COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000040880537 EH Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000040880541 EH Annotated Mild C=CCN1CCC(COc2nc3sccc3n3cccc23)CC1 ZINC000040891617 EH Annotated Mild Cc1ccccc1C1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)CC1 ZINC000040892151 EH Annotated Anodyne CC[C@]1(O)C[C@]2(C)[C@@H](O)CC[C@H]2C2=C1c1ccc(OC)cc1CC2 ZINC000040892912 EH Annotated Anodyne CC[C@@]1(O)C[C@]2(C)[C@@H](O)CC[C@H]2C2=C1c1ccc(OC)cc1CC2 ZINC000040892915 EH Annotated Anodyne CC[C@@]12C[C@@H](O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 ZINC000040892961 EH Annotated Anodyne S=C(Nc1ccc(Br)cc1)OCCc1ccccn1 ZINC000040893618 EH Annotated Anodyne O=[N+]([O-])c1cc(NC(=S)OCCc2ccccn2)ccc1Cl ZINC000040894427 EH Annotated Bother CCn1cc(-c2ccc(OC)cc2)c(=O)c2c(OC)cc(OC)cc21 ZINC000040894699 EH Annotated Anodyne Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2cccnc2)n1 ZINC000040896345 EH Annotated Anodyne C=CC[C@@]1(O)C[C@]2(C)[C@@H](O)CC[C@H]2C2=C1c1ccc(OC)cc1CC2 ZINC000040896621 EH Annotated Mild C=CC[C@]1(O)C[C@]2(C)[C@@H](O)CC[C@H]2C2=C1c1ccc(OC)cc1CC2 ZINC000040896623 EH Annotated Mild O=c1c2ccccc2n2c(-c3ccccc3)nnc2n1-c1ccccc1 ZINC000040896875 EH Annotated Anodyne CC(C)C(=O)CC[C@]1(C)CCc2c(c3ccccc3n(C)c2=O)O1 ZINC000040897194 EH Annotated Anodyne CC(C)C(=O)CC[C@@]1(C)CCc2c(c3ccccc3n(C)c2=O)O1 ZINC000040897196 EH Annotated Anodyne O=C(c1cccnc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000040897484 EH Annotated Bother CN(C)c1ccc(-c2cc3ncccc3c(NC(C)(C)CN)n2)cc1 ZINC000040898612 EH Annotated Anodyne CCCC(=O)NNc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)OCC ZINC000040900337 EH Annotated Reactive CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1NNC(=O)C(C)C ZINC000040900626 EH Annotated Reactive Cc1cc(C)nc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)n1 ZINC000040901250 EH Annotated Anodyne Cc1cc(C)nc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)n1 ZINC000040901253 EH Annotated Anodyne CN(C)CCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000040901299 EH Annotated Anodyne C[C@]1(O)C[C@@H](CSC#N)O[C@@H](c2ccc(Br)cc2)C1 ZINC000040914044 EH Annotated Reactive Cc1nnc2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3n12 ZINC000040914218 EH Annotated Bother CCN(CC)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 ZINC000040914318 EH Annotated Anodyne CCCCSc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1 ZINC000040915606 EH Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Nc1cccc(F)c1 ZINC000040916459 EH Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Nc1cccc(F)c1 ZINC000040916461 EH Annotated Mild O=c1[nH]c2occ(-c3ccc(Br)cc3)c2n2cccc12 ZINC000040916762 EH Annotated Anodyne S=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2ccccc2)=N1 ZINC000040917003 EH Annotated Anodyne O=C(CN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000040917378 EH Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccco2)c(CN2CCCCC2)c1O ZINC000040917687 EH Annotated Mild COc1cc(OC)c2c(-c3ccc4c(ccn4C)c3)cc(=O)oc2c1 ZINC000040917748 EH Annotated Anodyne Cc1ccccc1Nc1ncn(CC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000040918058 EH Annotated Bother CCOC(=O)C1=NO[C@H](c2ccc(-c3ccc(OC)c(F)c3)cc2)C1 ZINC000040918153 EH Annotated Anodyne CCOC(=O)C1=NO[C@@H](c2ccc(-c3ccc(OC)c(F)c3)cc2)C1 ZINC000040918154 EH Annotated Anodyne C=CC1=C(C)C(=O)C=C2[C@@]1(O)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC ZINC000040918779 EH Annotated Mild C=CC1=C(C)C(=O)C=C2[C@]1(O)CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC ZINC000040918780 EH Annotated Mild C=C1C(=O)C(O)=C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)OC)CC[C@@]12C ZINC000040933003 EH Annotated Mild CC1=CC(=O)[C@H]2[C@@H]3CC[C@H](C(C)C)[C@@]3(C(=O)O)CC[C@@]2(C)CC1=O ZINC000040934896 EH Annotated Mild CCSC(=S)SCC(=O)c1ccc(CN(C)C(C)=O)cc1 ZINC000040935305 EH Annotated Anodyne Cc1ncccc1Oc1ccc(NC(=O)c2nc3ccccc3[nH]2)cn1 ZINC000040935740 EH Annotated Anodyne N#Cc1ccc(N2C(=O)c3ccccc3C3(CCCCC3)C2=O)cc1 ZINC000040935983 EH Annotated Mild Cc1c(OCc2cccc(Cl)c2)cccc1C1(O)CCNCC1 ZINC000040937312 EH Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cccc(C3CCNCC3)c2C)cc1 ZINC000040937941 EH Annotated Anodyne COc1ccc(-c2c(C)c(N3CCCCC3)c(C#N)c(N)c2C#N)cc1 ZINC000040938144 EH Annotated Mild CC1=C[C@H]2O[C@@H]3OC(=O)[C@@]4(C)CCC[C@]3([C@H]1CC(=O)c1ccoc1)[C@@H]24 ZINC000040938712 EH Annotated Anodyne in-vitro biogenic C[C@@]12C=C[C@H]3[C@]4(C)CCC[C@]3([C@@H](OC4=O)O1)[C@H]2CC(=O)c1ccoc1 ZINC000040938714 EH Annotated Anodyne in-vitro biogenic C[C@@]12C=C[C@H]3[C@]4(C)CCC[C@]3([C@H](OC4=O)O1)[C@H]2CC(=O)c1ccoc1 ZINC000040938716 EH Annotated Anodyne CCC[C@H]1CN=C2N(CC3CCC3)[C@@H](Cc3ccc(OC)cc3)CN21 ZINC000040939028 EH Annotated Anodyne CC(=O)Oc1c2c(c3ccccc3c1OC(C)=O)OC(C)(C)C=C2 ZINC000040939559 EH Annotated Anodyne CCC[C@H]1CN=C2N1C[C@@H](Cc1ccc(OC)cc1)N2CC1CCC1 ZINC000040939769 EH Annotated Anodyne CN(C)c1ccc(N2Cc3cc(OCCCF)ccc3C2=O)cc1 ZINC000040943084 EH Annotated Anodyne CCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(C)c2ccccc12 ZINC000040943164 EH Annotated Bother O=C(Nc1ccccc1)OCc1cc(=O)n(-c2ccccc2)s1 ZINC000040950908 EH Annotated Anodyne CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)Oc2ccccc2C1=O ZINC000040951747 EH Annotated Anodyne CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@]1(C)Oc2ccccc2C1=O ZINC000040951749 EH Annotated Anodyne Cc1sc2nc(C(=O)c3ccccc3)n3c(=S)[nH]nc3c2c1C ZINC000040952945 EH Annotated Anodyne O[C@@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCCC[C@@H]2CO1 ZINC000040953331 EH Annotated Anodyne O[C@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCCC[C@@H]2CO1 ZINC000040953333 EH Annotated Anodyne CC(C)(C)n1ncc(OCc2ccc3ncccc3c2)c(Cl)c1=O ZINC000040954444 EH Annotated Anodyne CCOC(=O)c1c(OC2C[C@@H](C)C[C@H](C)C2)c(CC)c(C)[nH]c1=O ZINC000040955028 EH Annotated Anodyne CCOC(=O)c1c(OC2C[C@H](C)C[C@@H](C)C2)c(CC)c(C)[nH]c1=O ZINC000040955030 EH Annotated Anodyne CCCCCCOC(=O)C1=NO[C@H](CCCC[C@@H]2CCC(=O)O2)C1 ZINC000040955277 EH Annotated Anodyne CCCCCCOC(=O)C1=NO[C@@H](CCCC[C@@H]2CCC(=O)O2)C1 ZINC000040955280 EH Annotated Anodyne CCCCCCOC(=O)C1=NO[C@H](CCCC[C@H]2CCC(=O)O2)C1 ZINC000040955283 EH Annotated Anodyne CCCCCCOC(=O)C1=NO[C@@H](CCCC[C@H]2CCC(=O)O2)C1 ZINC000040955286 EH Annotated Anodyne O=C(c1ccc(O)c(O)c1)c1cnc(NCc2ccc(F)cc2)s1 ZINC000040955289 EH Annotated Clean CN1CCC[C@@H]1[C@@H]1C[S@@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 ZINC000040955537 EH Annotated Anodyne CN1CCC[C@@H]1[C@@H]1C[S@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 ZINC000040955540 EH Annotated Anodyne Cc1ccc([C@H](NCC(C)C)[C@H](CO)OCc2ccccc2)cc1 ZINC000040955833 EH Annotated Anodyne S=c1[nH]nc2c3c4c(sc3nc(-c3ccncc3)n12)CCCC4 ZINC000040956426 EH Annotated Anodyne COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1cc[nH]c(=O)c21 ZINC000040956450 EH Annotated Bother CCCN1COC[C@@H](Oc2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000040956709 EH Annotated Anodyne Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1 ZINC000040957062 EH Annotated Anodyne CCOC(OCC)c1ccc(/C=C/c2ncc([N+](=O)[O-])n2C)cc1 ZINC000040973041 EH Annotated Bother Cc1ccc(-c2ccc(S(=O)(=O)/N=c3/cccc(C)[nH]3)cc2)cc1 ZINC000040973122 EH Annotated Anodyne CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C(F)(F)F ZINC000040973320 EH Annotated Anodyne CCN1C(=O)[C@H](C)S/C1=N\c1nc2c(Cl)cccc2s1 ZINC000040973354 EH Annotated Mild CCN1C(=O)[C@@H](C)S/C1=N\c1nc2c(Cl)cccc2s1 ZINC000040973356 EH Annotated Mild C1#Cc2ccc[n+](c2)CCCC[n+]2cccc(c2)C#CCCCCCC1 ZINC000040973396 EH Annotated Mild COc1ccc(/C(=N\N)c2ccc3ccccc3c2)c(OC)c1OC ZINC000040973746 EH Annotated Mild CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1C(F)(F)F ZINC000040973909 EH Annotated Anodyne Cc1nc2c3c(c(-n4cncn4)cn2c1C)CC[C@@H](c1ccccc1)N3 ZINC000040974432 EH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccccn3)CC1)C2 ZINC000040974585 EH Annotated Anodyne O=C(O)CSc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1 ZINC000040975838 EH Annotated Anodyne O=C(/C=C/c1ccccc1Cl)c1cccc(N2CCNCC2)c1 ZINC000040976093 EH Annotated Mild Cc1nc2c(NCc3ccccc3)cc(-n3ccccc3=O)cn2c1C ZINC000040976498 EH Annotated Anodyne O=C(c1cccnc1)n1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000040977371 EH Annotated Bother CO[C@@H]1CC[C@@H]1N1C(=O)CS[C@H]1c1c(Cl)cccc1Cl ZINC000040979245 EH Annotated Anodyne CO[C@@H]1CC[C@H]1N1C(=O)CS[C@H]1c1c(Cl)cccc1Cl ZINC000040979248 EH Annotated Anodyne C/C1=C/C(=O)CC2=C[C@@H](OC2=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC1 ZINC000040980248 EH Annotated Mild Cc1ccnc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)n1 ZINC000040980416 EH Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)n1 ZINC000040980418 EH Annotated Anodyne N#CCc1ccccc1NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 ZINC000040980758 EH Annotated Mild CN(C)c1ccc(/C=C\c2sc3cc([N+](=O)[O-])ccc3[n+]2C)cc1 ZINC000042682163 EH Annotated Clean CC/C(=C\[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@@H]1O[C@@H]1CC ZINC000042834579 EH Annotated Reactive CC/C(=C\[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@H]1O[C@H]1CC ZINC000042835423 EH Annotated Reactive CCCCC(CCCC)N1N=C(c2cccnc2OCC)OCC1=O ZINC000042887659 EH Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2F)N1C1[C@@H](Cl)C[C@H]1Cl ZINC000042888068 EH Annotated Reactive O=C1CS[C@@H](c2c(F)cccc2F)N1C1[C@@H](Cl)C[C@H]1Cl ZINC000042888071 EH Annotated Reactive O=C1CS[C@H](c2c(F)cccc2F)N1C1[C@@H](Cl)C[C@@H]1Cl ZINC000042888074 EH Annotated Reactive O=C1CS[C@@H](c2c(F)cccc2F)N1C1[C@@H](Cl)C[C@@H]1Cl ZINC000042888077 EH Annotated Reactive CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1 ZINC000042919889 EH Annotated Anodyne CCN(CC)C(=S)Nc1sc2c(c1C(=O)O)[C@@H](C)CCC2 ZINC000042920651 EH Annotated Anodyne CCN(CC)C(=S)Nc1sc2c(c1C(=O)O)[C@H](C)CCC2 ZINC000042920653 EH Annotated Anodyne O=C(NCCc1ccccc1)Oc1ccc(C2=NCCS2)cc1 ZINC000042921248 EH Annotated Anodyne CCC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)C(=O)CC(C)(C)O2 ZINC000042921363 EH Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1ccc(Cl)cc1 ZINC000042921439 EH Annotated Bother CCCOC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 ZINC000042921450 EH Annotated Anodyne N#Cc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1 ZINC000042922434 EH Annotated Mild O=c1c(SC(=S)N2CCCC2)coc2ccc(Cl)cc12 ZINC000042922438 EH Annotated Anodyne Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 ZINC000042922533 EH Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(/N=C/c2ccc(N)cc2)s1 ZINC000042966183 EH Annotated Mild Cc1cccc(OC(C)(C)C(=O)N/N=C/c2ccccc2Cl)c1 ZINC000042966980 EH Annotated Reactive CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 ZINC000042989092 EH Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(/N=C/c2cccc(O)c2)s1 ZINC000043010047 EH Annotated Mild C=CCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21 ZINC000043010498 EH Annotated Mild O=S(=O)(c1cc(Cl)ccc1Cl)n1ccc2ncccc21 ZINC000043010628 EH Annotated Anodyne Cc1ccc(C(=O)CCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000043011628 EH Annotated Bother Cc1c(CN2CCN(C(=O)NC(C)(C)C)CC2)sc2ccccc12 ZINC000043012313 EH Annotated Anodyne Cc1ccc(CNC(=O)Oc2ccc(C3=NCCS3)cc2)cc1 ZINC000043013315 EH Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN(C(C)C)C(C)C)[C@@H]2CC1 ZINC000043013492 EH Annotated Anodyne OCc1c(CO)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1-2 ZINC000043017192 EH Annotated Anodyne COC1=C[C@H]2[C@H](C=C1)Sc1ccccc1N2C[C@H](C)CN(C)C ZINC000043017549 EH Annotated Anodyne COc1ccc2cc(C(=O)[C@H]3CN=C4C=CC=C(C)N4C3)ccc2c1 ZINC000043018021 EH Annotated Anodyne COc1ccc2cc(C(=O)[C@@H]3CN=C4C=CC=C(C)N4C3)ccc2c1 ZINC000043018025 EH Annotated Anodyne O=S(=O)(c1c(Cl)cccc1Cl)n1ccc2ncccc21 ZINC000043019758 EH Annotated Anodyne O=C(/C=C/c1cnc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 ZINC000043020689 EH Annotated Mild COc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1 ZINC000043021590 EH Annotated Anodyne CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1 ZINC000043021829 EH Annotated Anodyne CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O ZINC000043022319 EH Annotated Anodyne CN(CCCn1c(=O)oc2ccccc21)Cc1ccccc1Cl ZINC000043022889 EH Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(/N=C/c2ccccc2)s1 ZINC000043024497 EH Annotated Mild O=C(NCc1ccco1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 ZINC000043024682 EH Annotated Clean N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1 ZINC000043024787 EH Annotated Mild CCCCCN1C(=O)CN(C)c2ncc(-c3ccc(F)c(F)c3)cc21 ZINC000043059319 EH Annotated Anodyne CCc1c(Oc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O ZINC000043060001 EH Annotated Anodyne CCCCC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 ZINC000043061229 EH Annotated Anodyne O=C1N(CCN2[C@H]3CCC[C@@H]2CC3)CCN1c1cccc(Cl)c1 ZINC000043061557 EH Annotated Anodyne Cc1ccccc1CNC(=O)Oc1ccc(C2=NCCS2)cc1 ZINC000043062395 EH Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(/N=C/c2ccccc2O)s1 ZINC000043063101 EH Annotated Mild COc1ccc2cc(C(=O)[C@H]3CN=C4C=C(C)C=CN4C3)ccc2c1 ZINC000043064872 EH Annotated Anodyne COc1ccc2cc(C(=O)[C@@H]3CN=C4C=C(C)C=CN4C3)ccc2c1 ZINC000043064878 EH Annotated Anodyne CCCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21 ZINC000043066867 EH Annotated Anodyne C=CC(C)(C)c1c2c(c(OC)c3ccc(=O)oc13)[C@@H]1O[C@@H]1C(C)(C)O2 ZINC000043067202 EH Annotated Mild C=CC(C)(C)c1c2c(c(OC)c3ccc(=O)oc13)[C@H]1O[C@H]1C(C)(C)O2 ZINC000043067206 EH Annotated Mild C#C/C=C\C[C@@H](Cl)[C@H]1C[C@@H](OC(C)=O)[C@H](/C=C\[C@H](Cl)CC)O1 ZINC000043069186 EH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(/N=C/c2ccc(O)cc2)s1 ZINC000043070538 EH Annotated Mild O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1ccccc1Cl ZINC000043078061 EH Annotated Bother C1=N/c2ncccc2OCCOc2cccnc2/N=C/c2ccccc2/1 ZINC000043078500 EH Annotated Anodyne COc1ccc(CN(C)[C@@H](C)CCn2c(=O)oc3ccccc32)cc1 ZINC000043078679 EH Annotated Anodyne COc1ccc(CN(C)[C@H](C)CCn2c(=O)oc3ccccc32)cc1 ZINC000043078681 EH Annotated Anodyne C=C(C)[C@H](O)CCC(=C)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043100164 EH Annotated Reactive C=C(C)[C@@H](O)CCC(=C)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043100167 EH Annotated Reactive C=C(CC[C@@H](O)C(=C)C)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043100171 EH Annotated Reactive C=C(C)[C@@H](O)CCC(=C)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043100175 EH Annotated Reactive O=S(=O)(c1cccc(Cl)c1Cl)n1ccc2ncccc21 ZINC000043119951 EH Annotated Anodyne CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(N(C)C)cc1 ZINC000043120640 EH Annotated Anodyne CCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21 ZINC000043120789 EH Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCCC3)[C@@H]2CC1 ZINC000043122034 EH Annotated Anodyne CN(CCCn1c(=O)oc2ccccc21)Cc1ccc(Cl)cc1 ZINC000043122135 EH Annotated Anodyne CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(C(C)=O)cc1 ZINC000043123159 EH Annotated Anodyne CC1(C)CC(=O)c2nc3ccccc3nc2-c2ccccc2C(=O)O1 ZINC000043123234 EH Annotated Anodyne Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCCC2)n1 ZINC000043199897 EH Annotated Anodyne CC1=C(C)C(=O)C([C@H](CCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000043260091 EH Annotated Mild CCCCCCCN(C)C(=N)N/N=C/c1c[nH]c2ccc(O)cc12 ZINC000043273703 EH Annotated Mild CCCCCCCCCCCCc1cccc([C@@H](O)[C@@H](N)CO)n1 ZINC000043274158 EH Annotated Mild CCCCCCCCCCC#Cc1cc([C@@H](O)[C@@H](N)CO)cs1 ZINC000043278718 EH Annotated Mild CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000043307964 EH Annotated Reactive C=CCNC(=O)COC1=CC(=O)S[C@]1(C)CCCCCCCC ZINC000043450702 EH Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C/C=C(\CO)C(=O)C(=O)O ZINC000043511139 EH Annotated Mild C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C/C=C(\CO)C(=O)C(=O)O ZINC000043511141 EH Annotated Mild CCCCCCCC(=O)OC[C@H]1OC(=O)N[C@@H]1Cc1ccccc1 ZINC000043531867 EH Annotated Mild CC[C@@H]1C[C@](C)(C[C@@H](CC)[C@H]2O[C@@H]2CC)OO[C@@H]1CC(=O)OC ZINC000043532585 EH Annotated Reactive CC[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 ZINC000043552950 EH Annotated Reactive C=C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 ZINC000043562019 EH Annotated Reactive C1=C[C@H](COCc2ccccc2)OO[C@@H]1COCc1ccccc1 ZINC000043562037 EH Annotated Reactive c1cnn(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c1 ZINC000043569602 EH Annotated Reactive c1c[nH]c(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n1 ZINC000043569612 EH Annotated Reactive C1CC2(CCC1CNC1CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043569632 EH Annotated Reactive Cc1ccc(-c2cccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2)o1 ZINC000043708785 EH Annotated Anodyne C[C@@H]1CCC[C@@]23OO[C@@](C)(CC[C@@H]12)O[C@H]3OC(=O)Cc1ccccc1 ZINC000043834361 EH Annotated Reactive C[C@@H]1CCC[C@]23OO[C@](C)(CC[C@@H]12)O[C@H]3OC(=O)Cc1ccccc1 ZINC000043834366 EH Annotated Reactive C=C(c1ccccc1)[C@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000044018438 EH Annotated Reactive C=C(c1ccccc1)[C@@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000044018440 EH Annotated Reactive COC(=O)/C=C/[C@@]1(C)CCOC(=C2C3CC4CC(C3)CC2C4)OO1 ZINC000044018530 EH Annotated Reactive COC(=O)/C=C/[C@]1(C)CCOC(=C2C3CC4CC(C3)CC2C4)OO1 ZINC000044018532 EH Annotated Reactive CC[C@@H]1O[C@H]1[C@H](CC)C[C@@]1(C)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 ZINC000044069302 EH Annotated Reactive CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CC)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000044201655 EH Annotated Reactive CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H]1O4 ZINC000044264757 EH Annotated Reactive CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H]1O4 ZINC000044264762 EH Annotated Reactive COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2O ZINC000044386330 EH Annotated Mild in-vitro CC(C)C1=C(O)C(=O)C2=C(C(=O)C(O)=C3C(C)(C)CCC[C@]23C)C1=O ZINC000044387093 EH Annotated Mild in-vitro biogenic C=C[C@H](C#CC#C/C=C\[C@H](CCCCCCC)OC(C)=O)OC(C)=O ZINC000044403974 EH Annotated Mild C=C[C@H](C#CC#C/C=C\[C@@H](CCCCCCC)OC(C)=O)OC(C)=O ZINC000044403978 EH Annotated Mild C=C[C@@H](C#CC#C/C=C\[C@H](CCCCCCC)OC(C)=O)OC(C)=O ZINC000044403982 EH Annotated Mild C=C[C@@H](C#CC#C/C=C\[C@@H](CCCCCCC)OC(C)=O)OC(C)=O ZINC000044403986 EH Annotated Mild C#C/C=C\C[C@@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl ZINC000044431050 EH Annotated Reactive Clc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 ZINC000044895072 EH Annotated Anodyne COc1ccc(Cl)cc1-c1nc(/C=N/c2ccccn2)c(O)o1 ZINC000004590658 EH Annotated Mild C/C(=N\Nc1nc(N)cc(Cl)n1)c1ccc(Cl)c(Cl)c1 ZINC000004595705 EH Annotated Mild CCSC1=N[P@@](=S)(SCC)Nc2nc3n(c21)CCC3 ZINC000004626346 EH Annotated Reactive CCCCC/N=C(\O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000004660499 EH Annotated Mild CCCCC/N=C(\O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000004660500 EH Annotated Mild CN(C)C(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC(C)(C)O2 ZINC000004665157 EH Annotated Anodyne CC1=C[C@@]2(CC[C@@H](C)C[C@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O ZINC000004670307 EH Annotated Anodyne CC1=C[C@@]2(CC[C@H](C)C[C@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O ZINC000004670308 EH Annotated Anodyne CC1=C[C@]2(CC[C@@H](C)C[C@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O ZINC000004670309 EH Annotated Anodyne CC1=C[C@]2(CC[C@H](C)C[C@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O ZINC000004670310 EH Annotated Anodyne CC[C@H](/C(O)=N/[C@@H]1CCC[C@H](C)[C@@H]1C)N1C(=O)COc2ccccc21 ZINC000004686777 EH Annotated Mild CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 ZINC000004729602 EH Annotated Clean CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 ZINC000004729605 EH Annotated Clean CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 ZINC000004729607 EH Annotated Clean CC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 ZINC000004729728 EH Annotated Clean aggregator CC[C@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 ZINC000004729731 EH Annotated Clean aggregator CC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 ZINC000004729733 EH Annotated Clean aggregator CC[C@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 ZINC000004729734 EH Annotated Clean aggregator CC/C(=N/Cc1ccccc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O ZINC000004756705 EH Annotated Mild CS[P@@]1(=S)N=C(NCc2ccccc2)C(C#N)=C2CCCN21 ZINC000004776635 EH Annotated Reactive CS[P@]1(=S)N=C(NCc2ccccc2)C(C#N)=C2CCCN21 ZINC000004776637 EH Annotated Reactive CCCCCn1nc(C)c(/C=N\NC(=O)c2cc(C)oc2C)c1C ZINC000004838064 EH Annotated Reactive CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCC(C)CC1 ZINC000004847740 EH Annotated Anodyne CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CCC(C)CC1 ZINC000004847741 EH Annotated Anodyne C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc(-n2ccnc2)cc1 ZINC000004863618 EH Annotated Reactive C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(C)cc1C ZINC000004863751 EH Annotated Reactive C/C(=N\NC(=O)c1nc2ccccn2c1C)c1cc2ccccc2o1 ZINC000004863946 EH Annotated Reactive CCN(CC)CCNC(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000004885939 EH Annotated Anodyne C=CCN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1cc(C)cc(C)c1)C2 ZINC000004887875 EH Annotated Mild CCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c2c1 ZINC000004903862 EH Annotated Anodyne Cc1ccc2cc3cc(C(=O)NCCCOC(C)C)oc3nc2c1 ZINC000004906649 EH Annotated Anodyne Cc1ccccc1Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21 ZINC000004906672 EH Annotated Anodyne C1=C(c2ccccc2)CCN(c2nc3ccccc3n3cnnc23)C1 ZINC000004910291 EH Annotated Anodyne O=C1c2ccccc2[C@H](Nc2ccc3c(c2)OCO3)N1Cc1ccco1 ZINC000004914489 EH Annotated Anodyne O=C1c2ccccc2[C@@H](Nc2ccc3c(c2)OCO3)N1Cc1ccco1 ZINC000004914497 EH Annotated Anodyne C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1Cl ZINC000004915098 EH Annotated Reactive C[C@H]1C[C@@H](C)CN(C(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)C1 ZINC000004920381 EH Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)C1 ZINC000004920384 EH Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)C1 ZINC000004920389 EH Annotated Anodyne COc1cc(/C=N/Nc2ccc(C)cc2)cc(Br)c1O ZINC000004921542 EH Annotated Mild CCc1c(C)sc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])c1C#N ZINC000004937674 EH Annotated Mild Cc1ccc2oc(=O)c3cc(C(=O)Nc4cc(C)on4)sc3c2c1 ZINC000004939283 EH Annotated Anodyne Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccco3)ncn2)n1 ZINC000004952813 EH Annotated Mild CCOc1ccccc1C(=O)n1nc(N)c2cc3ccc(C)cc3nc21 ZINC000004961910 EH Annotated Anodyne O=C(N/N=C1\C[C@H]2CC=C[C@H]12)c1ccc(COc2ccccc2)cc1 ZINC000004965057 EH Annotated Reactive O=C(N/N=C1\C[C@@H]2CC=C[C@H]12)c1ccc(COc2ccccc2)cc1 ZINC000004965059 EH Annotated Reactive O=C(N/N=C1\C[C@H]2CC=C[C@@H]12)c1ccc(COc2ccccc2)cc1 ZINC000004965062 EH Annotated Reactive O=C(N/N=C1\C[C@@H]2CC=C[C@@H]12)c1ccc(COc2ccccc2)cc1 ZINC000004965066 EH Annotated Reactive CCc1ccc(CNC(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000004969559 EH Annotated Anodyne CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1 ZINC000004982640 EH Annotated Clean Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)O)c(C)nc32)cc1C ZINC000004992333 EH Annotated Anodyne Cc1cc(N2Cc3ccccc3C2)nc(Nc2cccc(C#N)c2)n1 ZINC000045167316 EH Annotated Mild CCC[C@@H](C)Nc1nc(C)cc(NCCC(=O)Nc2ccccc2)n1 ZINC000045168420 EH Annotated Anodyne CCC[C@H](C)Nc1nc(C)cc(NCCC(=O)Nc2ccccc2)n1 ZINC000045168422 EH Annotated Anodyne CCNc1cc(CCCC(=O)OCC)nc(Nc2ccc(C)cc2)n1 ZINC000045168836 EH Annotated Anodyne Cc1cc(N(C)CCCN(C)C)nc(Nc2ccc(Cl)cc2)n1 ZINC000045190670 EH Annotated Anodyne COc1ccc2c(N/N=C/c3ccccc3[N+](=O)[O-])cc(C)nc2c1 ZINC000045191338 EH Annotated Mild Oc1ccc(/C=N/N=C(/S)Nc2cccc3ccccc23)c(O)c1 ZINC000045191358 EH Annotated Mild COc1cc(NC(=O)/N=c2\cc(C)[nH]c3ccccc23)cc(OC)c1 ZINC000045191966 EH Annotated Anodyne Nc1nccc(-c2ccc3c(-c4cccc(F)c4)cnc(N)c3c2)n1 ZINC000045195845 EH Annotated Anodyne CCCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(C)cc2)n1 ZINC000045196320 EH Annotated Anodyne O=[N+]([O-])c1ccccc1/C=N/N=c1/c2c([nH]c3ccccc13)CCCC2 ZINC000045201531 EH Annotated Mild Cc1c/c(=N\N=C\c2ccccn2)c2cc(C(F)(F)F)ccc2[nH]1 ZINC000045201578 EH Annotated Mild CCCc1cc(=O)oc2cc(OC)c(C(=O)CC(C)C)c(OC)c12 ZINC000045202561 EH Annotated Anodyne CN(C)CCOc1cc(O)c2c(c1)OC(C)(C)C=C2c1cccs1 ZINC000045228788 EH Annotated Anodyne COc1ccc([C@H]2c3ccccc3-c3nc(N)nc(N)c3[C@H]2C)cc1 ZINC000045228836 EH Annotated Anodyne COc1ccc([C@H]2c3ccccc3-c3nc(N)nc(N)c3[C@@H]2C)cc1 ZINC000045228839 EH Annotated Anodyne COc1ccc([C@@H]2c3ccccc3-c3nc(N)nc(N)c3[C@H]2C)cc1 ZINC000045228843 EH Annotated Anodyne COc1ccc([C@@H]2c3ccccc3-c3nc(N)nc(N)c3[C@@H]2C)cc1 ZINC000045228846 EH Annotated Anodyne N#Cc1ccc2[nH]c(-c3cc(-c4cccc(F)c4)cnc3N)nc2c1 ZINC000045229634 EH Annotated Mild CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(Cl)ccc21 ZINC000045244909 EH Annotated Anodyne Cn1cc(C(=O)C(=O)Nc2cccc3c(O)cccc23)c2ccccc21 ZINC000045245288 EH Annotated Anodyne Cc1cc(C)c(NC(=O)[C@@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 ZINC000045245651 EH Annotated Anodyne Cc1cc(C)c(NC(=O)[C@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 ZINC000045245652 EH Annotated Anodyne Cc1cc(C)c(NC(=O)[C@@H]2CCCC[C@H]2C)cc1CN1CCOCC1 ZINC000045245653 EH Annotated Anodyne Cc1cc(C)c(NC(=O)[C@H]2CCCC[C@H]2C)cc1CN1CCOCC1 ZINC000045245654 EH Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000045245863 EH Annotated Anodyne c1ccc2cc(Cc3nc4c(N5CCNCC5)cccc4[nH]3)ccc2c1 ZINC000045246065 EH Annotated Anodyne c1ccc2c(Cc3nc4ccc(N5CCNCC5)cc4[nH]3)cccc2c1 ZINC000045253130 EH Annotated Anodyne CNc1ccc(/C=C/C(=O)c2ccc(OCCOCCF)cc2)cc1 ZINC000045254120 EH Annotated Mild CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCCC1 ZINC000045254341 EH Annotated Anodyne O=C1C(c2ccc(Cl)c(Cl)c2)=[N+]([O-])c2cc3c(cc21)OCO3 ZINC000045254367 EH Annotated Anodyne O=c1c2c3c(sc2nc2n1CCCCC2)C(Cl)=C(/C=N/O)CC3 ZINC000045255087 EH Annotated Mild CC(C)=CCC/C(C)=C/CNCCN[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3 ZINC000045255369 EH Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3 ZINC000045255373 EH Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1OC1CCCCC1 ZINC000045255718 EH Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1OC1CCCCC1 ZINC000045255721 EH Annotated Mild O=C(c1ccccc1)c1ccc(-n2cnc3c(Cl)ncnc32)cc1 ZINC000045256711 EH Annotated Anodyne COc1ccc2cc(C3=[N+]([O-])c4ccccc4C3=O)cc(OC)c2c1 ZINC000045257085 EH Annotated Anodyne Cc1c(-c2ccc(C(=O)c3ccccc3)cc2)nnn1-c1cccnc1 ZINC000045257123 EH Annotated Anodyne CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000045257824 EH Annotated Anodyne O=C1C[C@@H](C2CCN(CCc3ccccc3)CC2)Oc2ccccc21 ZINC000045259178 EH Annotated Anodyne O=C1C[C@H](C2CCN(CCc3ccccc3)CC2)Oc2ccccc21 ZINC000045259181 EH Annotated Anodyne COc1ccc2c(c1)C(=O)C(c1cc(OC)c3ccccc3c1)=[N+]2[O-] ZINC000045259522 EH Annotated Anodyne Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C)cc(CN2CCOCC2)c1C ZINC000045259912 EH Annotated Anodyne Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C)cc(CN2CCOCC2)c1C ZINC000045259915 EH Annotated Anodyne Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C)cc(CN2CCOCC2)c1C ZINC000045259917 EH Annotated Anodyne Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C)cc(CN2CCOCC2)c1C ZINC000045259920 EH Annotated Anodyne Cc1cc(OC(=O)c2c(F)cccc2F)n(Cc2ccccc2)n1 ZINC000045260249 EH Annotated Anodyne Cc1cc(C)cc(-n2ncc3c(NC(=O)c4nonc4C)cccc32)c1 ZINC000045260297 EH Annotated Anodyne CCN(CC)C(=O)/C(=N\O)c1c[nH]c2c1ccc1c3ccccc3[nH]c12 ZINC000045283511 EH Annotated Mild CC(C)CC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045283593 EH Annotated Mild CC[C@H](C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045284305 EH Annotated Mild C[S@@](=O)c1ccc(-c2coc3ccc(-c4nnc(O)o4)cc23)cc1 ZINC000045284406 EH Annotated Anodyne C[S@](=O)c1ccc(-c2coc3ccc(-c4nnc(O)o4)cc23)cc1 ZINC000045284408 EH Annotated Anodyne CCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045284988 EH Annotated Mild CC[C@@H](C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045284990 EH Annotated Mild CCn1ccc2cc([C@H](O)c3ccc(OC)c(OC)c3OC)ccc21 ZINC000045286336 EH Annotated Anodyne CCn1ccc2cc([C@@H](O)c3ccc(OC)c(OC)c3OC)ccc21 ZINC000045286338 EH Annotated Anodyne c1ccc2c(Cc3nc4c(N5CCNCC5)cccc4[nH]3)cccc2c1 ZINC000045288507 EH Annotated Anodyne Clc1ncn2c1Cc1cncnc1-c1cc(Br)ccc1-2 ZINC000045289755 EH Annotated Anodyne Cc1cc(F)c(NC(=O)[C@@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 ZINC000045289784 EH Annotated Anodyne Cc1cc(F)c(NC(=O)[C@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 ZINC000045289787 EH Annotated Anodyne Cc1cc(F)c(NC(=O)[C@@H]2CCCC[C@H]2C)cc1CN1CCOCC1 ZINC000045289789 EH Annotated Anodyne Cc1cc(F)c(NC(=O)[C@H]2CCCC[C@H]2C)cc1CN1CCOCC1 ZINC000045289792 EH Annotated Anodyne Clc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1 ZINC000045291197 EH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 ZINC000045291462 EH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 ZINC000045291465 EH Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C)cc1CN1CCOCC1 ZINC000045291468 EH Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)cc1CN1CCOCC1 ZINC000045291471 EH Annotated Anodyne CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccn[nH]1 ZINC000045291673 EH Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccn[nH]1 ZINC000045291676 EH Annotated Anodyne Cc1n[nH]c(-c2ccc3occ(-c4ccc([S@](C)=O)cc4)c3c2)n1 ZINC000045298633 EH Annotated Anodyne Cc1n[nH]c(-c2ccc3occ(-c4ccc([S@@](C)=O)cc4)c3c2)n1 ZINC000045298635 EH Annotated Anodyne CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccc(Cl)cc21 ZINC000045299278 EH Annotated Anodyne Cc1cc(-n2nnc3c4sc(C#N)nc4ccc32)c2ccccc2n1 ZINC000045299630 EH Annotated Mild CCc1cn([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc12 ZINC000045300091 EH Annotated Anodyne CC(C)[C@@H]1c2ccc(O)cc2C[C@H]2C(=O)N(C3CCCCC3)C(=O)N21 ZINC000045301468 EH Annotated Anodyne CC(C)[C@H]1c2ccc(O)cc2C[C@H]2C(=O)N(C3CCCCC3)C(=O)N21 ZINC000045301470 EH Annotated Anodyne CC(C)[C@@H]1c2ccc(O)cc2C[C@@H]2C(=O)N(C3CCCCC3)C(=O)N21 ZINC000045301472 EH Annotated Anodyne CC(C)[C@H]1c2ccc(O)cc2C[C@@H]2C(=O)N(C3CCCCC3)C(=O)N12 ZINC000045301474 EH Annotated Anodyne C=CCOc1ccc(-c2c(C)[nH]c(C)c(Br)c2=O)cc1 ZINC000045301981 EH Annotated Mild Nc1ccc(/C=C/C(=O)c2ccc(OCCOCCF)cc2)cc1 ZINC000045302422 EH Annotated Mild CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Cl)c21 ZINC000045302800 EH Annotated Anodyne O=CC1=C(Cl)c2sc3nc4n(c(=O)c3c2CCC1)CCCCC4 ZINC000045302894 EH Annotated Reactive Cc1occc1C(=O)Nc1nc(-c2ccccn2)nc2ccsc12 ZINC000045302996 EH Annotated Anodyne CC1(C)C[C@@]2(CN(C(=O)c3ccccc3)CCO2)c2ccccc2O1 ZINC000045303081 EH Annotated Anodyne CC1(C)C[C@]2(CN(C(=O)c3ccccc3)CCO2)c2ccccc2O1 ZINC000045303082 EH Annotated Anodyne C[C@H](O)[C@@](C)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2 ZINC000045303129 EH Annotated Anodyne C[C@@H](O)[C@@](C)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2 ZINC000045303130 EH Annotated Anodyne C[C@H](O)[C@](C)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2 ZINC000045303131 EH Annotated Anodyne C[C@@H](O)[C@](C)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2 ZINC000045303132 EH Annotated Anodyne CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(Cl)cccc21 ZINC000045303311 EH Annotated Anodyne Cc1sc2nc(S[C@H](C(=O)O)c3ccccc3)nc(N)c2c1C ZINC000045316968 EH Annotated Anodyne Cc1sc2nc(S[C@@H](C(=O)O)c3ccccc3)nc(N)c2c1C ZINC000045316972 EH Annotated Anodyne Nc1nc(SCCc2ccccc2)nc2sc3c(c12)CCOC3 ZINC000045321647 EH Annotated Anodyne CCCCC[C@H](O)c1cn(C[C@@H]2Cc3c(C)ccc(C)c3O2)nn1 ZINC000045323167 EH Annotated Anodyne CCCCC[C@@H](O)c1cn(C[C@@H]2Cc3c(C)ccc(C)c3O2)nn1 ZINC000045323170 EH Annotated Anodyne CCCCC[C@H](O)c1cn(C[C@H]2Cc3c(C)ccc(C)c3O2)nn1 ZINC000045323172 EH Annotated Anodyne CCCCC[C@@H](O)c1cn(C[C@H]2Cc3c(C)ccc(C)c3O2)nn1 ZINC000045323175 EH Annotated Anodyne CN(C(=O)c1cc2c(-c3cncnc3)cccc2[nH]1)c1ccccc1 ZINC000045334680 EH Annotated Anodyne COc1cccc2c(N/N=C/c3ccccc3[N+](=O)[O-])cc(C)nc12 ZINC000045334734 EH Annotated Mild Oc1ccc([C@@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)cc1F ZINC000045336883 EH Annotated Anodyne Oc1ccc([C@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)cc1F ZINC000045336885 EH Annotated Anodyne CC(=O)Oc1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2c(O)cccc12 ZINC000045338678 EH Annotated Bother Cc1ccc(-c2nc(C(=O)N(C)Cc3cccnc3)cs2)cc1F ZINC000045338943 EH Annotated Anodyne Clc1cc(Cl)c(Cl)c(-c2ccc(N3CCOCC3)nn2)c1 ZINC000045339736 EH Annotated Anodyne CC1(C)CC(=O)C2=C(C1)NC(c1cccnc1)=N[C@H]2c1ccc(F)cc1 ZINC000045340351 EH Annotated Mild CC1(C)CC(=O)C2=C(C1)NC(c1cccnc1)=N[C@@H]2c1ccc(F)cc1 ZINC000045340353 EH Annotated Mild Fc1ccc(Sc2ccc3nnc(C4CCNCC4)n3c2)c(F)c1 ZINC000045347434 EH Annotated Anodyne C[C@@H](CCn1ccnc1)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000045347934 EH Annotated Bother C[C@H](CCn1ccnc1)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000045347937 EH Annotated Bother O=C(Nc1ccncc1)C(=O)c1cn(-c2ccccc2)c2ccccc12 ZINC000045348368 EH Annotated Anodyne COc1ccccc1/C(=C\c1coc2nc(N)nc(N)c12)CC(C)C ZINC000045348774 EH Annotated Anodyne OC1CCN(CC2CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000045348826 EH Annotated Anodyne OC1CCN(CC2CCN([C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000045348829 EH Annotated Anodyne OC1CCN(CC2CCN([C@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000045348831 EH Annotated Anodyne COc1ccc([C@H]2Oc3ccc(C)cc3C[C@@H]2OC(C)=O)cc1OC ZINC000045349175 EH Annotated Anodyne O=C(NCCCCCC/N=C/c1ccccc1O)c1ccccc1O ZINC000045349905 EH Annotated Mild O=C1N/C(=C\c2ccc(C(=O)O)o2)C(c2ccco2)=C1c1ccccc1 ZINC000045350156 EH Annotated Anodyne C=C([C@H]1CC[C@H]2C(C)(C)CCC[C@]12C)[C@@H]1[C@@H](CO)O[C@@H]2OC(=O)C[C@@H]21 ZINC000045350237 EH Annotated Mild C=Cc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 ZINC000045351548 EH Annotated Anodyne CC(C)NCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12 ZINC000045351854 EH Annotated Anodyne O=C1Nc2c(Cl)ccc(Cl)c2/C1=N/N=C/c1ccccc1F ZINC000045351990 EH Annotated Mild Cc1ccc(S(=O)(=O)/N=C(/CCCCCl)N2CCCC2)cc1 ZINC000045353734 EH Annotated Reactive COc1ccc([C@@H]2Oc3ccc(C)cc3C[C@H]2OC(C)=O)cc1OC ZINC000045353809 EH Annotated Anodyne Fc1ccc(CN2CCc3nc(N4CCCCC4)sc3C2)cc1F ZINC000045355069 EH Annotated Anodyne OC[C@H]1CCCN1c1nccnc1-c1ccccc1Oc1ccccc1 ZINC000045355073 EH Annotated Anodyne OC[C@@H]1CCCN1c1nccnc1-c1ccccc1Oc1ccccc1 ZINC000045355076 EH Annotated Anodyne CC(C)[C@]1(O)C=C2C(=O)C[C@@]3(C)[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1 ZINC000045355252 EH Annotated Mild Cc1cccc(C)c1-c1ccc(OCC(N)=O)c(-c2nc(C)c(C)[nH]2)c1 ZINC000045356594 EH Annotated Anodyne CC(C)Oc1cc(OC(C)C)c2c(c1)C(=O)C1=C(CO[C@@H](C)C1)C2=O ZINC000045357202 EH Annotated Mild O=C1Cc2cnc3cc(-c4ccccc4)nn3c2-c2ccccc2N1 ZINC000045358020 EH Annotated Anodyne Cc1coc2c1c(=O)oc1c3cccc(OCCN(C)C)c3ccc21 ZINC000045364857 EH Annotated Bother COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1C)OCO2 ZINC000045365664 EH Annotated Anodyne CCc1nccnc1C(=O)CCN(Cc1ccccc1)C(C)(C)C ZINC000045366641 EH Annotated Anodyne O=C1O[C@H](COc2ccccc2)C=C1c1ccc(Br)cc1 ZINC000045366703 EH Annotated Anodyne O=C1O[C@@H](COc2ccccc2)C=C1c1ccc(Br)cc1 ZINC000045366706 EH Annotated Anodyne CC(C)[C@]1(O)C=C2C(=O)C[C@@]3(C)[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000045367132 EH Annotated Mild COc1ccccc1-c1cn(/N=C/c2ccc(Cl)cc2)c(N)n1 ZINC000045368080 EH Annotated Mild O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CO3)cc(O)c12 ZINC000045368997 EH Annotated Bother O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CO3)cc(O)c12 ZINC000045369002 EH Annotated Bother COc1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1 ZINC000045369761 EH Annotated Anodyne O=c1c2cc3ccccc3cc2oc2cc(OC[C@@H]3CO3)cc(O)c12 ZINC000045370278 EH Annotated Bother O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CO3)cc(O)c12 ZINC000045370282 EH Annotated Bother O=c1cc(-c2cc(F)c(Cl)nc2Cl)c2c(O)cc(O)cc2o1 ZINC000045370603 EH Annotated Anodyne COc1cccc(CN2CCc3nc(N4CCCCC4)sc3C2)c1 ZINC000045371297 EH Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@H]1Oc3ccc(Cl)cc3[C@H]1CO2 ZINC000045371927 EH Annotated Mild CN(C)C(=O)c1ccc2c(c1)Oc1ccccc1[C@]2(O)c1ccccc1 ZINC000045374214 EH Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)Oc1ccccc1[C@@]2(O)c1ccccc1 ZINC000045374218 EH Annotated Anodyne O=C1CSC(Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)=N1 ZINC000045386183 EH Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(C/C1=N\O)C2 ZINC000045386508 EH Annotated Mild CCCNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12 ZINC000045387146 EH Annotated Anodyne O=c1c2c(O)cc(OC[C@@H]3CO3)cc2oc2ccc3ccccc3c12 ZINC000045387978 EH Annotated Bother O=c1c2c(O)cc(OC[C@H]3CO3)cc2oc2ccc3ccccc3c12 ZINC000045387982 EH Annotated Bother CC[C@@H](C)/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045388034 EH Annotated Anodyne CC[C@H](C)/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045388038 EH Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C/C1=N\O)C2 ZINC000045389283 EH Annotated Mild Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2C(C)C)cc1 ZINC000045389702 EH Annotated Anodyne CN1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045390039 EH Annotated Anodyne Oc1ccc([C@@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)c(F)c1 ZINC000045390353 EH Annotated Anodyne Oc1ccc([C@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)c(F)c1 ZINC000045390355 EH Annotated Anodyne O=C(O)c1cn(C2(c3ccccc3)CC2)c2c(F)ccc(F)c2c1=O ZINC000045390595 EH Annotated Anodyne O=C(O)c1cn(Cc2ccc(C3CC3)cc2)c2cccc(F)c2c1=O ZINC000045390611 EH Annotated Anodyne O=C1CCCC2=C1[C@@H](c1ccccc1Cl)N=C(c1ccccn1)N2 ZINC000045393274 EH Annotated Mild O=C1CCCC2=C1[C@H](c1ccccc1Cl)N=C(c1ccccn1)N2 ZINC000045393278 EH Annotated Mild COc1cccc(-n2nc(CN(C)C)nc2-c2ccc(C)cc2C)c1 ZINC000045393552 EH Annotated Anodyne O=Cc1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C=O)OCO3 ZINC000045393678 EH Annotated Anodyne Cc1cccc(S(=O)(=O)Oc2cccc(C3CCNCC3)c2C)c1 ZINC000045484415 EH Annotated Anodyne CCC[C@@H](/C=C/C=C/C=C/C#CC#CCCCOC(C)=O)OC(C)=O ZINC000045496268 EH Annotated Mild C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000045497626 EH Annotated Mild Cc1cc(C)c(-n2cc[n+](CC(=O)c3ccc4c(c3)COC4)c2)c(C)c1 ZINC000045498746 EH Annotated Mild Cc1ccc(-c2c(C#N)n(O)c3cc(Cl)c(Cl)cc3[n+]2=O)cc1 ZINC000471072583 EH Annotated Mild CON=C(c1ccon1)c1ccccc1COc1ccc(F)cc1 ZINC000472780325 EH Annotated Mild CON=C(c1ccon1)c1ccccc1COc1cccc(F)c1 ZINC000472780353 EH Annotated Mild CCCNCc1ccc(-c2cc3[nH]cc4c(O)nnc(O)c(c2)c34)cc1 ZINC000473081393 EH Annotated Anodyne C=C(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000473081818 EH Annotated Mild COc1c2c3ccc4cc5c(cc4c3n(C)cc-2ccc1=O)OCO5 ZINC000473083648 EH Annotated Bother Nc1cc(Cl)ccc1OC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000473084162 EH Annotated Mild CCCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000473085717 EH Annotated Clean CC(C)NCc1ccc(-c2cc3[nH]cc4c(O)nnc(O)c(c2)c34)cc1 ZINC000473085990 EH Annotated Anodyne COc1cccc(Cc2nn3cc(-c4cccc(N)c4)nc3s2)c1 ZINC000473086937 EH Annotated Anodyne CCc1ccnc(-c2nccn2Cc2nnc(-c3ccccc3)o2)c1 ZINC000473087514 EH Annotated Anodyne CN1c2ccccc2C(=O)N2CCCc3c(oc4ccc(O)cc34)[C@H]21 ZINC000473087660 EH Annotated Anodyne CN1c2ccccc2C(=O)N2CCCc3c(oc4ccc(O)cc34)[C@@H]21 ZINC000473087663 EH Annotated Anodyne COc1ccc(Cc2nn3cc(-c4cccc(N)c4)nc3s2)cc1 ZINC000473087681 EH Annotated Anodyne COc1c(O)ccc2c1-c1ccc3cc4c(cc3c1N(C)C2)OCO4 ZINC000473088046 EH Annotated Anodyne CC(C)[C@]12CC[C@@]34O[C@@]3(CC[C@@H]3[C@]4(C)CCC[C@@]3(C)C(=O)O)[C@H]1O2 ZINC000473088077 EH Annotated Anodyne O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)Nc2ncccc21 ZINC000473088696 EH Annotated Anodyne O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Nc2ncccc21 ZINC000473088697 EH Annotated Anodyne CC(C)[C@@]12CC[C@@]3(CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)C3=O)[C@@H]1O2 ZINC000473089040 EH Annotated Anodyne O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000473090167 EH Annotated Anodyne CCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2cccc(C)c21 ZINC000473090714 EH Annotated Mild CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cc(F)cc(Cl)c2)no1 ZINC000473090780 EH Annotated Mild O=C1CN(C(=O)c2cc(O)cc(-c3ccccc3)c2)c2ccccc2N1 ZINC000473090824 EH Annotated Anodyne C=C(c1ccc(N(C)C)c(C#N)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000473090849 EH Annotated Mild CC(=O)CCC1(Cc2ccc(Cl)cc2)C2(C)OOC1(C)OO2 ZINC000473091482 EH Annotated Reactive CNC(=O)c1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1 ZINC000473092151 EH Annotated Anodyne NCCOc1cccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)c1 ZINC000473093013 EH Annotated Anodyne CN=c1nc(-c2ccc(C)cc2)c(-c2cc(F)c(O)c(F)c2)c[nH]1 ZINC000473093289 EH Annotated Anodyne CN(C(=O)n1cnc(S[C@@H]2C[C@H]3CC[C@@H]2C3)n1)c1ccccc1 ZINC000473094055 EH Annotated Anodyne Cc1ccc(-c2cnc(C3(NCc4cnn(C)c4)CCCC3)[nH]2)cc1 ZINC000473094729 EH Annotated Anodyne COc1ccc2oc3c(c2c1)CCCN1C(=O)c2ccccc2N(C)[C@H]31 ZINC000473094840 EH Annotated Anodyne COc1ccc2oc3c(c2c1)CCCN1C(=O)c2ccccc2N(C)[C@@H]31 ZINC000473094843 EH Annotated Anodyne O=C1NC(SCc2ccccc2)=N[C@@H](Sc2ccccc2)N1 ZINC000473095116 EH Annotated Anodyne O=C1NC(SCc2ccccc2)=N[C@H](Sc2ccccc2)N1 ZINC000473095117 EH Annotated Anodyne Cc1ccc(-c2cnc(C3(NCc4cncnc4)CCCC3)[nH]2)cc1 ZINC000473096605 EH Annotated Anodyne COc1ccc2c(c1)CCCN2c1nc(=NC2CC2)[nH]c2ccccc12 ZINC000473096822 EH Annotated Anodyne CCC[C@@H](CC/C=C/C=C/C#CC#C/C=C/COC(C)=O)OC(C)=O ZINC000473096850 EH Annotated Mild O=c1[nH]c2ccc(Br)cc2nc1/C=C/c1ccc(O)cc1 ZINC000473104157 EH Annotated Anodyne CCCC(=O)CC/C=C/C=C/C#CC#C/C=C/COC(=O)CCl ZINC000473105900 EH Annotated Reactive CCCCN1C(=O)/C(=C/N[C@H](C)CCC)C(=O)c2cccc(C)c21 ZINC000473107430 EH Annotated Mild CCCCN1C(=O)/C(=C/N[C@@H](C)CCC)C(=O)c2cccc(C)c21 ZINC000473107433 EH Annotated Mild COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1 ZINC000473107735 EH Annotated Anodyne CCCCN1C(=O)/C(=C/Nc2ccccn2)C(=O)c2cccc(C)c21 ZINC000473107999 EH Annotated Mild O=C(O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12 ZINC000473108523 EH Annotated Bother CCCCN1C(=O)/C(=C/NC2CCCC2)C(=O)c2cccc(C)c21 ZINC000473108836 EH Annotated Mild CCCCN1C(=O)/C(=C/N[C@H](C)C(C)C)C(=O)c2cccc(C)c21 ZINC000473108869 EH Annotated Mild CCCCN1C(=O)/C(=C/N[C@@H](C)C(C)C)C(=O)c2cccc(C)c21 ZINC000473108870 EH Annotated Mild CCCCN1C(=O)/C(=C/NC(C)(C)CC)C(=O)c2cccc(C)c21 ZINC000473109165 EH Annotated Mild CCCCN1C(=O)/C(=C/NCC2CCC2)C(=O)c2cccc(C)c21 ZINC000473109168 EH Annotated Mild Cc1cccc2c1N(CC1CC1)C(=O)/C(=C/NC1CCCCC1)C2=O ZINC000473109175 EH Annotated Mild CCCCN1C(=O)/C(=C/NC(CC)CC)C(=O)c2cccc(C)c21 ZINC000473109526 EH Annotated Mild CN(C)/C=C(/C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 ZINC000473109830 EH Annotated Mild C=CCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2cccc(C)c21 ZINC000473110464 EH Annotated Mild N#Cc1ncn(Cc2ccccc2Cl)c1/N=C/c1ccc(O)cc1 ZINC000473111514 EH Annotated Mild O=C(Nc1cc(Cl)c(O)cc1O)C1(c2cccc(O)c2)CCC1 ZINC000473112287 EH Annotated Anodyne Nc1ccc(-c2cnn(-c3ccccc3-c3ccc(N)cc3)n2)cc1 ZINC000473112724 EH Annotated Anodyne CCOC(=O)c1csc2nc(-c3cccc(NC(=O)CC)c3)cn12 ZINC000473112886 EH Annotated Anodyne O=C(O)CCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 ZINC000473113683 EH Annotated Anodyne Clc1ccc(CN(Cc2nn[nH]n2)c2ccccc2)c(Cl)c1 ZINC000473114355 EH Annotated Anodyne N=c1[nH]c(-c2cccc(NCc3ccc[nH]3)c2)cn1Cc1ccccc1 ZINC000473114701 EH Annotated Anodyne CCOC(=O)c1csc2nc(-c3ccc(NC(=O)CC)cc3)cn12 ZINC000473115012 EH Annotated Anodyne Clc1ccc(CN(Cc2nn[nH]n2)c2ccccc2)cc1Cl ZINC000473117278 EH Annotated Anodyne Cc1cn(C)c(-c2cc3c(c4c2CCC4)NC(C)(C)C(=O)C3(C)C)n1 ZINC000473119283 EH Annotated Anodyne Cc1cnn(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C ZINC000473120080 EH Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C=C1CO[C@@H](C(=O)c3ccoc3)[C@@H]12 ZINC000473120613 EH Annotated Mild NC(=O)c1cccc(NCc2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000473122400 EH Annotated Anodyne C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C[C@H](OC)OC1=O ZINC000473122495 EH Annotated Mild C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C[C@@H](OC)OC1=O ZINC000473122496 EH Annotated Mild CCCCn1ccnc1/C=C/C(=O)/C=C/c1nccn1CCCC ZINC000473123172 EH Annotated Mild CCCn1ccnc1/C=C/C(=O)/C=C/c1coc2ccccc2c1=O ZINC000473123273 EH Annotated Mild CC(C)n1ccnc1/C=C/C(=O)/C=C/c1coc2ccccc2c1=O ZINC000473126029 EH Annotated Mild COc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1F ZINC000473126048 EH Annotated Anodyne O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccc(O)cc2)CCC1 ZINC000473126211 EH Annotated Anodyne Cc1cc(-c2cc3c(c4c2CCC4)NC(C)(C)C(=O)C3(C)C)n(C)n1 ZINC000473128431 EH Annotated Anodyne C=C1C(=O)[C@@]23CC[C@H]([C@@]4(C)CO4)[C@@](C)(CCC(=O)O)[C@@H]2CC[C@H]1C3 ZINC000473132380 EH Annotated Mild C=C1C(=O)[C@@]23CC[C@H]([C@]4(C)CO4)[C@@](C)(CCC(=O)O)[C@@H]2CC[C@H]1C3 ZINC000473132381 EH Annotated Mild C#CCN(C)[C@H](C)Cc1ccc(NCc2ccc(OC)cc2O)cc1 ZINC000473133701 EH Annotated Mild C#CCN(C)[C@H](C)Cc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000473135170 EH Annotated Mild COc1cc(C=O)ccc1OCCOc1ccc(-n2cccc2)cc1 ZINC000473135758 EH Annotated Anodyne C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000473135853 EH Annotated Mild C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000473135877 EH Annotated Mild COc1ccc2c(c1)SCc1c[nH]c(=NCc3ccccc3)nc1-2 ZINC000473145360 EH Annotated Anodyne COc1ccc(CN=c2nc3c(c[nH]2)CSc2ccccc2-3)cc1 ZINC000473145804 EH Annotated Anodyne C/C(=N\N=C1\S[C@H](C)C(=O)N1C)c1ccc(Cl)c(Cl)c1 ZINC000473146043 EH Annotated Mild C/C(=N\N=C1\S[C@@H](C)C(=O)N1C)c1ccc(Cl)c(Cl)c1 ZINC000473146047 EH Annotated Mild CCN(CC)Cc1cc2c(cc1O)OCC(c1ccc(O)cc1)=C2 ZINC000473146981 EH Annotated Clean CCN(CC)c1ccc2nc(-c3ccccc3N(C)C)nc(O)c2c1 ZINC000473147450 EH Annotated Anodyne CC1=N[C@H](CC(C)C)C(=O)N(CC(C)C)c2cc(C(=O)O)ccc21 ZINC000473148647 EH Annotated Anodyne Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(C#N)cc3)c2n1 ZINC000473148694 EH Annotated Mild Cc1cc(NCc2ccccn2)n2ncc(-c3ccccc3F)c2n1 ZINC000473149971 EH Annotated Anodyne Cc1cc(NCc2ccccn2)n2ncc(-c3cccc(F)c3)c2n1 ZINC000473150574 EH Annotated Anodyne COc1ccc(-c2nc3ncccn3c2-c2nc3ccccc3[nH]2)cc1 ZINC000473151829 EH Annotated Anodyne Cn1c2c(c(=O)c3ccc(C(F)(F)F)cc31)-c1ccccc1C2=O ZINC000473152732 EH Annotated Anodyne O=C(Nc1ccc(F)cc1)c1c(NO)cc(-c2cccs2)oc1=O ZINC000473153937 EH Annotated Anodyne CC[C@H](C)[C@@H]1N=C(C)c2ccc(C(=O)OC(C)(C)C)cc2NC1=O ZINC000473154066 EH Annotated Anodyne Cc1ccc(NC(=O)c2c(NO)cc(-c3cccs3)oc2=O)cc1 ZINC000473154230 EH Annotated Anodyne C/C1=C\CC[C@]2(C)O[C@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1=O ZINC000473154244 EH Annotated Mild C/C1=C\CC[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1=O ZINC000473154245 EH Annotated Mild CCCCCCN1C(=O)C=C(Br)/C1=C/Br ZINC000473154361 EH Annotated Anodyne CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CC/C(C=O)=C/CC[C@@]1(C)O[C@@H]1C2 ZINC000473154412 EH Annotated Reactive CCCCNCc1cc2c(cc1O)OC=C(c1ccc(O)cc1)C2 ZINC000473154437 EH Annotated Clean FC(F)(F)c1ccc(-n2cc(Cn3cnc4ccccc43)nn2)cc1 ZINC000473154696 EH Annotated Anodyne Cc1ccc(Cc2ccc(-c3nc(C)c(C(=O)O)n3O)cc2C#N)cc1 ZINC000473154759 EH Annotated Mild Fc1ccccc1Oc1nc2nonc2nc1Oc1ccccc1F ZINC000473154894 EH Annotated Anodyne CC[C@@H]1SC(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)NC1=O ZINC000473155201 EH Annotated Mild CC[C@H]1SC(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)NC1=O ZINC000473155202 EH Annotated Mild Cc1ccccc1NC(=O)c1c(NO)cc(-c2cccs2)oc1=O ZINC000473155209 EH Annotated Anodyne COc1ccc(-c2cnn3c(NCc4ccccn4)cc(C)nc23)cc1 ZINC000473156155 EH Annotated Anodyne C/C(=N\N=C1NC(=O)[C@H](C(C)C)S1)c1ccc(Cl)c(Cl)c1 ZINC000473157239 EH Annotated Mild C/C(=N\N=C1NC(=O)[C@@H](C(C)C)S1)c1ccc(Cl)c(Cl)c1 ZINC000473157240 EH Annotated Mild CC1=N[C@@H](CC(C)C)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473158134 EH Annotated Anodyne CC1=N[C@H](CC(C)C)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473158136 EH Annotated Anodyne C/C1=C\C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H]2CC[C@@](C)(O2)[C@@H](O)CC1=O ZINC000473159163 EH Annotated Mild CCN1CCC[C@@H]1CNc1cc(C)nc2c(-c3ccccc3)c(C)nn12 ZINC000473165212 EH Annotated Anodyne CCN1CCC[C@H]1CNc1cc(C)nc2c(-c3ccccc3)c(C)nn12 ZINC000473165213 EH Annotated Anodyne Cc1cc(CO)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000473169914 EH Annotated Anodyne Cc1cc(NC[C@@H]2CCCCN2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473172820 EH Annotated Anodyne Cc1cc(NC[C@H]2CCCCN2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473172821 EH Annotated Anodyne CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@@H](O)CC1 ZINC000473183396 EH Annotated Anodyne COc1ccc2c(ccc3c(CCN(C)O)cc4c(c32)OCO4)c1 ZINC000473243789 EH Annotated Bother N#Cc1c(N)cc2c(c1N)[C@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000473244342 EH Annotated Mild N#Cc1c(N)cc2c(c1N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000473244343 EH Annotated Mild CCNc1cc2c(c(NCC)c1C#N)Cc1cc(O)c(O)cc1O2 ZINC000473245313 EH Annotated Mild Cc1cnc(N2CCC/C(=C\C#Cc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC000473248592 EH Annotated Mild Cc1ccc(CN=c2ccnc(Nc3ccc(C#N)cc3)[nH]2)cc1C ZINC000473248763 EH Annotated Mild CCOC(=O)CNC(=O)/C=C/C=C/c1ccc2c(c1)-c1ccccc1C2 ZINC000473249075 EH Annotated Anodyne N#Cc1ccc(Nc2nccc(=NCc3cccc(Cl)c3)[nH]2)cc1 ZINC000473249318 EH Annotated Mild CN(Cc1ccc(O)c(O)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000473249903 EH Annotated Clean CCOC(=O)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)c2ccccc21 ZINC000474604809 EH Annotated Clean CCOc1nn(-c2ccc(C(C)=O)cn2)c(C)c1Cc1ccccc1 ZINC000474610071 EH Annotated Anodyne CC(C)c1cc(=O)[nH]c(-c2ccccc2CN2CCCCCC2)n1 ZINC000048306499 EH Annotated Anodyne Oc1ccc(/C=N\N=C(\S)Nc2cccc3ccccc23)c(O)c1 ZINC000048307240 EH Annotated Mild Cc1c/c(=N\N=C/c2ccccn2)c2cc(C(F)(F)F)ccc2[nH]1 ZINC000048308719 EH Annotated Mild COc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Cl)c1O ZINC000048877449 EH Annotated Anodyne CCCN[C@H]1CC[C@H](C)[C@]2(Cc3cc(C(=O)O)ccc3O2)C1(C)C ZINC000048999607 EH Annotated Anodyne CC(C)=CC[C@@]12CCN(C)[C@@H]1Nc1c(Br)ccc(O)c12 ZINC000049000266 EH Annotated Anodyne C=C1C(=O)O[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000049019022 EH Annotated Mild Clc1ncn2c1Cn1ncnc1-c1cc(-c3ccccc3)ccc1-2 ZINC000049020974 EH Annotated Anodyne CC1=CCC[C@@H]2[C@@](C)(CC/C(=C\C(=O)O)CO)[C@H](C)C[C@H](O)[C@@]12C ZINC000049032286 EH Annotated Anodyne Cc1cc(-c2n[nH]c(-c3ccnc(SCC(C)C)c3)n2)ccn1 ZINC000049033157 EH Annotated Anodyne C=C1CCC[C@@H]2[C@@](C)(CC/C(=C\C(=O)O)CO)[C@H](C)C[C@H](O)[C@@]12C ZINC000049033405 EH Annotated Mild CCCN[C@@H]1CC[C@H](C)[C@]2(Cc3cc(C(=O)O)ccc3O2)C1(C)C ZINC000049033678 EH Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccc(F)cc2)N1c1ccc(O)c2ncccc12 ZINC000049036746 EH Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(F)cc2)N1c1ccc(O)c2ncccc12 ZINC000049036748 EH Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(F)cc2)N1c1ccc(O)c2ncccc12 ZINC000049036750 EH Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(F)cc2)N1c1ccc(O)c2ncccc12 ZINC000049036752 EH Annotated Reactive O=C(NCC1CCOCC1)c1ccccc1-c1nc(Cl)cs1 ZINC000049045443 EH Annotated Anodyne c1ccc2c(CNc3ccnc(N4CCSCC4)n3)cccc2c1 ZINC000049046153 EH Annotated Anodyne Nc1ncc(-c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)[nH]1 ZINC000049046337 EH Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccccc1 ZINC000049051444 EH Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccccc1 ZINC000049051448 EH Annotated Anodyne COc1ncc(C(=O)c2ccc(-c3ccccc3)cc2)c(O)c1OC ZINC000049051520 EH Annotated Anodyne CN1C(=O)[C@@]2(Nc3ccccc3S2)c2cc(Br)ccc21 ZINC000049052113 EH Annotated Anodyne CN1C(=O)[C@]2(Nc3ccccc3S2)c2cc(Br)ccc21 ZINC000049052117 EH Annotated Anodyne O=[P@@]1(O)OC(c2ccccc2)=C(Br)c2ccccc21 ZINC000049054870 EH Annotated Anodyne CCOc1ccc([C@@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055429 EH Annotated Anodyne CCOc1ccc([C@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055432 EH Annotated Anodyne CCOc1ccc([C@@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055435 EH Annotated Anodyne CCOc1ccc([C@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055438 EH Annotated Anodyne CCOC(=O)c1c(-c2cccc(C)c2)[nH]c2cccc(OC)c2c1=O ZINC000049055794 EH Annotated Anodyne C=CCNc1ccc2nc(SC)n(Cc3ccccc3)c(=O)c2c1 ZINC000049066508 EH Annotated Mild CCN(C(=O)COc1ccc2ccccc2c1)c1ccc(OC)nc1 ZINC000049067103 EH Annotated Anodyne COc1ccc2[nH]c(C)c(/C=C3\Oc4cc(O)cc(O)c4C3=O)c2c1 ZINC000049068506 EH Annotated Mild CC(C)Cc1c2c(nc3sc(C(N)=O)c(N)c13)CCCCCC2 ZINC000049068521 EH Annotated Anodyne COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 ZINC000049069114 EH Annotated Anodyne NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCCC3 ZINC000049069357 EH Annotated Anodyne CC(C)c1csc(-c2nnc3sc(-c4ccc(O)cc4)nn23)n1 ZINC000049069800 EH Annotated Anodyne O=[N+]([O-])c1cc(-c2ccnn2-c2cccc(Cl)c2)cc(O)c1O ZINC000049070438 EH Annotated Clean COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21 ZINC000049070887 EH Annotated Anodyne Cc1ccc([C@@H](C)/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1C ZINC000049072337 EH Annotated Clean Cc1ccc([C@H](C)/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1C ZINC000049072339 EH Annotated Clean CCOC(=O)c1c(-c2ccccc2C)[nH]c2cc(OC)ccc2c1=O ZINC000049072662 EH Annotated Anodyne CCN(C(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)nc1 ZINC000049072813 EH Annotated Anodyne Cc1ccccc1/C(=N/O)c1ccnc(Nc2ccc(C#N)cc2)n1 ZINC000049073063 EH Annotated Mild Cc1cccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc12 ZINC000049088249 EH Annotated Anodyne Cc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 ZINC000049088250 EH Annotated Anodyne O=C(OCc1ccccc1)c1coc(-c2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000049088295 EH Annotated Bother Cc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1 ZINC000049088396 EH Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccccc1)O3 ZINC000049089108 EH Annotated Anodyne OC1([C@H](CN2CCNCC2)c2csc3ccccc23)CCCCC1 ZINC000049089908 EH Annotated Anodyne OC1([C@@H](CN2CCNCC2)c2csc3ccccc23)CCCCC1 ZINC000049089909 EH Annotated Anodyne N#Cc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 ZINC000049109659 EH Annotated Mild COc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1 ZINC000049109917 EH Annotated Anodyne CC(C)C1=CC2=C[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)C2=C(O)C1=O ZINC000049110616 EH Annotated Mild in-man endogenous CCc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1 ZINC000049110664 EH Annotated Anodyne OCCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1 ZINC000049110702 EH Annotated Anodyne CCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CC2)n[nH]1 ZINC000049111685 EH Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12NCCCc1c2[nH]c2ccccc12 ZINC000049111800 EH Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@]12NCCCc1c2[nH]c2ccccc12 ZINC000049111802 EH Annotated Anodyne CCn1ncc2c(Cl)c(C(=O)NCc3cc(C)cc(C)c3)cnc21 ZINC000049112120 EH Annotated Anodyne COc1ccccc1NC(=S)N/N=C/c1ccc2ccccc2n1 ZINC000049112155 EH Annotated Mild Cc1ccc(-c2cc(-c3cc(O)c(O)c([N+](=O)[O-])c3)on2)c(Cl)n1 ZINC000049112173 EH Annotated Clean CC(C)c1csc(-c2nnc(S)n2/N=C/c2ccccc2)n1 ZINC000049112297 EH Annotated Mild O=C(OCc1ccccc1)c1coc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000049112313 EH Annotated Bother CCc1ccc(S(=O)(=O)n2cc(C(C)=O)c3ccc(C)cc32)cc1 ZINC000049112384 EH Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccc(C)cc1 ZINC000049113192 EH Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccc(C)cc1 ZINC000049113193 EH Annotated Anodyne OC1([C@H](CN2CCNCC2)c2cc3ccccc3s2)CCCCC1 ZINC000049113523 EH Annotated Anodyne OC1([C@@H](CN2CCNCC2)c2cc3ccccc3s2)CCCCC1 ZINC000049113525 EH Annotated Anodyne COc1ccc(CCc2c(C#N)c(-c3ccccc3)nn2C)c(OC)c1 ZINC000049114054 EH Annotated Mild O=C(OCc1ccccc1)c1coc(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000049114208 EH Annotated Bother CCCCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049114239 EH Annotated Clean COc1cc(-n2ncnc2-c2cccc(Cl)c2)cc(OC)c1OC ZINC000049114679 EH Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@]12CCCCCC2=O ZINC000049116410 EH Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@]12CCCCCC2=O ZINC000049116414 EH Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@@]12CCCCCC2=O ZINC000049116417 EH Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@@]12CCCCCC2=O ZINC000049116421 EH Annotated Anodyne CCN(CC)[C@@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 ZINC000049126190 EH Annotated Anodyne CCN(CC)[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 ZINC000049126194 EH Annotated Anodyne OC1CCN(C2=Nc3ccccc3CC=C2c2ccc(F)cc2)CC1 ZINC000049605572 EH Annotated Anodyne Cc1ccc(N2CCN(c3cc(=O)oc4ccc(C)cc34)CC2)cc1 ZINC000049615288 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@@H](c2ccncc2)N1c1ccc(Cl)c(Cl)c1 ZINC000049669359 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@H](c2ccncc2)N1c1ccc(Cl)c(Cl)c1 ZINC000049669360 EH Annotated Anodyne CN(C)c1ccc(CNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)cc1 ZINC000049710233 EH Annotated Reactive CN(C)c1ccc(CNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)cc1 ZINC000049710236 EH Annotated Reactive CCCCCCCCN1CC(=O)N2CCc3ccc(F)cc3[C@H]2C1 ZINC000049746262 EH Annotated Mild CCCCCCCCN1CC(=O)N2CCc3ccc(F)cc3[C@@H]2C1 ZINC000049746264 EH Annotated Mild CCCCCCCCN1CCN2CCc3cc(O)c(O)cc3[C@@H]2C1 ZINC000049757414 EH Annotated Mild CN(C)/C=C/c1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O ZINC000049769770 EH Annotated Clean Cc1cc2cc(OS(=O)(=O)C(F)(F)F)cc3oc(C)cc(n1)c23 ZINC000049771454 EH Annotated Unstable CC(C)NC(=O)c1ccc2c(c1)N=C(c1ccccc1)N(C1CC1)C2 ZINC000049771820 EH Annotated Anodyne COc1cc(-n2ncnc2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000049781449 EH Annotated Anodyne COc1ccc([C@H]2O[C@H]2C(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000049783670 EH Annotated Anodyne COc1ccc([C@@H]2O[C@H]2C(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000049783671 EH Annotated Anodyne COc1ccc([C@H]2O[C@@H]2C(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000049783672 EH Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2C(=O)c2ccc3c(c2)CCCC3)cc1OC ZINC000049783673 EH Annotated Anodyne O=C(O)CC1CCC2(CC1)OOC1(O2)[C@H]2CC3C[C@@H]1CC(F)(C3)C2 ZINC000049783692 EH Annotated Reactive CC[C@H](C[C@H](C)C[C@@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1)C(=O)O ZINC000049783794 EH Annotated Reactive CCCCCCCCCC[C@@H](C#CC(=O)OC)O/C=C/C(=O)OC ZINC000049783796 EH Annotated Mild CCCCCCCCCC[C@H](C#CC(=O)OC)O/C=C/C(=O)OC ZINC000049783797 EH Annotated Mild COc1ccc(NC(=S)N/N=C/c2ccc3ccccc3n2)cc1 ZINC000049783903 EH Annotated Mild O=C(O)CCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049784042 EH Annotated Reactive O=C(OCc1ccccc1)c1coc(-c2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000049784615 EH Annotated Bother CCn1nc(-c2ccccc2)c(C#N)c1CCc1ccccc1C(=O)O ZINC000049784989 EH Annotated Mild NC(=O)c1c(F)ccc(OCc2nc(-c3ccccc3)cs2)c1F ZINC000049784999 EH Annotated Anodyne O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 ZINC000049792550 EH Annotated Anodyne COc1ccc(OC[C@@]23CC[C@@H](O2)C(C)(C)[C@@H]3/C=C/C(C)=O)cc1 ZINC000049792854 EH Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)C(C=O)=C1C(C)(C)CCC[C@]21C ZINC000049793564 EH Annotated Reactive COC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049793871 EH Annotated Reactive CC(C)Cc1ccc(C2=NN(CN3CCCCC3)C(=O)CC2)cc1 ZINC000049802629 EH Annotated Anodyne CCNCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000049803106 EH Annotated Reactive NCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000049803684 EH Annotated Reactive COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C)cc3)C[C@H]1C=N2 ZINC000049807362 EH Annotated Anodyne C/C=C(C)/C=C/CCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1 ZINC000049807397 EH Annotated Reactive COc1ccc(C2=NN(Cn3ccc4ccccc43)C(=O)CC2)cc1 ZINC000049807477 EH Annotated Anodyne O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1CN1CCCC1 ZINC000049807727 EH Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(C)c3)C[C@H]1C=N2 ZINC000049808389 EH Annotated Anodyne FC1(F)CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832273 EH Annotated Anodyne FC1(F)CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832276 EH Annotated Anodyne FC1(F)CCN[C@@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832278 EH Annotated Anodyne FC1(F)CCN[C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832280 EH Annotated Anodyne CCCCCCCNC1=NC(C)(C)NC(NCc2ccc(C)cc2)=N1 ZINC000049867570 EH Annotated Mild CCCCCCCCCCCCOC(=O)CC1CC(=O)NC(=O)C1 ZINC000049878698 EH Annotated Mild CN(C)CC[C@@H]1C(=O)c2cccc3c(N)c4ccccc4c(c23)C1=O ZINC000049932136 EH Annotated Bother CN(C)CC[C@H]1C(=O)c2cccc3c(N)c4ccccc4c(c23)C1=O ZINC000049932137 EH Annotated Bother CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F ZINC000000530959 EH Annotated Anodyne CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F ZINC000000530960 EH Annotated Anodyne CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F ZINC000000530961 EH Annotated Anodyne CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F ZINC000000530962 EH Annotated Anodyne COC(=O)[C@@H](NC(=O)N(C1CCCCC1)C1CCCCC1)C(C)C ZINC000000538206 EH Annotated Anodyne N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc2c(c1)OCO2 ZINC000000584801 EH Annotated Reactive N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000584803 EH Annotated Reactive COc1cc(OC)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1Br ZINC000000757840 EH Annotated Anodyne COc1cc(OC)c(CN2C[C@H](C)C[C@@H](C)C2)cc1Br ZINC000000757841 EH Annotated Anodyne COc1cc(OC)c(CN2C[C@@H](C)C[C@H](C)C2)cc1Br ZINC000000757842 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000767863 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000767865 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000767985 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000767987 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000000769064 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000000769066 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000000769229 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000000769231 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000000772537 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000000772539 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000000772700 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000000772702 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000772942 EH Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772944 EH Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NC(C)C)cc1 ZINC000000774377 EH Annotated Anodyne CC(C)(C)c1noc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000775475 EH Annotated Anodyne CC(C)(C)c1noc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000775476 EH Annotated Anodyne CC(C)(C)c1noc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000775477 EH Annotated Anodyne CC(C)(C)c1noc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000775478 EH Annotated Anodyne CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000775561 EH Annotated Anodyne CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000775562 EH Annotated Anodyne CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000775563 EH Annotated Anodyne CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000775564 EH Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2C)cc1 ZINC000000775884 EH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC(C)C)c(OC)c1 ZINC000000777238 EH Annotated Anodyne CN1Cc2c3c(cc(O)c2-c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000000895672 EH Annotated Anodyne in-vitro COc1cc(-c2[o+]c3cc(O)cc(OC)c3cc2O)cc(OC)c1O ZINC000000897615 EH Annotated Anodyne in-vitro COc1cc(O)c2cc(O)c(-c3cc(OC)c(O)c(OC)c3)[o+]c2c1 ZINC000000897627 EH Annotated Anodyne in-vitro C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4([C@@H]4OCCN4C5)[C@@H]3C2)[C@@H]1O ZINC000000897646 EH Annotated Mild C=C1[C@H](O)[C@@]23CC[C@@H]4[C@]5(C)CCC[C@@]4(CN4CCO[C@H]45)[C@@H]2CC[C@@H]1C3 ZINC000000897675 EH Annotated Mild in-vitro CC(C)=CCc1c2c(cc3c(=O)cc(CO)oc13)C=CC(C)(C)O2 ZINC000000897965 EH Annotated Anodyne in-vitro CCO[P@@](=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C ZINC000000900687 EH Annotated Reactive in-man CCO[P@](=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C ZINC000000900688 EH Annotated Reactive in-man COc1ccc(-n2cc([N+](=O)[O-])c(=O)c3ccc(Cl)cc32)cc1 ZINC000000978696 EH Annotated Bother O=C(c1nc2ccccc2s1)c1conc1C(=O)c1cccs1 ZINC000000987971 EH Annotated Anodyne CCCC/N=C(\O)c1cccc2c1C(=O)N(c1ccc(OC)cc1)C2 ZINC000005006043 EH Annotated Mild Cc1cccc2c1-c1sc(C(=O)NC[C@@H]3CCCO3)cc1CO2 ZINC000005048312 EH Annotated Anodyne Cc1cccc2c1-c1sc(C(=O)NC[C@H]3CCCO3)cc1CO2 ZINC000005048328 EH Annotated Anodyne CC1=C(C(=O)NCc2cccc(Cl)c2)C2(CCC(C)CC2)OC1=O ZINC000005058711 EH Annotated Anodyne CCOc1ccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)cc1 ZINC000005058735 EH Annotated Anodyne CC1=C(C(=O)N[C@@H](C)c2ccccc2)C2(CCC(C)CC2)OC1=O ZINC000005058746 EH Annotated Anodyne CC1=C(C(=O)N[C@H](C)c2ccccc2)C2(CCC(C)CC2)OC1=O ZINC000005058747 EH Annotated Anodyne CC1=C(C(=O)NCCC2=CCCCC2)C2(CCC(C)CC2)OC1=O ZINC000005058776 EH Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000005069479 EH Annotated Reactive C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000005069482 EH Annotated Reactive C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000005069488 EH Annotated Reactive CN(C)C(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC(C)(C)O2 ZINC000005069534 EH Annotated Anodyne CC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(Cl)cc1 ZINC000005070994 EH Annotated Reactive COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000005084462 EH Annotated Anodyne COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)cc1Cl ZINC000005084475 EH Annotated Anodyne CCc1cccc(NC(=O)Cn2c(C(=O)OC)cc3oc(C)cc32)c1 ZINC000005084567 EH Annotated Anodyne COC(=O)c1cc2sccc2n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000005084697 EH Annotated Anodyne CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000005101045 EH Annotated Mild CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000005101046 EH Annotated Mild CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000005101052 EH Annotated Mild CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000005101053 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1CCC2=C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000005132554 EH Annotated Anodyne CCc1ccc(NC(=O)Cn2c(C(=O)OC)cc3oc(C)cc32)cc1 ZINC000005135271 EH Annotated Anodyne CCN(CC)CCCN(C)c1ncc(C)c2c1c1cnccc1n2C ZINC000005139269 EH Annotated Anodyne CCN(CC)CCCNc1ncc(C)c2c1c1cc(O)ccc1n2C ZINC000005139276 EH Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)Cn2cccc2C(=O)c2ccccc2)[C@@H]1C ZINC000005142311 EH Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)Cn2cccc2C(=O)c2ccccc2)[C@@H]1C ZINC000005142327 EH Annotated Anodyne O=C(Cn1cccc1C(=O)c1ccccc1)NCCC1=CCCCC1 ZINC000005142351 EH Annotated Anodyne COc1cccc(-c2c3cc(N)ccc3c3ccc(N)cc3[n+]2C)c1 ZINC000005159489 EH Annotated Bother COc1ccc2c(c1OC)OC[C@H]1CNc3cc(C)c(C)cc3N[C@@H]21 ZINC000005160397 EH Annotated Anodyne Cc1cc2nc3ccc(N(C)C)cc3[n+](-c3ccccc3)c2cc1N ZINC000005160428 EH Annotated Bother COc1ccc2c(c1)c1c(NC[C@@H](C)CN(C)C)ncc(C)c1n2C ZINC000005161443 EH Annotated Anodyne COc1ccc2c(c1)c1c(NC[C@H](C)CN(C)C)ncc(C)c1n2C ZINC000005161444 EH Annotated Anodyne C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1ccccn1 ZINC000005164315 EH Annotated Reactive C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1cccnc1 ZINC000005164317 EH Annotated Reactive O=C(c1cccc(F)c1)c1coc2ccc(Br)cc2c1=O ZINC000005175501 EH Annotated Anodyne C[C@H](NC(=O)c1ccccc1)c1cc2c(cc1Cl)OCCCO2 ZINC000005175785 EH Annotated Anodyne C[C@@H](NC(=O)c1ccccc1)c1cc2c(cc1Cl)OCCCO2 ZINC000005175786 EH Annotated Anodyne Cc1c(C(=O)O)sc2nc(/C=C/c3cccc(F)c3)nc(O)c12 ZINC000005266222 EH Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 ZINC000005369992 EH Annotated Anodyne CCc1cccc2c(C(=O)CSc3nncn3C(C)C)c[nH]c12 ZINC000005417114 EH Annotated Anodyne CC(C)[C@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 ZINC000005442676 EH Annotated Anodyne in-vitro CC(C)[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 ZINC000005442680 EH Annotated Anodyne in-vitro C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@]2(O)CC[C@@]1(C)O ZINC000005480235 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC[C@@]1(C)O ZINC000005480236 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)CC[C@@H](C(C)C)[C@]2(O)CC[C@@]1(C)O ZINC000005480237 EH Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)CC[C@@H](C(C)C)[C@@]2(O)CC[C@@]1(C)O ZINC000005480238 EH Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3C(=O)[C@@H](C)[C@H]2C)OCO4)ccc1O ZINC000005495999 EH Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3C(=O)[C@H](C)[C@H]2C)OCO4)ccc1O ZINC000005496002 EH Annotated Anodyne CC(=O)N1[C@H](Nc2cnc3ccccc3c2)CCN1c1ccccc1 ZINC000005498708 EH Annotated Anodyne N#Cc1c(-c2ccccc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000514290500 EH Annotated Mild CC1=C[C@H]2C[C@@H]3[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@@H](C)CC[C@]13C(=O)O2 ZINC000523041458 EH Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000523041866 EH Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](OC(=O)[C@@H](C)CC)C(=C)[C@H]21 ZINC000523042024 EH Annotated Mild C/C(=C/CO)CC/C=C(\C)[C@H]1CC=C(C/C=C/C(C)(C)O)C(=O)O1 ZINC000523042032 EH Annotated Anodyne C=C(C)[C@@H](O)CCC1=CC[C@@H](/C(C)=C/CC/C(C)=C\CO)OC1=O ZINC000523042097 EH Annotated Mild C=C(C)[C@@H](O)CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O ZINC000523042098 EH Annotated Mild C=C(C)[C@H](O)CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O ZINC000523042099 EH Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@H]3OC(=O)[C@@H](C)CC)C[C@H]12 ZINC000523042125 EH Annotated Mild CN(C)CCN(C)C1=Nc2ccccc2/C(=C/C#N)c2ccccc21 ZINC000053098521 EH Annotated Reactive C[C@H](Nc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O ZINC000053113493 EH Annotated Anodyne C[C@@H](Nc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O ZINC000053113500 EH Annotated Anodyne OC1CCN(C2=Nc3ccccc3Cn3c2cc2ccccc23)CC1 ZINC000053147273 EH Annotated Anodyne CN(C)CCCN=c1c2ccccc2n(C)c2c1oc1ccccc12 ZINC000053175219 EH Annotated Anodyne C=C1C[C@@]2(C(=O)Nc3ccc(C)cc3Br)C=CC(=O)[C@@H]1C2 ZINC000053229658 EH Annotated Mild CCCCN(C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21 ZINC000053230470 EH Annotated Anodyne CCCCCN(C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21 ZINC000053230485 EH Annotated Anodyne Nc1ncnc2c1N=C1c3ccccc3CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000053242835 EH Annotated Anodyne Nc1ncnc2c1N=C1c3ccccc3CC[C@H]1[C@H](c1ccccc1)N2 ZINC000053242837 EH Annotated Anodyne Nc1ncnc2c1N=C1c3ccccc3CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000053242839 EH Annotated Anodyne Nc1ncnc2c1N=C1c3ccccc3CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000053242841 EH Annotated Anodyne Clc1ccccc1COc1ccc2c(c1)-c1nncn1CCO2 ZINC000053243212 EH Annotated Anodyne C=Cc1cccc2c1N(C)Cc1cc(OC(C)=O)c(OC(C)=O)cc1-2 ZINC000053243240 EH Annotated Anodyne S=c1n(-c2ccccc2)nnn1-c1ccccc1Br ZINC000053243357 EH Annotated Anodyne COc1ccc(-c2cnc(Nc3cccc4c3C[C@H](O)CC4)o2)cc1 ZINC000053243550 EH Annotated Anodyne COc1ccc(-c2cnc(Nc3cccc4c3C[C@@H](O)CC4)o2)cc1 ZINC000053243552 EH Annotated Anodyne O=C(Nc1c(F)cccc1F)c1cc(C(=O)c2ccccc2F)c[nH]1 ZINC000053244023 EH Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC1 ZINC000053244136 EH Annotated Anodyne CCCN(CCC)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21 ZINC000053244160 EH Annotated Anodyne COC[C@@H]1CC[C@]2(C)C(C)=CC(=O)C[C@H]2[C@]1(C)CCC1=CCOC1=O ZINC000053294662 EH Annotated Mild Clc1cc(N2CCNC[C@H]2Cc2ccccc2)cc2cc[nH]c12 ZINC000053295140 EH Annotated Anodyne Clc1cc(N2CCNC[C@@H]2Cc2ccccc2)cc2cc[nH]c12 ZINC000053295143 EH Annotated Anodyne CCN(CC)CCCCNCc1cc2c3ccccc3n(C)c2cn1 ZINC000053296017 EH Annotated Anodyne C=C1C[C@@]2(C(=O)N(C)c3ccc(Br)cc3)C=CC(=O)[C@@H]1C2 ZINC000053296423 EH Annotated Mild Cc1c(O)ccc2cc(-n3cc(/C=C/c4ccccc4)nn3)c(=O)oc12 ZINC000053297272 EH Annotated Anodyne Cc1ccc(Oc2ncccc2CNCc2nc3ccccc3[nH]2)cn1 ZINC000053537590 EH Annotated Anodyne O=C1CCCC/C=C\CCOC(=O)c2c(O)cc(O)c(Cl)c2C1 ZINC000053683102 EH Annotated Anodyne in-vitro CN(C)c1ccc(C2=C(O)c3cc(-[n+]4ccccc4)ccc3C2=O)cc1 ZINC000005502595 EH Annotated Mild CC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C ZINC000005529640 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1c(C)cccc1C2=O ZINC000005537995 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1c(C)cccc1C2=O ZINC000005537996 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1c(C)cccc1C2=O ZINC000005537997 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1c(C)cccc1C2=O ZINC000005538001 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1ccc(C)cc1C2=O ZINC000005539589 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1ccc(C)cc1C2=O ZINC000005539596 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1ccc(C)cc1C2=O ZINC000005539598 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1ccc(C)cc1C2=O ZINC000005539603 EH Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1c(ccc(C)c1C)C2=O ZINC000005539684 EH Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1c(ccc(C)c1C)C2=O ZINC000005539685 EH Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1c(ccc(C)c1C)C2=O ZINC000005539691 EH Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1c(ccc(C)c1C)C2=O ZINC000005539696 EH Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1c(C)cc(C)cc1C2=O ZINC000005539697 EH Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1c(C)cc(C)cc1C2=O ZINC000005539699 EH Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1c(C)cc(C)cc1C2=O ZINC000005539703 EH Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1c(C)cc(C)cc1C2=O ZINC000005539704 EH Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539725 EH Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539729 EH Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539738 EH Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O ZINC000005539739 EH Annotated Anodyne COC(=O)c1cc(C)ccc1[C@@H]1CN=N[C@]12Cc1ccc(C)cc1C2=O ZINC000005539798 EH Annotated Anodyne COC(=O)c1cc(C)ccc1[C@@H]1CN=N[C@@]12Cc1ccc(C)cc1C2=O ZINC000005539803 EH Annotated Anodyne COC(=O)c1cc(C)ccc1[C@H]1CN=N[C@]12Cc1ccc(C)cc1C2=O ZINC000005539804 EH Annotated Anodyne COC(=O)c1cc(C)ccc1[C@H]1CN=N[C@@]12Cc1ccc(C)cc1C2=O ZINC000005539813 EH Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539814 EH Annotated Anodyne COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539820 EH Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539823 EH Annotated Anodyne COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O ZINC000005539825 EH Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]1O[C@H]2[C@H](C)CC/C=C(/C)[C@@H]2CC[C@@]1(C)O2 ZINC000005540174 EH Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]1O[C@H]2[C@H](C)CCC[C@@H](C)[C@@H]2CC[C@@]1(C)O2 ZINC000005540175 EH Annotated Mild COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1cccc(C)c1C2=O ZINC000005542392 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1cccc(C)c1C2=O ZINC000005542393 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1cccc(C)c1C2=O ZINC000005542396 EH Annotated Anodyne COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1cccc(C)c1C2=O ZINC000005542397 EH Annotated Anodyne Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(=N)n(N)cnc32)cc1 ZINC000005553455 EH Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000005573704 EH Annotated Anodyne C[C@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000005573706 EH Annotated Anodyne N#C/C(=N\Nc1cc(Cl)cc(Cl)c1)c1nnc2n1CCCCC2 ZINC000005574526 EH Annotated Mild C=C1C(=O)O[C@H]2C[C@@H]1C(=O)C[C@H](C)CCC/C(C)=C/CC[C@@]2(C)O ZINC000005574667 EH Annotated Mild C=C1C(=O)O[C@H]2C[C@@H]1C(=O)C[C@@H](C)CCC/C(C)=C/CC[C@@]2(C)O ZINC000005574669 EH Annotated Mild N#CC1=C2Sc3ccccc3N2[C@H](c2ccccc2)[C@H]2COC(=O)[C@@H]12 ZINC000005581809 EH Annotated Reactive O=C(c1ccccc1)N1OCC[C@@H]1Nc1ccc(Br)cc1 ZINC000005582002 EH Annotated Anodyne Nc1cc2c3c(c1)Oc1cc(N)cc4c1C3c1c(cc(N)cc1O4)O2 ZINC000005582236 EH Annotated Anodyne COc1ccc2nc3ccc(OC)cc3c([S@](=O)CCCl)c2c1 ZINC000005582576 EH Annotated Reactive C[C@@H]1CC(N2CCOCC2)=Nc2ccccc2N1Cc1ccccc1 ZINC000005582937 EH Annotated Anodyne O=[S@@](Cc1ccccn1)c1nc2ccccc2nc1-c1ccccc1 ZINC000005593691 EH Annotated Anodyne O=[S@](Cc1ccccn1)c1nc2ccccc2nc1-c1ccccc1 ZINC000005593693 EH Annotated Anodyne N#Cc1ccc(N/C(=N\CC(=O)O)Nc2cccc3ccccc23)cc1 ZINC000005594315 EH Annotated Mild Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(Br)cc1 ZINC000005646866 EH Annotated Mild CC(=O)OCC[C@H]1c2ccccc2-n2nc(-c3ccccc3)c(O)c21 ZINC000005664032 EH Annotated Anodyne Cc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)n[nH]1 ZINC000005687180 EH Annotated Clean CC(C)(C)OC1=C(OC(C)(C)C)[C@](O)(c2ccc(Cl)cc2)C1=O ZINC000005714508 EH Annotated Mild Cc1cccc2c1Oc1cc(Cl)ccc1[C@@H]2NC(=O)CN(C)C ZINC000005722584 EH Annotated Anodyne Cc1cccc2c1Sc1ccccc1[C@H]2NC(=O)CCN(C)C ZINC000005722586 EH Annotated Anodyne C[C@@H]1CCC[C@@H](C(=O)/C(=C/c2cccc(Cl)c2)C(=O)C(=O)O)C1 ZINC000005722650 EH Annotated Mild Cc1c(NC(=O)c2nc[nH]n2)cccc1-c1nc2ccccc2s1 ZINC000005730207 EH Annotated Anodyne aggregator Cc1cc(O)c(C2=NCCS[C@H](c3ccc(Cl)cc3)C2)c(=O)o1 ZINC000005730253 EH Annotated Anodyne Cc1cc(O)c(C2=NCCS[C@@H](c3ccc(Cl)cc3)C2)c(=O)o1 ZINC000005730259 EH Annotated Anodyne CC(C)=C1[C@H]2C=C[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1cc(C)ccc1C ZINC000005730452 EH Annotated Anodyne O=C(N/N=C/C(Br)=C\c1ccccc1)c1ccc(F)cc1 ZINC000005731348 EH Annotated Reactive COC(=O)Cc1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 ZINC000005734512 EH Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccccc2C)C1=S ZINC000005736831 EH Annotated Anodyne CC1(C)Oc2ccc3c(=O)cc(-c4cccs4)oc3c2[C@@H]1C(=O)O ZINC000005742412 EH Annotated Anodyne CC(CO)(CO)NCc1ccc2c(ccc3cc4ccccc4cc32)c1 ZINC000005761712 EH Annotated Bother CC(CO)(CO)NCc1ccc2c3ccccc3c3ccccc3c2c1 ZINC000005761716 EH Annotated Bother CC(CO)(CO)NCc1ccc2ccc3c4ccccc4ccc3c2c1 ZINC000005761718 EH Annotated Bother CCCCCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)C=CC(=O)C(C)=C2[C@@H]1O ZINC000005782626 EH Annotated Mild COc1ccc(OC)c(-c2csc(CCn3nc(C)cc3C)n2)c1 ZINC000005783156 EH Annotated Anodyne CCN1CC[C@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 ZINC000005807726 EH Annotated Anodyne CCN1CC[C@@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 ZINC000005807730 EH Annotated Anodyne C=CC[C@H](OCCOCC)c1cc(OCCOCC)ccc1OC ZINC000005808765 EH Annotated Mild CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@H]2c3ccccc3O[C@@H]12 ZINC000005810599 EH Annotated Anodyne CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)N/N=C(/C)c3ccco3)c2C1 ZINC000005817733 EH Annotated Reactive CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)N/N=C(/C)c3ccco3)c2C1 ZINC000005817776 EH Annotated Reactive Cc1ccc(NC(=O)c2[nH]cnc2/C(O)=N/c2ccccc2C)cc1 ZINC000005818290 EH Annotated Mild CCOC(=S)SC/C(=N\OC(C)(C)OC)c1ccccc1 ZINC000005822292 EH Annotated Mild C[C@@H]([C@H](O)Cc1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000005822951 EH Annotated Clean C[C@H]([C@H](O)Cc1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000005822952 EH Annotated Clean C[C@@H]([C@@H](O)Cc1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000005822953 EH Annotated Clean C[C@H]([C@@H](O)Cc1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000005822954 EH Annotated Clean C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(CC/C=C(/C)CC[C@H]12)C(=O)O3 ZINC000005831596 EH Annotated Mild C/C1=C/CC[C@@]2(C)O[C@@H]2C[C@@H]2[C@H](C/C(C)=C/CC1)OC(=O)[C@]21CO1 ZINC000005831667 EH Annotated Anodyne CC(C)(C)Oc1ccccc1CNC(=O)c1ccc2cnccc2n1 ZINC000005833970 EH Annotated Anodyne C=Cc1cncc2ccc(C(=O)NCc3ccccc3OC(C)C)nc12 ZINC000005835442 EH Annotated Anodyne CC1(C)CC2(CC(C)(C)c3cc(N)c(O)cc32)c2cc(O)c(N)cc21 ZINC000005835808 EH Annotated Anodyne CC1(C)C[C@@]2(CC(C)(C)c3ccc(O)c(N)c32)c2cc(O)c(N)cc21 ZINC000005835850 EH Annotated Anodyne CC1(C)C[C@]2(CC(C)(C)c3ccc(O)c(N)c32)c2cc(O)c(N)cc21 ZINC000005835876 EH Annotated Anodyne C=CC[C@@H](OCCOCC)c1cc(OCCOCC)ccc1OC ZINC000005838212 EH Annotated Mild COc1ccc([C@H]2Oc3c(cc(O)c(OC)c3C)[C@@H]2C)cc1OC ZINC000005838274 EH Annotated Anodyne COC(=O)[C@@H]1[C@H](O)CCC2=C(CC(=O)c3ccoc3)[C@H](C)CC[C@]21C ZINC000005839435 EH Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(O)cc3)nc21 ZINC000005841880 EH Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cccc(O)c3)nc21 ZINC000005841929 EH Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccccc3)nc21 ZINC000005841942 EH Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cccs3)nc21 ZINC000005841967 EH Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccsc3)nc21 ZINC000005841993 EH Annotated Anodyne O=C(O)CC/C(=N\Nc1nsc2ccccc12)c1ccccc1 ZINC000005844062 EH Annotated Mild COc1ccc(C2=NN(c3nsc4ccccc34)C(=O)CC2)cc1 ZINC000005844080 EH Annotated Anodyne CCOC(=O)c1cc(N)nc(SCc2ccc3ccccc3c2)n1 ZINC000005844716 EH Annotated Anodyne CC[C@@H](C)Oc1ccccc1CNC(=O)c1ccc2cnccc2n1 ZINC000005845864 EH Annotated Anodyne CC[C@H](C)Oc1ccccc1CNC(=O)c1ccc2cnccc2n1 ZINC000005846567 EH Annotated Anodyne C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)CCC/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000005847913 EH Annotated Mild COc1cc(/C=N/N2[C@@H](C)CCC[C@@H]2C)cc(Br)c1O ZINC000005850839 EH Annotated Mild COc1cc(/C=N/N2[C@H](C)CCC[C@H]2C)cc(Br)c1O ZINC000005850857 EH Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]1O[C@H]2[C@H](C)CC/C=C(\C)CCC[C@@]1(C)O ZINC000005851620 EH Annotated Mild C=C(C)OC(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1CSC ZINC000005853630 EH Annotated Mild COc1ccc2nc3ccc(OC)cc3c([S@@](=O)CCCl)c2c1 ZINC000005854531 EH Annotated Reactive Cc1nc(SCC(=O)NCCc2ccc(Cl)cc2)nc(C)c1C ZINC000005864665 EH Annotated Anodyne CC(=O)n1cc([C@H]2C[C@]23N=C(c2ccccc2)OC3=O)c2ccccc21 ZINC000005884684 EH Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)CCOC)c1Cc1cc(C)cc(C)c1 ZINC000005886192 EH Annotated Anodyne CCC(=O)Nc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O ZINC000005886227 EH Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cccc(Br)c1 ZINC000005886358 EH Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cccc(C(F)(F)F)c1 ZINC000005886368 EH Annotated Anodyne CCOCCN(C)c1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O ZINC000005886436 EH Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1ccccc1Br ZINC000005886527 EH Annotated Anodyne CCc1cc(N(C)Cc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C ZINC000005887124 EH Annotated Anodyne CCc1cc(NCc2nc3c(F)ccc(Cl)c3o2)c(=O)[nH]c1C ZINC000005887337 EH Annotated Anodyne CC1=C(O)C(=O)C2=C(C1=O)[C@@H]([C@@H](C)C/C=C/C(C)(C)O)CC[C@@H]2C ZINC000005890667 EH Annotated Mild Cc1[nH]c(=O)c(NCc2nc3c(Cl)ccc(Cl)c3o2)c2c1C2 ZINC000005891657 EH Annotated Anodyne Cc1ccc(/N=C2\N=C(N3C[C@H](C)O[C@@H](C)C3)c3ccccc32)cc1 ZINC000005892345 EH Annotated Mild COc1ccc2c(c1)/C(=C\c1c(C)nc3sc(C)cn13)C(=O)N2C ZINC000005892900 EH Annotated Clean Clc1ncnc2c1C(c1ccccc1)c1c(Cl)ncnc1O2 ZINC000005899979 EH Annotated Anodyne C=CC(C)(C)C(=C)C(=O)Nc1ccccc1I ZINC000005922441 EH Annotated Mild C[C@H](Cn1c2c(c3cc(O)ccc31)CCc1ccc(O)cc1-2)N(C)C ZINC000005929895 EH Annotated Anodyne O=C1Nc2ccc(F)cc2[C@](C#Cc2cccnc2)(C(F)(F)F)O1 ZINC000005933488 EH Annotated Mild O=C1Nc2ccc(F)cc2[C@@](C#Cc2cccnc2)(C(F)(F)F)O1 ZINC000005933495 EH Annotated Mild O=C(O)CSc1ccc2c(c1)c(=O)c1ccccc1n2C1CC1 ZINC000005939809 EH Annotated Bother CC(C)=CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC000005940186 EH Annotated Clean in-vitro biogenic Cc1nn(-c2ccccc2)c2c1N=C(C(=O)O)CC(c1ccccc1)=N2 ZINC000005940518 EH Annotated Anodyne O=C1Nc2ccc(F)cc2[C@](C#Cc2ccccn2)(C(F)(F)F)O1 ZINC000005940556 EH Annotated Mild O=C1Nc2ccc(F)cc2[C@@](C#Cc2ccccn2)(C(F)(F)F)O1 ZINC000005940579 EH Annotated Mild CC1=C/C(=N\N(C)C)[C@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 ZINC000005941383 EH Annotated Mild O=C1c2ccc3cc(CCl)cc(O)c3c2C(=O)c2cccc(O)c21 ZINC000005941522 EH Annotated Reactive CC(C)(C)Nc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)C ZINC000005950356 EH Annotated Anodyne CC(C)(C)c1ccc(CN(Cc2cccs2)n2cncn2)cc1 ZINC000005950658 EH Annotated Anodyne CC(C)(C)c1ccc(CN(Cc2cccs2)n2cnnc2)cc1 ZINC000005950659 EH Annotated Anodyne COC(=O)/C=C(/C(=O)OC)c1c(C)cc2c(C)cc(C)cc(C)c1-2 ZINC000005954918 EH Annotated Anodyne C=C1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@]2(C)CC[C@]1(OC)C3 ZINC000005955385 EH Annotated Mild C[C@@]1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]2CCCC[C@@H]21 ZINC000005955553 EH Annotated Bother C[C@@H]1CC[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000005955778 EH Annotated Anodyne CC(C)c1c(Sc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O ZINC000005963311 EH Annotated Anodyne CC1(C)CN(c2ccccc2)C(=O)[C@@H]1OC(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2 ZINC000005963656 EH Annotated Anodyne CC1(C)CN(c2ccccc2)C(=O)[C@H]1OC(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2 ZINC000005963657 EH Annotated Anodyne c1ccc(CSc2nc(N3CCCCC3)c3cn[nH]c3n2)cc1 ZINC000005974586 EH Annotated Anodyne COc1cc(O)c2c(c1[C@@H]1CCCN1)O[C@@H](c1ccc(O)cc1)CC2 ZINC000005998934 EH Annotated Anodyne N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCCC[C@@H]2[C@]1(C#N)C(=N)O3 ZINC000005999600 EH Annotated Mild C=C1[C@H]2CC[C@H]3[C@](CC[C@H]4[C@@]35CCC[C@@]4(C)CN3CCO[C@@H]35)(C2)[C@H]1O ZINC000056871219 EH Annotated Mild in-vitro C=C1[C@H]2CC[C@H]3[C@](CC[C@@H]4[C@@]35CCC[C@@]4(C)CN3CCO[C@@H]35)(C2)[C@H]1O ZINC000056871220 EH Annotated Mild in-vitro C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@@H]45)[C@@H]3C2)[C@@H]1O ZINC000056871275 EH Annotated Mild in-vitro C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN4CCO[C@H]45)[C@@H]3C2)[C@@H]1O ZINC000056871276 EH Annotated Mild in-vitro biogenic COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000057011009 EH Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000057011010 EH Annotated Anodyne COc1ccccc1[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2CCCN21 ZINC000057011183 EH Annotated Anodyne COc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2CCCN12 ZINC000057011184 EH Annotated Anodyne COc1cccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(Cl)cc2)c1 ZINC000058046068 EH Annotated Anodyne COc1cccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000058046069 EH Annotated Anodyne CCc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@H]3CCCN32)cc1 ZINC000058046216 EH Annotated Anodyne CCc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)[C@H]3CCCN23)cc1 ZINC000058046218 EH Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccccc2Cl)cc1 ZINC000058046271 EH Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccccc2Cl)cc1 ZINC000058046272 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccccn1 ZINC000058046631 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccccn1 ZINC000058046632 EH Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccccc2)cc1Cl ZINC000058046882 EH Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccccc2)cc1Cl ZINC000058046883 EH Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(C)o2)cc1Cl ZINC000058046960 EH Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(C)o2)cc1Cl ZINC000058046961 EH Annotated Anodyne COc1ccc([C@H]2N(c3cccc(Cl)c3)C(=O)[C@H]3CCCN32)cc1 ZINC000058047051 EH Annotated Anodyne COc1ccc([C@@H]2N(c3cccc(Cl)c3)C(=O)[C@H]3CCCN23)cc1 ZINC000058047052 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@@H](c2ccccc2F)N1c1cccc(Cl)c1 ZINC000058047096 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@H](c2ccccc2F)N1c1cccc(Cl)c1 ZINC000058047097 EH Annotated Anodyne COc1cccc([C@H]2N(c3cccc(Cl)c3)C(=O)[C@H]3CCCN32)c1 ZINC000058047133 EH Annotated Anodyne COc1cccc([C@@H]2N(c3cccc(Cl)c3)C(=O)[C@H]3CCCN23)c1 ZINC000058047134 EH Annotated Anodyne CCOc1ccc([C@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN32)cc1 ZINC000058047335 EH Annotated Anodyne CCOc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN23)cc1 ZINC000058047336 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000058047339 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000058047346 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 ZINC000058047406 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 ZINC000058047412 EH Annotated Anodyne CCOc1ccccc1[C@H]1N(c2ccc(F)cc2)C(=O)[C@H]2CCCN21 ZINC000058047417 EH Annotated Anodyne CCOc1ccccc1[C@@H]1N(c2ccc(F)cc2)C(=O)[C@H]2CCCN12 ZINC000058047418 EH Annotated Anodyne COc1ccc([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@H]3CCCN32)cc1 ZINC000058047505 EH Annotated Anodyne COc1ccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@H]3CCCN23)cc1 ZINC000058047506 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000058047542 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000058047543 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000058047554 EH Annotated Anodyne O=C1[C@H]2CCCN2[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000058047555 EH Annotated Anodyne COc1cccc([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@H]3CCCN32)c1 ZINC000058047603 EH Annotated Anodyne COc1cccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@H]3CCCN23)c1 ZINC000058047604 EH Annotated Anodyne O=C(NCc1cccs1)c1ccc(C[S@@](=O)c2ccccc2)o1 ZINC000058052371 EH Annotated Anodyne CCN1CCN(C(=O)c2cc3c(s2)-c2ccccc2SC3)CC1 ZINC000058070707 EH Annotated Anodyne COc1cc2c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c[nH]c2cc1C ZINC000058468577 EH Annotated Clean CN1CC[C@@]2(c3cccc(O)c3)C/C(=N/Nc3ccccc3)C[C@@H]1C2 ZINC000058482322 EH Annotated Mild CCc1n[nH]c(CC)c1CCC(=O)NCc1ccc(F)cc1Cl ZINC000058494460 EH Annotated Anodyne OC1CCN(CC2CCN([C@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000058494561 EH Annotated Anodyne Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)O2 ZINC000584904845 EH Annotated Anodyne Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2 ZINC000584904847 EH Annotated Anodyne C[C@@H]1C(O)=C(C#N)C[C@]2(C)c3nn(C)c(-c4cccnc4)c3CC[C@@H]12 ZINC000584905127 EH Annotated Reactive Cc1c(Sc2ccc(F)c(F)c2F)sc2nc(=N)[nH]c(N)c12 ZINC000584905229 EH Annotated Anodyne N#Cc1ccccc1Oc1ccc(Cn2cc(C3CC3)nn2)cc1O ZINC000584905744 EH Annotated Mild Brc1ccc(C[n+]2ccn(Cc3ccccc3)c2)cc1 ZINC000058502263 EH Annotated Anodyne C(=C/c1nc2c(NCc3cccnc3)ncnc2[nH]1)\c1ccccc1 ZINC000058506683 EH Annotated Anodyne CCCC/C=C\C#CC#CCCCCC[C@@H](O)C(=O)NCC(C)C ZINC000058506835 EH Annotated Mild O[C@@]1(c2ccc(-c3ccccc3F)cc2)CN2CCCC[C@H]2CO1 ZINC000058522957 EH Annotated Anodyne CO[C@@H]1CC[C@H]1N1C(=O)CS[C@@H]1c1c(Cl)cccc1Cl ZINC000058522961 EH Annotated Anodyne CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000058528830 EH Annotated Anodyne O[C@@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCCC[C@H]2CO1 ZINC000058549821 EH Annotated Anodyne O=S(=O)(CCCCN1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000058558323 EH Annotated Anodyne CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CCC2)OO3)CC[C@@H]1Br ZINC000058566595 EH Annotated Reactive COc1c(-c2ccccc2F)oc2ccc(NC(C)=O)cc2c1=O ZINC000058569306 EH Annotated Anodyne COc1c(-c2ccc(F)cc2)oc2ccc(NC(C)=O)cc2c1=O ZINC000058574916 EH Annotated Anodyne N#Cc1c(N)nc(NCc2ccccc2)c(C#N)c1-c1ccccc1 ZINC000058575590 EH Annotated Mild N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccccc1 ZINC000058576191 EH Annotated Reactive CNCC[C@H](c1ccc2ccccc2c1)n1nnc(-c2ccccc2)n1 ZINC000058581369 EH Annotated Anodyne O/N=C(/c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(Cl)ccc1O ZINC000058581404 EH Annotated Mild O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)c1ccco1 ZINC000058581910 EH Annotated Anodyne C=C1CCCC(C)(C)[C@@H]1CC[C@@](C)(O)CC[C@@H](O)[C@@H](C)C(=O)OC ZINC000058582005 EH Annotated Mild CC(C)C[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc21 ZINC000058582854 EH Annotated Anodyne Nc1ncccc1C(=O)NCc1ccc(Oc2cccc(F)c2)s1 ZINC000058583007 EH Annotated Anodyne CC(C)C[C@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc21 ZINC000058583260 EH Annotated Anodyne CCC(=O)N1[C@@H]2CC[C@@H]3[C@H]1CC[C@H]2N3C/C=C/c1cccc(Cl)c1 ZINC000058583721 EH Annotated Anodyne O=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(Cl)ccc1O ZINC000058590900 EH Annotated Anodyne Cc1cc(C)c(O)c(C(=O)c2cnn(-c3ccc(F)c(F)c3)c2)c1 ZINC000058592438 EH Annotated Anodyne CCCNc1nc(NCCC)nc(N2CCCc3ccccc32)n1 ZINC000058602795 EH Annotated Anodyne CC(C)Nc1nc(NC(C)C)nc(N2CCCc3ccccc32)n1 ZINC000058602834 EH Annotated Anodyne CN1C[C@H]2CCN(c3ccc4cc(Br)ccc4c3)[C@H]2C1 ZINC000058603429 EH Annotated Anodyne NC(=O)c1c(F)c(Cl)c2nc3ccc(Cl)cc3c(O)c2c1F ZINC000058608251 EH Annotated Bother O=C1C[C@H](c2ccccc2)OC(=O)[C@@H]1SCCc1ccccc1 ZINC000058615771 EH Annotated Anodyne COc1ccccc1/C(=C/c1coc2nc(N)nc(N)c12)CC(C)C ZINC000058633326 EH Annotated Anodyne CCc1ccsc1-c1cnc(N)c(C2CCC(C(=O)O)CC2)n1 ZINC000058639108 EH Annotated Anodyne O=C(Nc1ncnc2[nH]c(/C=C/c3ccccc3)nc12)c1ccccc1 ZINC000058649791 EH Annotated Anodyne CC[C@@H](C)/C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000058650152 EH Annotated Anodyne Clc1ccc2ccn(CCN3CCCN4CCCC[C@H]4C3)c2c1 ZINC000058668485 EH Annotated Anodyne FC(F)(F)c1cnc2nc(-c3ccc(Br)o3)[nH]c2c1 ZINC000585876394 EH Annotated Anodyne Cc1cccc(OCc2nc3cc(Br)cnc3[nH]2)c1C ZINC000585876958 EH Annotated Anodyne CCCC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCC1 ZINC000586877576 EH Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000586877607 EH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(CCC)CCC3)[nH]c2c1 ZINC000586877668 EH Annotated Anodyne CCCC1(c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)CCC1 ZINC000586877693 EH Annotated Anodyne CCCC1(c2nc3cc(I)cnc3[nH]2)CCC1 ZINC000586877721 EH Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc4cn[nH]c4cc3[nH]2)CC1 ZINC000586877763 EH Annotated Anodyne C#CCC1(c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)CCCCC1 ZINC000586877796 EH Annotated Mild C#CCC1(c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)CCCCC1 ZINC000586877812 EH Annotated Mild O=C1CCC(c2ccccc2)(c2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000586877826 EH Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000586877891 EH Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586877897 EH Annotated Bother O=C1CCC(c2ccccc2)(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000586877935 EH Annotated Bother Cc1cccc(-c2ccccc2)c1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586878468 EH Annotated Mild CCOC(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 ZINC000586878481 EH Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 ZINC000586878483 EH Annotated Anodyne C#Cc1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000586878625 EH Annotated Mild O=C(O)c1ccccc1/C=C/c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586879191 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586879192 EH Annotated Anodyne CCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1CC ZINC000586879323 EH Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586879468 EH Annotated Anodyne C#Cc1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000586879514 EH Annotated Mild C#CCC1(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CCCCC1 ZINC000586879554 EH Annotated Mild O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586879825 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586879827 EH Annotated Anodyne Cc1cc(-c2nc3ncncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586880096 EH Annotated Anodyne C=Cc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 ZINC000586880128 EH Annotated Anodyne C#CCC1(c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CCCCC1 ZINC000586880151 EH Annotated Mild C#CCC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCCCC1 ZINC000586880207 EH Annotated Mild O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586880425 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586880429 EH Annotated Anodyne C#Cc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000586880476 EH Annotated Mild CC(=O)c1ccc(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)cc1 ZINC000586880534 EH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cncnc3[nH]2)c1 ZINC000586880676 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586880814 EH Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586880819 EH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(=N)[nH]cc3[nH]2)c1 ZINC000586880891 EH Annotated Anodyne Cc1cc(-c2nc3nccc(N)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586880953 EH Annotated Anodyne C#Cc1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000586880978 EH Annotated Mild Cc1cc(-c2nc3ncc[nH]c-3n2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586881048 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586881161 EH Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586881163 EH Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nccc(N)c3[nH]2)cc1 ZINC000586881173 EH Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(Br)ncc2[nH]1 ZINC000586881424 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(Br)ncc2[nH]1 ZINC000586881427 EH Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc[nH]c-3n2)cc1 ZINC000586881646 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000586881686 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000586881750 EH Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586881751 EH Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586881758 EH Annotated Anodyne C=Cc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586882010 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000586882075 EH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cnnc(O)c3[nH]2)c1 ZINC000586882145 EH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc[nH]c(=N)c3[nH]2)c1 ZINC000586882152 EH Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2c(Br)ccnc2[nH]1 ZINC000586882171 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2c(Br)ccnc2[nH]1 ZINC000586882172 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cncc(Cl)c2[nH]1 ZINC000586882178 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000586882190 EH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(O)ncnc3[nH]2)c1 ZINC000586882339 EH Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccnc(Br)c2[nH]1 ZINC000586882347 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccnc(Br)c2[nH]1 ZINC000586882348 EH Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(Br)cnc2[nH]1 ZINC000586882367 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(Br)cnc2[nH]1 ZINC000586882368 EH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cnncc3[nH]2)c1 ZINC000586882370 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000586882388 EH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ncc[nH]c-3n2)c1 ZINC000586882404 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000586882410 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586882428 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586882475 EH Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cncc(Br)c2[nH]1 ZINC000586882480 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cncc(Br)c2[nH]1 ZINC000586882481 EH Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)nc2[nH]1 ZINC000586882564 EH Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)nc2[nH]1 ZINC000586882565 EH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586882567 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1OC ZINC000586883063 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1OC ZINC000586883064 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1OC ZINC000586883065 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1OC ZINC000586883066 EH Annotated Anodyne O=C1CCC[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586883228 EH Annotated Anodyne O=C1CCC[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586883231 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)C2 ZINC000586883386 EH Annotated Bother O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)C2 ZINC000586883388 EH Annotated Bother O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)C2 ZINC000586883583 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)C2 ZINC000586883586 EH Annotated Anodyne O=C1CCC[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000586883722 EH Annotated Anodyne O=C1CCC[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000586883723 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Br)c(O)c3[nH]1)C2 ZINC000586883763 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Br)c(O)c3[nH]1)C2 ZINC000586883777 EH Annotated Anodyne Brc1cnc(Br)c2[nH]c(C3CCC3)nc12 ZINC000586883907 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc12 ZINC000586884055 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc12 ZINC000586884056 EH Annotated Anodyne Clc1ncc(I)c2nc(C3=CCCC3)[nH]c12 ZINC000586884173 EH Annotated Anodyne O=C1CCC[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 ZINC000586884324 EH Annotated Anodyne O=C1CCC[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 ZINC000586884325 EH Annotated Anodyne CCCCC1CCC(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 ZINC000586884326 EH Annotated Anodyne FC(F)(F)c1ncc2nc([C@H]3C[C@@]34CCc3ccccc34)nc-2[nH]1 ZINC000586884381 EH Annotated Anodyne FC(F)(F)c1ncc2nc([C@H]3C[C@]34CCc3ccccc34)nc-2[nH]1 ZINC000586884385 EH Annotated Anodyne FC(F)(F)c1ncc2nc([C@@H]3C[C@@]34CCc3ccccc34)nc-2[nH]1 ZINC000586884386 EH Annotated Anodyne FC(F)(F)c1ncc2nc([C@@H]3C[C@]34CCc3ccccc34)nc-2[nH]1 ZINC000586884387 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586884678 EH Annotated Bother Cc1ccc([C@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586884679 EH Annotated Bother Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586884680 EH Annotated Bother Cc1ccc([C@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586884682 EH Annotated Bother O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)C2 ZINC000586884883 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)C2 ZINC000586884884 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586884919 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586884925 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586884926 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586884927 EH Annotated Anodyne COC(=O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1OC ZINC000586885046 EH Annotated Anodyne COC(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1OC ZINC000586885047 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1OC ZINC000586885048 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1OC ZINC000586885049 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H]3CCCC(=O)CC3)nc2c1 ZINC000586885127 EH Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3CCCC(=O)CC3)nc2c1 ZINC000586885128 EH Annotated Mild Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586885200 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cccc(Br)c3[nH]1)C2 ZINC000586885217 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586885218 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cccc(Br)c3[nH]1)C2 ZINC000586885219 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586885221 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586885223 EH Annotated Anodyne CCCCC1CCC(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC1 ZINC000586885249 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 ZINC000586885399 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 ZINC000586885409 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 ZINC000586885413 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 ZINC000586885417 EH Annotated Anodyne Brc1c[nH]c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc-2n1 ZINC000586885456 EH Annotated Anodyne Brc1c[nH]c2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc-2n1 ZINC000586885458 EH Annotated Anodyne Brc1c[nH]c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc-2n1 ZINC000586885459 EH Annotated Anodyne Brc1c[nH]c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc-2n1 ZINC000586885460 EH Annotated Anodyne CCCOc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br ZINC000586885566 EH Annotated Anodyne CCCOc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br ZINC000586885571 EH Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1Br ZINC000586885820 EH Annotated Anodyne Cc1nc2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1Br ZINC000586885822 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586885839 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586885851 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586885855 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586885861 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586886221 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586886224 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586886227 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586886229 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Br)cc3[nH]1)C2 ZINC000586886301 EH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Br)cc3[nH]1)C2 ZINC000586886304 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586886348 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586886349 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586886350 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586886351 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1OC ZINC000586886450 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1OC ZINC000586886456 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1OC ZINC000586886460 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1OC ZINC000586886464 EH Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886589 EH Annotated Reactive O=C(O)C[C@H](O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886590 EH Annotated Reactive COC(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1OC ZINC000586886983 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1OC ZINC000586886988 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1OC ZINC000586886992 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1OC ZINC000586886994 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586887020 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586887024 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586887184 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586887185 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586887439 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586887441 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586887443 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586887445 EH Annotated Anodyne COc1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1OC ZINC000586887732 EH Annotated Anodyne COc1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1OC ZINC000586887733 EH Annotated Anodyne COc1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1OC ZINC000586887734 EH Annotated Anodyne COc1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1OC ZINC000586887735 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586888012 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586888015 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586888019 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586888022 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586888061 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586888064 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586888066 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586888069 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 ZINC000586888145 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 ZINC000586888146 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586888296 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586888305 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586888309 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586888311 EH Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586888988 EH Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586888995 EH Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586889000 EH Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586889004 EH Annotated Anodyne CCCCCOc1cc2nc(C[C@H](C)O)[nH]c2cc1Br ZINC000586889215 EH Annotated Anodyne CCCCCOc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br ZINC000586889218 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586889413 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586889414 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586889415 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586889416 EH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@@]3(C)CC)[nH]c2c1 ZINC000586889433 EH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@]3(C)CC)[nH]c2c1 ZINC000586889438 EH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@]3(C)CC)[nH]c2c1 ZINC000586889439 EH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@]3(C)CC)[nH]c2c1 ZINC000586889440 EH Annotated Anodyne Oc1cccc([C@@H](O)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000586889807 EH Annotated Anodyne Oc1cccc([C@H](O)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000586889816 EH Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H](C)O)[nH]c2cc1Br ZINC000586889854 EH Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br ZINC000586889859 EH Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000586890583 EH Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000586890602 EH Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586890937 EH Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586890938 EH Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3cc2N1 ZINC000586890972 EH Annotated Anodyne O=C1CCc2cc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3cc2N1 ZINC000586890974 EH Annotated Anodyne O=C1CCc2cc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3cc2N1 ZINC000586890979 EH Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3cc2N1 ZINC000586890983 EH Annotated Anodyne Cc1c(Br)cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1C ZINC000586891018 EH Annotated Anodyne Cc1c(Br)cc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1C ZINC000586891022 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586891731 EH Annotated Mild Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586891732 EH Annotated Mild Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586891733 EH Annotated Mild Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586891734 EH Annotated Mild Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586891773 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586891774 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586891775 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586891776 EH Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586893408 EH Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586893411 EH Annotated Anodyne CC(C)Oc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br ZINC000586893519 EH Annotated Anodyne CC(C)Oc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br ZINC000586893520 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586893685 EH Annotated Bother Cc1ccc([C@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586893688 EH Annotated Bother Cc1ccc([C@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586893690 EH Annotated Bother Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586893693 EH Annotated Bother Oc1cccc([C@H](O)c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586893753 EH Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586893756 EH Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H](O)c4cccc(O)c4)[nH]c3c2)cc1 ZINC000586893869 EH Annotated Clean O=[N+]([O-])c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1[N+](=O)[O-] ZINC000586893878 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1[N+](=O)[O-] ZINC000586893879 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1[N+](=O)[O-] ZINC000586893880 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1[N+](=O)[O-] ZINC000586893881 EH Annotated Bother Nc1ccc(Oc2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)cc1 ZINC000586893883 EH Annotated Clean Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586894206 EH Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586894207 EH Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586894208 EH Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586894209 EH Annotated Anodyne COC(=O)c1cc2nc(CCCCCCCCCCCO)[nH]c2cn1 ZINC000586894469 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCCCCCCCCCCO)nc12 ZINC000586894493 EH Annotated Anodyne COC(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2n1 ZINC000586894525 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CCCCCCCCCCCO)nc2c1 ZINC000586894884 EH Annotated Bother O=[N+]([O-])c1cncc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 ZINC000586894888 EH Annotated Bother OCc1ccccc1-c1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000586894898 EH Annotated Anodyne OCc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586894920 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(CCCCCCCCCCCO)[nH]c12 ZINC000586894943 EH Annotated Bother OCc1ccccc1-c1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000586894992 EH Annotated Anodyne COc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cn1 ZINC000586894997 EH Annotated Anodyne COc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2n1 ZINC000586895025 EH Annotated Anodyne COc1nccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 ZINC000586895100 EH Annotated Anodyne OCc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586895158 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c1 ZINC000586895207 EH Annotated Bother COc1cncc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 ZINC000586895260 EH Annotated Anodyne OCc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000586895285 EH Annotated Bother OCC12CCC(c3nc4cc(Cl)nc(Cl)c4[nH]3)(CC1)CC2 ZINC000586895322 EH Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586895369 EH Annotated Anodyne OCc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586895405 EH Annotated Bother OCc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586895412 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Cl ZINC000586895525 EH Annotated Bother OCC12CCC(c3nc4cc(C(F)(F)F)cnc4[nH]3)(CC1)CC2 ZINC000586895535 EH Annotated Anodyne OCC12CCC(c3nc4c(Cl)c(Cl)cnc4[nH]3)(CC1)CC2 ZINC000586895538 EH Annotated Anodyne OCC12CCC(c3nc4cc(C(F)(F)F)ncc4[nH]3)(CC1)CC2 ZINC000586895570 EH Annotated Anodyne OCC12CCC(c3nc4cccc(Br)c4[nH]3)(CC1)CC2 ZINC000586895571 EH Annotated Anodyne OCC12CCC(c3nc4c(Cl)cnc(Cl)c4[nH]3)(CC1)CC2 ZINC000586895584 EH Annotated Anodyne OCC12CCC(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)(CC1)CC2 ZINC000586895589 EH Annotated Anodyne OCC12CCC(c3nc4ccc(Br)cc4[nH]3)(CC1)CC2 ZINC000586895597 EH Annotated Anodyne OCC12CCC(c3nc4cc(Cl)c(Cl)nc4[nH]3)(CC1)CC2 ZINC000586895746 EH Annotated Anodyne OCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586895772 EH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(C34CCC(CO)(CC3)CC4)nc2c1 ZINC000586895783 EH Annotated Anodyne OCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 ZINC000586895806 EH Annotated Anodyne Oc1ccc(C2(c3nc4ccc(Br)nc4[nH]3)CC2)cc1 ZINC000586895848 EH Annotated Anodyne Cc1nc2[nH]c(C3(c4ccc(O)cc4)CC3)nc2cc1Br ZINC000586896018 EH Annotated Anodyne O=C(O)c1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1F ZINC000586896043 EH Annotated Anodyne Oc1ccc(C2(c3nc4ccc(Br)c(O)c4[nH]3)CC2)cc1 ZINC000586896088 EH Annotated Anodyne Nc1ccc(-c2ccc3nc(CCc4cccc(O)c4)[nH]c3c2)cc1N ZINC000586896093 EH Annotated Anodyne Oc1cccc(CCCCc2nc3c(Br)ccnc3[nH]2)c1 ZINC000586896111 EH Annotated Anodyne CC(C)c1cc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(O)c(C(C)C)c1 ZINC000586896184 EH Annotated Mild Oc1cccc(CCCCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000586896219 EH Annotated Anodyne O=C1CCc2cc3nc(CCCCc4cccc(O)c4)[nH]c3cc2N1 ZINC000586896224 EH Annotated Anodyne Oc1ccc(C2(c3nc4cc(Br)cnc4[nH]3)CC2)cc1 ZINC000586896249 EH Annotated Anodyne Oc1cccc(CCCCc2nc3cncc(Br)c3[nH]2)c1 ZINC000586896269 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1F ZINC000586896274 EH Annotated Bother O=[N+]([O-])c1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Cl ZINC000586896277 EH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(C3(c4ccccc4O)CC3)nc2c1 ZINC000586896287 EH Annotated Anodyne Oc1ccc(C2(c3nc4ccnc(Br)c4[nH]3)CC2)cc1 ZINC000586896304 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCCCc3cccc(O)c3)[nH]c12 ZINC000586896314 EH Annotated Anodyne Oc1ccccc1C1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 ZINC000586896317 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCc3cccc(O)c3)nc12 ZINC000586896358 EH Annotated Anodyne Oc1ccccc1C1(c2nc3c(F)cnc(Br)c3[nH]2)CC1 ZINC000586896388 EH Annotated Anodyne Oc1cccc(CCc2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586896410 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3(c4ccc(O)cc4)CC3)nc2c1 ZINC000586896431 EH Annotated Anodyne Oc1cccc(CCCCc2nc3cc(Br)ncc3[nH]2)c1 ZINC000586896437 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCCCc3cccc(O)c3)[nH]c12 ZINC000586896449 EH Annotated Mild CC(C)c1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(O)c(C(C)C)c1 ZINC000586896452 EH Annotated Anodyne Oc1cccc(CCCCc2nc3cc(Br)cnc3[nH]2)c1 ZINC000586896465 EH Annotated Anodyne Oc1ccc(C2(c3nc4cc(Br)ncc4[nH]3)CC2)cc1 ZINC000586896480 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(c4ccc(O)cc4)CC3)nc12 ZINC000586896491 EH Annotated Anodyne Oc1cccc(CCCCc2nc3ccc(Br)nc3[nH]2)c1 ZINC000586896522 EH Annotated Anodyne Oc1ccccc1C1(c2nc3cncc(Br)c3[nH]2)CC1 ZINC000586896597 EH Annotated Anodyne Oc1ccc(C2(c3nc4cncc(Br)c4[nH]3)CC2)cc1 ZINC000586896605 EH Annotated Anodyne Oc1ccccc1C1(c2nc3cc(Br)ncc3[nH]2)CC1 ZINC000586896646 EH Annotated Anodyne Oc1cccc(CCc2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586896689 EH Annotated Anodyne Oc1ccc(C2(c3nc4c(Br)ccnc4[nH]3)CC2)cc1 ZINC000586896722 EH Annotated Anodyne COc1cc(OC)c2[nH]c(CCCCc3cccc(O)c3)nc2c1 ZINC000586896776 EH Annotated Anodyne Oc1cccc(CCCCc2nc3ccnc(Br)c3[nH]2)c1 ZINC000586896794 EH Annotated Anodyne Oc1cccc(CCCCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000586896818 EH Annotated Anodyne CC(C)c1cc(-c2nc3c(O)nc(S)nc3[nH]2)c(O)c(C(C)C)c1 ZINC000586896866 EH Annotated Anodyne Oc1ccccc1C1(c2nc3ccc(Br)c(O)c3[nH]2)CC1 ZINC000586896975 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc12 ZINC000586896979 EH Annotated Anodyne Oc1cccc(CCc2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586897002 EH Annotated Anodyne Oc1ccccc1C1(c2nc3ccc(Br)nc3[nH]2)CC1 ZINC000586897063 EH Annotated Anodyne Cc1nc2[nH]c(CCc3cccc(O)c3)nc2cc1Br ZINC000586897066 EH Annotated Anodyne Oc1ccccc1C1(c2nc3c(Br)ccnc3[nH]2)CC1 ZINC000586897071 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(c4ccccc4O)CC3)nc12 ZINC000586897097 EH Annotated Anodyne Oc1ccccc1C1(c2nc3cc(Br)cnc3[nH]2)CC1 ZINC000586897099 EH Annotated Anodyne Oc1cccc(CCc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000586897169 EH Annotated Anodyne N#Cc1cc2nc(CCc3cccc(O)c3)[nH]c2cc1C(F)(F)F ZINC000586897184 EH Annotated Mild N#Cc1cc(Br)c2[nH]c(CCc3cccc(O)c3)nc2c1 ZINC000586897190 EH Annotated Mild Oc1ccccc1C1(c2nc3ccnc(Br)c3[nH]2)CC1 ZINC000586897222 EH Annotated Anodyne Oc1cccc(CCc2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000586897242 EH Annotated Anodyne Oc1cccc(CCc2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586897243 EH Annotated Anodyne Cc1nc2[nH]c(C3(c4ccccc4O)CC3)nc2cc1Br ZINC000586897301 EH Annotated Anodyne Oc1c(-c2nc3ccnc(Br)c3[nH]2)ccc2c1CCCC2 ZINC000586897339 EH Annotated Anodyne Oc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc2c1CCCC2 ZINC000586897348 EH Annotated Anodyne Oc1c(-c2nc3cncc(Br)c3[nH]2)ccc2c1CCCC2 ZINC000586897424 EH Annotated Anodyne Oc1c(-c2nc3ccc(Br)nc3[nH]2)ccc2c1CCCC2 ZINC000586897786 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 ZINC000586897798 EH Annotated Bother Oc1ccc(C2(c3nc4c(F)cnc(Br)c4[nH]3)CC2)cc1 ZINC000586897958 EH Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000586898094 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1F ZINC000586898155 EH Annotated Bother Oc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc2c1CCCC2 ZINC000586898299 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3-c3ccc(O)cc3)nc12 ZINC000586898415 EH Annotated Anodyne Oc1c(-c2nc3cc(Br)ncc3[nH]2)ccc2c1CCCC2 ZINC000586898680 EH Annotated Anodyne Oc1ccc(C2(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC2)cc1 ZINC000586898777 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3-c3ccc(O)cc3)nc2c1 ZINC000586898780 EH Annotated Bother O[C@H]1CC[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 ZINC000586898921 EH Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000586898943 EH Annotated Anodyne O=C1CCc2cc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3cc2N1 ZINC000586898964 EH Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000586899160 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2n1 ZINC000586899369 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 ZINC000586899399 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 ZINC000586899405 EH Annotated Bother Oc1c(-c2nc3c(Br)ccnc3[nH]2)ccc2c1CCCC2 ZINC000586899419 EH Annotated Anodyne Oc1c(-c2nc3cc(Br)cnc3[nH]2)ccc2c1CCCC2 ZINC000586899423 EH Annotated Anodyne COc1nccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 ZINC000586900054 EH Annotated Anodyne Cc1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2n1 ZINC000586900087 EH Annotated Anodyne CCCCOc1cc2nc([C@@H](O)CC)[nH]c2cc1Br ZINC000586900097 EH Annotated Anodyne CC[C@H](O)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000586900104 EH Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cccc(Br)c3[nH]2)c2ccccc21 ZINC000586900229 EH Annotated Anodyne O[C@H]1C[C@H](c2nc3cccc(Br)c3[nH]2)c2ccccc21 ZINC000586900231 EH Annotated Anodyne O[C@H]1C[C@@H](c2nc3cccc(Br)c3[nH]2)c2ccccc21 ZINC000586900232 EH Annotated Anodyne O[C@@H]1C[C@H](c2nc3cccc(Br)c3[nH]2)c2ccccc21 ZINC000586900233 EH Annotated Anodyne CC[C@H](O)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586900334 EH Annotated Anodyne Cc1cnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1 ZINC000586900376 EH Annotated Anodyne COc1cncc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 ZINC000586900381 EH Annotated Anodyne COc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cn1 ZINC000586900384 EH Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(O)cc3[nH]2)cc1 ZINC000586900445 EH Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2cc1Br ZINC000586900461 EH Annotated Anodyne Cc1nc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2cc1Br ZINC000586900462 EH Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2cc1Br ZINC000586900463 EH Annotated Anodyne Cc1nc2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2cc1Br ZINC000586900464 EH Annotated Anodyne CC[C@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586900471 EH Annotated Anodyne C(#Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)co1)c1ccccc1 ZINC000586900564 EH Annotated Mild N[C@@H](N=O)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1 ZINC000586900705 EH Annotated Mild N[C@H](N=O)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1 ZINC000586900706 EH Annotated Mild CC[C@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586900732 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 ZINC000586900746 EH Annotated Anodyne CC[C@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586900753 EH Annotated Anodyne CC[C@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586900847 EH Annotated Anodyne Cc1cncc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 ZINC000586900921 EH Annotated Anodyne OCCc1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1 ZINC000586901125 EH Annotated Mild Cc1nccc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 ZINC000586901140 EH Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586901208 EH Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cccc(O)c3[nH]2)cc1 ZINC000586901372 EH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccoc3C3CC3)nc-2[nH]1 ZINC000586901401 EH Annotated Anodyne CC[C@H](O)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586901430 EH Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(F)cnc3[nH]2)cc1 ZINC000586901470 EH Annotated Anodyne C(#Cc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)co1)c1ccccc1 ZINC000586901471 EH Annotated Mild CC(C)(CO)[C@@H](O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586901517 EH Annotated Anodyne COc1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2n1 ZINC000586901652 EH Annotated Anodyne CC[C@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586901680 EH Annotated Anodyne N#Cc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1C#N ZINC000586902077 EH Annotated Mild CCOCc1ccc(-c2nc3ncc(Br)c(C)c3[nH]2)o1 ZINC000586902192 EH Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Cl ZINC000586902248 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Cl ZINC000586902249 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Cl ZINC000586902250 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Cl ZINC000586902254 EH Annotated Bother CCOCc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)o1 ZINC000586902261 EH Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586902364 EH Annotated Anodyne Cc1oc2c(c1-c1nc3cc(Cl)nc(C#N)c3[nH]1)C(=O)CCC2 ZINC000586902424 EH Annotated Mild CCOCc1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)o1 ZINC000586902551 EH Annotated Anodyne COc1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cc1OC ZINC000586902558 EH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4nc(Cl)ccc4[nH]3)oc12 ZINC000586902598 EH Annotated Anodyne Cc1oc2c(c1-c1nc3cncc(Br)c3[nH]1)C(=O)CCC2 ZINC000586902691 EH Annotated Anodyne Brc1c[nH]c2nc(CCc3cc4ccccc4o3)nc-2n1 ZINC000586902822 EH Annotated Anodyne Cc1oc2c(c1-c1nc3cc4c(cc3[nH]1)OCCCO4)C(=O)CCC2 ZINC000586902823 EH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cnc(Cl)cc4[nH]3)oc12 ZINC000586902850 EH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)oc12 ZINC000586902857 EH Annotated Bother Cc1ccc(-c2ccc(-c3nc4nc(=N)[nH]c(Cl)c4[nH]3)cc2)o1 ZINC000586902993 EH Annotated Anodyne CCOCc1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)o1 ZINC000586903090 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586903182 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586903184 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586903186 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586903187 EH Annotated Anodyne Cc1oc2c(c1-c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)C(=O)CCC2 ZINC000586903200 EH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc5[nH]ncc5cc4[nH]3)oc12 ZINC000586903215 EH Annotated Anodyne Cc1oc2c(c1-c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C(=O)CCC2 ZINC000586903318 EH Annotated Bother Cc1oc2c(c1-c1nc3ccc(Br)nc3[nH]1)C(=O)CCC2 ZINC000586903323 EH Annotated Anodyne Oc1nc2cc3nc(-c4coc(C#Cc5ccccc5)c4)[nH]c3cc2[nH]1 ZINC000586903326 EH Annotated Mild COc1ccc(C=O)c2cc(-c3nc4nccc(Cl)c4[nH]3)oc12 ZINC000586903351 EH Annotated Anodyne Cc1cc2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2cc1[N+](=O)[O-] ZINC000586903376 EH Annotated Bother Cc1cc2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2cc1[N+](=O)[O-] ZINC000586903378 EH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2c1 ZINC000586903478 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2c1 ZINC000586903479 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2c1 ZINC000586903480 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2c1 ZINC000586903481 EH Annotated Anodyne CCOCc1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)o1 ZINC000586903514 EH Annotated Anodyne CCOCc1ccc(-c2nc3c(Br)cc(C#N)cc3[nH]2)o1 ZINC000586903661 EH Annotated Mild Cc1oc2c(c1-c1nc3cc(Br)ncc3[nH]1)C(=O)CCC2 ZINC000586903703 EH Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)oc2c1[C@H](O)CCC2 ZINC000586903705 EH Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)oc2c1[C@@H](O)CCC2 ZINC000586903708 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 ZINC000586903778 EH Annotated Mild Cc1cc2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2cc1[N+](=O)[O-] ZINC000586903790 EH Annotated Bother Cc1oc2c(c1-c1nc3cc4c(cc3[nH]1)NC(=O)CC4)C(=O)CCC2 ZINC000586903792 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc12 ZINC000586903890 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc12 ZINC000586903891 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc12 ZINC000586903893 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc12 ZINC000586903894 EH Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586903963 EH Annotated Anodyne Cc1oc2c(c1-c1nc3cc(Br)cnc3[nH]1)C(=O)CCC2 ZINC000586904001 EH Annotated Anodyne CCOCc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)o1 ZINC000586904057 EH Annotated Anodyne CCOCc1ccc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)o1 ZINC000586904062 EH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)oc12 ZINC000586904089 EH Annotated Mild COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(F)c4[nH]3)oc12 ZINC000586904120 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586904125 EH Annotated Mild COc1ccc(C=O)c2cc(-c3nc4c(Cl)nccc4[nH]3)oc12 ZINC000586904161 EH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Cl)cncc4[nH]3)oc12 ZINC000586904171 EH Annotated Anodyne FC(F)(F)c1ncc2nc(CCc3cc4ccccc4o3)nc-2[nH]1 ZINC000586904188 EH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4ncc(Cl)cc4[nH]3)oc12 ZINC000586904246 EH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)oc12 ZINC000586904499 EH Annotated Anodyne COc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1F ZINC000586904590 EH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 ZINC000586904600 EH Annotated Anodyne Cc1oc2c(c1-c1nc3ccnc(Br)c3[nH]1)C(=O)CCC2 ZINC000586904631 EH Annotated Anodyne CCc1oc2ccccc2c1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586904649 EH Annotated Anodyne Cc1oc2c(c1-c1nc3c(Br)ccnc3[nH]1)C(=O)CCC2 ZINC000586904654 EH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2c1 ZINC000586904752 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3occ4c3CCC4)nc2c1 ZINC000586904873 EH Annotated Mild Cc1c(-c2nc3c(Br)cncc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586904943 EH Annotated Anodyne Cc1c(-c2nc3c(Br)cncc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586904944 EH Annotated Anodyne O[C@H]1C[C@@H](c2nc3ccc(Br)cc3[nH]2)c2ccccc21 ZINC000586904995 EH Annotated Anodyne O[C@@H]1C[C@@H](c2nc3ccc(Br)cc3[nH]2)c2ccccc21 ZINC000586904996 EH Annotated Anodyne O[C@@H]1C[C@H](c2nc3ccc(Br)cc3[nH]2)c2ccccc21 ZINC000586904997 EH Annotated Anodyne O[C@H]1C[C@H](c2nc3ccc(Br)cc3[nH]2)c2ccccc21 ZINC000586904998 EH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3occ4c3CCC4)[nH]c12 ZINC000586905129 EH Annotated Bother FC(F)(F)c1nc(Cl)[nH]c2nc(-c3occ4c3CCC4)nc1-2 ZINC000586905153 EH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3occ4c3CCC4)[nH]c12 ZINC000586905239 EH Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3occ4c3CCC4)[nH]c12 ZINC000586905259 EH Annotated Anodyne Cc1c(-c2nc3nccc(Br)c3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905332 EH Annotated Anodyne Cc1c(-c2nc3nccc(Br)c3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905333 EH Annotated Anodyne Cc1c(-c2nc3nc(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905346 EH Annotated Anodyne Cc1c(-c2nc3nc(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905347 EH Annotated Anodyne Cc1c(-c2nc3c(Br)nccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905398 EH Annotated Anodyne Cc1c(-c2nc3c(Br)nccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905399 EH Annotated Anodyne COc1cc(OC)c2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2c1 ZINC000586905407 EH Annotated Anodyne COc1cc(OC)c2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2c1 ZINC000586905408 EH Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)oc2c1[C@@H](O)CCC2 ZINC000586905462 EH Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)oc2c1[C@H](O)CCC2 ZINC000586905463 EH Annotated Anodyne Cc1c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905476 EH Annotated Anodyne Cc1c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905477 EH Annotated Anodyne Cc1c(-c2nc3cnc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905538 EH Annotated Anodyne Cc1c(-c2nc3cnc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905539 EH Annotated Anodyne COc1cc2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2cc1OC ZINC000586905580 EH Annotated Anodyne COc1cc2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2cc1OC ZINC000586905581 EH Annotated Anodyne Cc1c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905597 EH Annotated Anodyne Cc1c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905598 EH Annotated Anodyne Cc1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905677 EH Annotated Bother Cc1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905678 EH Annotated Bother Cc1c(-c2nc3ncc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905679 EH Annotated Anodyne Cc1c(-c2nc3ncc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905680 EH Annotated Anodyne O=C1O/C(=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21 ZINC000586905733 EH Annotated Anodyne O=C1O/C(=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21 ZINC000586905734 EH Annotated Anodyne O=C1O/C(=C\c2nc3cc(C(F)(F)F)cnc3[nH]2)c2ccccc21 ZINC000586906079 EH Annotated Anodyne O=C1O/C(=C/c2nc3cc(C(F)(F)F)cnc3[nH]2)c2ccccc21 ZINC000586906080 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586906285 EH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586906287 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586906290 EH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586906291 EH Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586906295 EH Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586906297 EH Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586906360 EH Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586906362 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000586906429 EH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000586906430 EH Annotated Anodyne O=C1O/C(=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)c2ccccc21 ZINC000586906556 EH Annotated Anodyne O=C1O/C(=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)c2ccccc21 ZINC000586906557 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586906694 EH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586906695 EH Annotated Anodyne O=C1O/C(=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2ccccc21 ZINC000586906739 EH Annotated Bother O=C1O/C(=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2ccccc21 ZINC000586906740 EH Annotated Bother c1ccc2sc(-c3ccc4nc(CC5OCCO5)[nH]c4c3)nc2c1 ZINC000586906795 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586907019 EH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586907021 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(Cl)nc(Cl)cc3[nH]1)=C2 ZINC000586907109 EH Annotated Anodyne O=C1CCc2cc3nc(CCc4cc5ccccc5o4)[nH]c3cc2N1 ZINC000586907135 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3cnc(C(F)(F)F)cc3[nH]1)=C2 ZINC000586907345 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3ncc(Cl)c(Cl)c3[nH]1)=C2 ZINC000586907379 EH Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)ccc21 ZINC000586907462 EH Annotated Reactive O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586907494 EH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586907495 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586907586 EH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586907600 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586907605 EH Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)ccc21 ZINC000586907697 EH Annotated Reactive Oc1cccc2c1OCC(c1nc3c(F)c(F)c(F)c(F)c3[nH]1)=C2 ZINC000586907713 EH Annotated Anodyne Cc1c(Br)cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1C ZINC000586907808 EH Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1C ZINC000586907813 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3nc(Cl)c(Cl)cc3[nH]1)=C2 ZINC000586907960 EH Annotated Anodyne COc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Cl ZINC000586907969 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586907982 EH Annotated Bother O=C1c2ccoc2CC[C@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586907995 EH Annotated Bother CC1(C)OC(=O)C[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586907998 EH Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586908002 EH Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Cl ZINC000586908011 EH Annotated Bother FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CC3OCCO3)nc2c1 ZINC000586908365 EH Annotated Anodyne COc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Cl ZINC000586908504 EH Annotated Anodyne COc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Cl ZINC000586908505 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc(Br)c2[nH]1 ZINC000586908513 EH Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cccc(Br)c2[nH]1 ZINC000586908514 EH Annotated Anodyne c1ccc(Sc2ccc3nc(C[C@@H]4COCCO4)[nH]c3c2)cc1 ZINC000586908520 EH Annotated Anodyne c1ccc(Sc2ccc3nc(C[C@H]4COCCO4)[nH]c3c2)cc1 ZINC000586908521 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(Cl)ncc(Cl)c3[nH]1)=C2 ZINC000586908856 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3cc(Br)ccc3[nH]1)=C2 ZINC000586909213 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3ncc(C(F)(F)F)cc3[nH]1)=C2 ZINC000586909235 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(Br)cccc3[nH]1)=C2 ZINC000586909272 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1 ZINC000586909274 EH Annotated Mild N#Cc1cc(Cl)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 ZINC000586909279 EH Annotated Mild O=C1c2ccoc2CC[C@H]1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586909309 EH Annotated Anodyne Oc1cccc2c1OCC(c1nc3cc(F)c(-n4cccn4)cc3[nH]1)=C2 ZINC000586909311 EH Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586909312 EH Annotated Anodyne Cc1cncc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586909434 EH Annotated Mild Cc1cncc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586909437 EH Annotated Mild Oc1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586909796 EH Annotated Mild Oc1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586909797 EH Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cnccc2[nH]1 ZINC000586909878 EH Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cnccc2[nH]1 ZINC000586909879 EH Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cccnc2[nH]1 ZINC000586910161 EH Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cccnc2[nH]1 ZINC000586910162 EH Annotated Mild Oc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586910190 EH Annotated Mild Oc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586910191 EH Annotated Mild Fc1cnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586910434 EH Annotated Mild Fc1cnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586910436 EH Annotated Mild CC1(C)OC(=O)C[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586910456 EH Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586910459 EH Annotated Anodyne Cc1ccnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586910572 EH Annotated Mild Cc1ccnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586910573 EH Annotated Mild Cc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2n1 ZINC000586910611 EH Annotated Mild Cc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2n1 ZINC000586910613 EH Annotated Mild CC[C@@H]1OCCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586910709 EH Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586910712 EH Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@H]3CCOC3)nc12 ZINC000586910727 EH Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@@H]3CCOC3)nc12 ZINC000586910732 EH Annotated Anodyne Cc1nccc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586910851 EH Annotated Mild Cc1nccc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586910852 EH Annotated Mild CC1(C)OC(=O)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586910884 EH Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586910885 EH Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H]3CCOC3)nc2c1 ZINC000586910972 EH Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3CCOC3)nc2c1 ZINC000586910974 EH Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586910996 EH Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586910997 EH Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586911349 EH Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586911354 EH Annotated Anodyne CC1(C)COc2c(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cccc21 ZINC000586911380 EH Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586911452 EH Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586911461 EH Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586911462 EH Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586911463 EH Annotated Anodyne Cc1cnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586911523 EH Annotated Mild Cc1cnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586911524 EH Annotated Mild CC1(C)COc2c(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cccc21 ZINC000586911615 EH Annotated Anodyne CC(C)COc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br ZINC000586911726 EH Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br ZINC000586911727 EH Annotated Anodyne CC1(C)COc2c(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cccc21 ZINC000586911954 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 ZINC000586911993 EH Annotated Anodyne CCCOc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br ZINC000586912000 EH Annotated Anodyne CCCOc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br ZINC000586912001 EH Annotated Anodyne Brc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br ZINC000586912032 EH Annotated Anodyne Brc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br ZINC000586912033 EH Annotated Anodyne CC1(C)COc2c(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cccc21 ZINC000586912088 EH Annotated Bother Cc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1F ZINC000586912128 EH Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H]3CCOC3)[nH]c12 ZINC000586912440 EH Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H]3CCOC3)[nH]c12 ZINC000586912441 EH Annotated Anodyne Cc1cc(F)c2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2c1 ZINC000586912505 EH Annotated Anodyne COc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1F ZINC000586912584 EH Annotated Anodyne Brc1cc2nc(C3=COCC3)[nH]c2cc1Br ZINC000586912638 EH Annotated Anodyne O[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCOCC1 ZINC000586912762 EH Annotated Anodyne O[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCOCC1 ZINC000586912763 EH Annotated Anodyne Oc1ccc(C2(c3nc4cnc5ccccc5c4[nH]3)CCOCC2)cc1 ZINC000586912765 EH Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586912848 EH Annotated Clean CC1(C)OC(=O)C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586912849 EH Annotated Clean FC(F)(F)c1cc2nc([C@H]3CCOC3)[nH]c2cc1Br ZINC000586912868 EH Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br ZINC000586912870 EH Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H]3CCOC3)[nH]c12 ZINC000586912942 EH Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H]3CCOC3)[nH]c12 ZINC000586912943 EH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CCOC4)[nH]c3c2)cc1 ZINC000586912958 EH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4CCOC4)[nH]c3c2)cc1 ZINC000586912959 EH Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br ZINC000586913010 EH Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br ZINC000586913011 EH Annotated Anodyne Oc1ccc(C2(c3nc4cc(F)c(F)c(F)c4[nH]3)CCOCC2)cc1 ZINC000586913134 EH Annotated Anodyne Oc1ccc(C2(c3nc4cc(F)c(F)cc4[nH]3)CCOCC2)cc1 ZINC000586913157 EH Annotated Anodyne O[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCOCC1 ZINC000586913171 EH Annotated Anodyne O[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCOCC1 ZINC000586913172 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc12 ZINC000586913212 EH Annotated Anodyne OC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCOCC1 ZINC000586913250 EH Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586913350 EH Annotated Mild CC[C@H]1OCCC[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586913352 EH Annotated Mild CC[C@@H]1OCCC[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586913353 EH Annotated Mild CC[C@H]1OCCC[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586913354 EH Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(C3=COCC3)[nH]c12 ZINC000586913513 EH Annotated Anodyne Oc1ccc(C2(c3nc4cc(F)cc(F)c4[nH]3)CCOCC2)cc1 ZINC000586913534 EH Annotated Anodyne Oc1ccc(C2(c3nc4ccc(F)c(F)c4[nH]3)CCOCC2)cc1 ZINC000586913554 EH Annotated Anodyne O[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCOCC1 ZINC000586913579 EH Annotated Anodyne O[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCOCC1 ZINC000586913581 EH Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(C3=COCC3)nc2c1 ZINC000586913613 EH Annotated Anodyne Brc1ccc(Br)c2[nH]c(C3=COCC3)nc12 ZINC000586913624 EH Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586913774 EH Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586913775 EH Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586913776 EH Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586913777 EH Annotated Anodyne Oc1ccc(C2(c3nc4ccc5ncccc5c4[nH]3)CCOCC2)cc1 ZINC000586913839 EH Annotated Anodyne Oc1ccc(C2(c3nc4c(F)cnc(Cl)c4[nH]3)CCOCC2)cc1 ZINC000586913872 EH Annotated Anodyne COc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1C ZINC000586913899 EH Annotated Anodyne FC(F)(F)Oc1cc2nc(C3=COCC3)[nH]c2cc1Br ZINC000586913932 EH Annotated Anodyne CC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913990 EH Annotated Anodyne Cc1c(F)ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586914073 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000586915280 EH Annotated Mild COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000586915281 EH Annotated Mild COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000586915282 EH Annotated Mild COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000586915283 EH Annotated Mild COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586915491 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586915492 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586915493 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586915494 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(OC)c2[nH]1 ZINC000586916073 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(OC)c2[nH]1 ZINC000586916074 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(OC)c2[nH]1 ZINC000586916075 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(OC)c2[nH]1 ZINC000586916076 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000586916077 EH Annotated Mild COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000586916078 EH Annotated Mild COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000586916079 EH Annotated Mild COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000586916080 EH Annotated Mild COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000586916100 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000586916101 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000586916102 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000586916103 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(C)nc(C)cc2[nH]1 ZINC000586916371 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(C)nc(C)cc2[nH]1 ZINC000586916374 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(C)nc(C)cc2[nH]1 ZINC000586916375 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(C)nc(C)cc2[nH]1 ZINC000586916376 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000586916455 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000586916456 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000586916457 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000586916458 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(OC)cc2[nH]1 ZINC000586916667 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(OC)cc2[nH]1 ZINC000586916670 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(OC)cc2[nH]1 ZINC000586916672 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(OC)cc2[nH]1 ZINC000586916675 EH Annotated Anodyne O=c1ccc2cc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)ccc2o1 ZINC000586916704 EH Annotated Bother C[C@H]1CCO[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1 ZINC000586916816 EH Annotated Clean C[C@H]1CCO[C@H](c2nc3cccc(I)c3[nH]2)C1 ZINC000586916876 EH Annotated Anodyne C[C@@H]1O[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586916897 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586917022 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586917024 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586917026 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586917029 EH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5O[C@H]5C)[nH]c4c3)o2)cc1 ZINC000586917113 EH Annotated Anodyne COC(=O)c1cc2nc([C@@H]3O[C@H]3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586917123 EH Annotated Anodyne C[C@H]1CCO[C@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)C1 ZINC000586917269 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000586917277 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000586917278 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000586917279 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000586917280 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 ZINC000586917376 EH Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Cl ZINC000586917430 EH Annotated Bother O=c1ccc2cc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)ccc2o1 ZINC000586917468 EH Annotated Anodyne Fc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1Br ZINC000586917487 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586917574 EH Annotated Anodyne Clc1cc(Br)cc2nc(C3CC4(COC4)C3)[nH]c12 ZINC000586917586 EH Annotated Anodyne C[C@@H]1O[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586917615 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000586917651 EH Annotated Anodyne C[C@H]1CCO[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C1 ZINC000586917652 EH Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000586917654 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000586917658 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000586917661 EH Annotated Anodyne C[C@H]1CCO[C@H](c2nc3ccc(I)cc3[nH]2)C1 ZINC000586917844 EH Annotated Anodyne C[C@H]1CCO[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C1 ZINC000586917941 EH Annotated Bother C[C@H]1CCO[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C1 ZINC000586917963 EH Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(C3CC4(COC4)C3)[nH]c2cn1 ZINC000586917994 EH Annotated Anodyne C[C@H]1CCO[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C1 ZINC000586917998 EH Annotated Anodyne C[C@@H]1O[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586918008 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000586918041 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000586918042 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000586918043 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000586918045 EH Annotated Anodyne O[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C1CCOCC1 ZINC000586918112 EH Annotated Anodyne O[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C1CCOCC1 ZINC000586918113 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000586918132 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000586918134 EH Annotated Anodyne C[C@@H]1O[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586918139 EH Annotated Anodyne Fc1cc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 ZINC000586918179 EH Annotated Anodyne CCCCOc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Br ZINC000586918250 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000586918326 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000586918327 EH Annotated Anodyne FC(F)(F)Oc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 ZINC000586918461 EH Annotated Anodyne N#Cc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1C(F)(F)F ZINC000586918488 EH Annotated Mild Clc1cc(Br)c2[nH]c(C3CC4(COC4)C3)nc2c1 ZINC000586918589 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3COc4ccccc4O3)nc12 ZINC000586918625 EH Annotated Anodyne O=c1ccc2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc2o1 ZINC000586918794 EH Annotated Anodyne C[C@@H]1O[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586918835 EH Annotated Anodyne CC(C)COc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Br ZINC000586918899 EH Annotated Anodyne FC(F)(F)Oc1cccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586918947 EH Annotated Anodyne O=c1ccc2cc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)ccc2o1 ZINC000586919045 EH Annotated Anodyne O=c1ccc2cc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)ccc2o1 ZINC000586919072 EH Annotated Anodyne Fc1c(Br)ccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586919204 EH Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cccnc2[nH]1)c1ccccc1 ZINC000586921058 EH Annotated Anodyne C=CCc1cccc2nc(Cc3cccc(S(=O)(=O)CC)c3)[nH]c12 ZINC000586921451 EH Annotated Mild CCS(=O)(=O)c1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586921510 EH Annotated Mild CCS(=O)(=O)c1cccc(Cc2nc3c(C)ccc(C)c3[nH]2)c1 ZINC000586921901 EH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586921984 EH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586922242 EH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586922456 EH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586922730 EH Annotated Anodyne C=CCc1cccc2nc(-c3ccccc3S(=O)(=O)CC)[nH]c12 ZINC000586922881 EH Annotated Mild Cc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Cl ZINC000586923942 EH Annotated Anodyne Cc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Cl ZINC000586923943 EH Annotated Anodyne Cc1cc(Cl)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586923972 EH Annotated Anodyne Cc1cc(Cl)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586923973 EH Annotated Anodyne COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Cl ZINC000586924025 EH Annotated Anodyne COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Cl ZINC000586924026 EH Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C1CCCC1 ZINC000586924028 EH Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(Cl)cc(F)c2[nH]1)c1ccccc1 ZINC000586924104 EH Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(Cl)cc(F)c2[nH]1)c1ccccc1 ZINC000586924105 EH Annotated Anodyne CC(C)(C)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586924178 EH Annotated Anodyne CC(C)(C)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586924179 EH Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1 ZINC000586924223 EH Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1 ZINC000586924224 EH Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C1CCCC1 ZINC000586924259 EH Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(Cl)c(F)cc2[nH]1)c1ccccc1 ZINC000586924287 EH Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(Cl)c(F)cc2[nH]1)c1ccccc1 ZINC000586924288 EH Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c32)n1 ZINC000586924301 EH Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c32)n1 ZINC000586924303 EH Annotated Anodyne Cc1c(Cl)ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924469 EH Annotated Anodyne Cc1c(Cl)ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924472 EH Annotated Anodyne CC(C)Oc1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586924517 EH Annotated Anodyne CC(C)Oc1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586924519 EH Annotated Anodyne CS(=O)(=O)/C=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586924649 EH Annotated Anodyne O=S(=O)(/C=C\c1nc2cnc3ccccc3c2[nH]1)c1ccccc1 ZINC000586924652 EH Annotated Anodyne O=S(=O)(/C=C/c1nc2cnc3ccccc3c2[nH]1)c1ccccc1 ZINC000586924654 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 ZINC000586924655 EH Annotated Mild N#Cc1cc(Cl)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1 ZINC000586924656 EH Annotated Mild CS(=O)(=O)/C=C/c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586925043 EH Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc3ncccc3c2[nH]1)c1ccccc1 ZINC000586925227 EH Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc3ncccc3c2[nH]1)c1ccccc1 ZINC000586925230 EH Annotated Anodyne Cc1nccc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc12 ZINC000586926275 EH Annotated Unstable Cc1cnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586926481 EH Annotated Unstable Cc1cncc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586926694 EH Annotated Unstable CCc1ccc(-c2nc3cccc(C#N)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926698 EH Annotated Unstable Cc1ccnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc12 ZINC000586926818 EH Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cccc(F)c3[nH]2)ccc1Cl ZINC000586926836 EH Annotated Unstable Cc1cncc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 ZINC000586926864 EH Annotated Unstable Cc1cc(-c2nc3nccc(Cl)c3[nH]2)ccc1S(=O)(=O)Cl ZINC000586926885 EH Annotated Unstable Cc1cc(-c2nc3cnc(Cl)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586926900 EH Annotated Unstable CCc1ccc(-c2nc3c(C)nc(C)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926978 EH Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cccc(O)c3[nH]2)ccc1Cl ZINC000586927057 EH Annotated Unstable Cc1nccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc12 ZINC000586927091 EH Annotated Unstable Cc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927224 EH Annotated Unstable Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2n1 ZINC000586927285 EH Annotated Unstable Cc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2n1 ZINC000586927348 EH Annotated Unstable Cc1cc(-c2nc3nc(Cl)ccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927568 EH Annotated Unstable Cc1cc(F)c2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c1 ZINC000586927788 EH Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cccc(O)c3[nH]2)cc1Cl ZINC000586927876 EH Annotated Unstable Cc1cc(-c2nc3c(F)cc(F)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927950 EH Annotated Unstable Cc1cnc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1 ZINC000586928019 EH Annotated Unstable Cc1cc(-c2nc3c(Cl)cncc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928183 EH Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cccc(F)c3[nH]2)cc1Cl ZINC000586928272 EH Annotated Unstable Cc1cc(-c2nc3c(Cl)nccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928396 EH Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccnc3[nH]2)c1Cl ZINC000586928919 EH Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cnccc3[nH]2)c1Cl ZINC000586929587 EH Annotated Unstable CCCCS(=O)(=O)N[C@H](c1nc2c(C)ccc(C)c2[nH]1)C(C)C ZINC000586932573 EH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(C)ccc(C)c2[nH]1)C(C)C ZINC000586932576 EH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C)c(C)cc2[nH]1)C(C)C ZINC000586932862 EH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)c(C)cc2[nH]1)C(C)C ZINC000586932863 EH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(Cl)cc2[nH]1)C(C)C ZINC000586932884 EH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Cl)cc2[nH]1)C(C)C ZINC000586932885 EH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(C)c(C)c2[nH]1)C(C)C ZINC000586933151 EH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C)c(C)c2[nH]1)C(C)C ZINC000586933152 EH Annotated Anodyne C=CCc1cccc2nc([C@@H](NS(=O)(=O)CCCC)C(C)C)[nH]c12 ZINC000586933262 EH Annotated Mild C=CCc1cccc2nc([C@H](NS(=O)(=O)CCCC)C(C)C)[nH]c12 ZINC000586933263 EH Annotated Mild CCCCS(=O)(=O)N[C@H](c1nc2ccc(CC)cc2[nH]1)C(C)C ZINC000586933493 EH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(CC)cc2[nH]1)C(C)C ZINC000586933494 EH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(Cl)c2[nH]1)C(C)C ZINC000586933641 EH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(Cl)c2[nH]1)C(C)C ZINC000586933643 EH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C)cc(C)c2[nH]1)C(C)C ZINC000586933690 EH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)cc(C)c2[nH]1)C(C)C ZINC000586933691 EH Annotated Anodyne Cc1cc(F)c2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2c1 ZINC000586947746 EH Annotated Anodyne Cc1c(F)ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 ZINC000586948061 EH Annotated Anodyne Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1C ZINC000586950540 EH Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 ZINC000586950812 EH Annotated Anodyne Cc1cc(C)c2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2c1 ZINC000586950837 EH Annotated Anodyne Cc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br ZINC000586957899 EH Annotated Anodyne CC(C)(SCc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)O ZINC000586957904 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586957941 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586957988 EH Annotated Anodyne Cc1c(Br)ccc2nc(CSC(C)(C)C(=O)O)[nH]c12 ZINC000586958008 EH Annotated Anodyne O=[S@](Cc1nc2cccnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958199 EH Annotated Anodyne O=[S@@](Cc1nc2cccnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958200 EH Annotated Anodyne CC(C)(SCc1nc2cc(F)cc(Br)c2[nH]1)C(=O)O ZINC000586958472 EH Annotated Anodyne O=[S@](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)CC1CC1 ZINC000586958757 EH Annotated Anodyne O=[S@@](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)CC1CC1 ZINC000586958767 EH Annotated Anodyne O=[S@](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)CC1CC1 ZINC000586958907 EH Annotated Anodyne O=[S@@](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)CC1CC1 ZINC000586958909 EH Annotated Anodyne Cc1c(Br)cc2nc(C[S@@](=O)CC3CC3)[nH]c2c1C ZINC000586958910 EH Annotated Anodyne Cc1c(Br)cc2nc(C[S@](=O)CC3CC3)[nH]c2c1C ZINC000586958915 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(CSC(C)(C)C(=O)O)nc2c1 ZINC000586958917 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586959112 EH Annotated Anodyne O=[S@@](Cc1nc2cc(Cl)cc(Br)c2[nH]1)CC1CC1 ZINC000586959164 EH Annotated Anodyne O=[S@](Cc1nc2cc(Cl)cc(Br)c2[nH]1)CC1CC1 ZINC000586959167 EH Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)CC1CC1 ZINC000586959212 EH Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)CC1CC1 ZINC000586959213 EH Annotated Anodyne Cc1cc(Br)cc2nc(CSC(C)(C)C(=O)O)[nH]c12 ZINC000586959244 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586959292 EH Annotated Anodyne CC(C)(SCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(=O)O ZINC000586959332 EH Annotated Mild CC(C)(SCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000586959399 EH Annotated Anodyne CC(C)(SCc1nc2cc(Br)c(F)cc2[nH]1)C(=O)O ZINC000586959402 EH Annotated Anodyne Cc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br ZINC000586959407 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586959591 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586959615 EH Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)CC1CC1 ZINC000586959616 EH Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)CC1CC1 ZINC000586959618 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(C(C)(C)SCC(=O)O)nc2c1 ZINC000586959630 EH Annotated Anodyne CC(C)(SCc1nc2ccc(Br)c(F)c2[nH]1)C(=O)O ZINC000586959735 EH Annotated Anodyne Cc1cc(Br)cc2nc(C(C)(C)SCC(=O)O)[nH]c12 ZINC000586960093 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586960143 EH Annotated Anodyne CC(C)(SCc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)O ZINC000586960144 EH Annotated Anodyne CC(C)(SCc1nc2ccc(F)c(Br)c2[nH]1)C(=O)O ZINC000586960146 EH Annotated Anodyne CC(C)(SCc1nc2cc(Br)cc(F)c2[nH]1)C(=O)O ZINC000586960177 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586960271 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586960274 EH Annotated Anodyne O=[S@](Cc1nc2cnccc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960329 EH Annotated Anodyne O=[S@@](Cc1nc2cnccc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960330 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586960575 EH Annotated Anodyne Cc1c(Br)ccc2nc(C(C)(C)SCC(=O)O)[nH]c12 ZINC000586960579 EH Annotated Anodyne Nc1ccc(Oc2ccc3nc(C[S@@](=O)CC4CC4)[nH]c3c2)cc1 ZINC000586960581 EH Annotated Clean Nc1ccc(Oc2ccc3nc(C[S@](=O)CC4CC4)[nH]c3c2)cc1 ZINC000586960583 EH Annotated Clean O=[S@@](Cc1nc2cc(Br)cc(Cl)c2[nH]1)CC1CC1 ZINC000586960623 EH Annotated Anodyne O=[S@](Cc1nc2cc(Br)cc(Cl)c2[nH]1)CC1CC1 ZINC000586960624 EH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586960683 EH Annotated Anodyne CC(C)(SCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)O ZINC000586960710 EH Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586960854 EH Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586960856 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586960903 EH Annotated Bother C[C@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586960904 EH Annotated Bother C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3ccccc3cc2[nH]1 ZINC000586961012 EH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3ccccc3cc2[nH]1 ZINC000586961018 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586961303 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586961304 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586961337 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586961338 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2n1 ZINC000586961370 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2n1 ZINC000586961371 EH Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586961372 EH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586961373 EH Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cn1 ZINC000586961548 EH Annotated Anodyne COC(=O)c1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cn1 ZINC000586961550 EH Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586961571 EH Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586961577 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586961674 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586961675 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586961726 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586961731 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cccc(Br)c2[nH]1 ZINC000586962153 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cccc(Br)c2[nH]1 ZINC000586962158 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586962259 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586962261 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586962292 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586962293 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586962355 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586962356 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)SCc3ccccc3)nc12 ZINC000586962462 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)SCc3ccccc3)nc12 ZINC000586962464 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586962468 EH Annotated Bother CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586962469 EH Annotated Bother CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586962566 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586962567 EH Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586962582 EH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586962583 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586962677 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586962679 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Sc3ncccn3)nc2c1 ZINC000586962982 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Sc3ncccn3)nc2c1 ZINC000586962983 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(Br)cc2[nH]1 ZINC000586963021 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(Br)cc2[nH]1 ZINC000586963022 EH Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586963047 EH Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586963048 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586963085 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586963086 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586963095 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586963096 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586963155 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586963156 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586963256 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586963257 EH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586963294 EH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586963295 EH Annotated Anodyne Cc1ccc(SCc2nc3nc(Br)c[nH]c-3n2)c(C)c1 ZINC000586963326 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586963381 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586963382 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C)nc(C)cc2[nH]1 ZINC000586963399 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C)nc(C)cc2[nH]1 ZINC000586963400 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586963440 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586963441 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(OC)c2[nH]1 ZINC000586963640 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(OC)c2[nH]1 ZINC000586963643 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586963653 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586963654 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cncc(Cl)c2[nH]1 ZINC000586963907 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cncc(Cl)c2[nH]1 ZINC000586963908 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(F)cc2[nH]1 ZINC000586964038 EH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(F)cc2[nH]1 ZINC000586964039 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586964074 EH Annotated Bother CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586964075 EH Annotated Bother CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(C)cc2[nH]1 ZINC000586964324 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(C)cc2[nH]1 ZINC000586964326 EH Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(Br)cnc2[nH]1 ZINC000586964345 EH Annotated Mild N#Cc1ccccc1SCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586964354 EH Annotated Mild CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586964410 EH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586964411 EH Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3ccccc3C#N)nc2c1 ZINC000586964425 EH Annotated Mild N#Cc1ccccc1SCc1nc2ccc(Br)nc2[nH]1 ZINC000586964470 EH Annotated Mild N#Cc1ccccc1SCc1nc2ccnc(Br)c2[nH]1 ZINC000586964474 EH Annotated Mild N#Cc1ccccc1SCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586964485 EH Annotated Mild CCOC(=O)c1ccc2nc(CSc3ccccc3C#N)[nH]c2c1 ZINC000586964582 EH Annotated Mild Cc1ccc(SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)c1 ZINC000586964623 EH Annotated Anodyne N#Cc1ccccc1SCc1nc2cncc(Br)c2[nH]1 ZINC000586964676 EH Annotated Mild COC(=O)c1cc2nc(CSc3ccc(C)cc3C)[nH]c2cn1 ZINC000586964841 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3ccc(C)cc3C)nc12 ZINC000586964882 EH Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(Br)ncc2[nH]1 ZINC000586964945 EH Annotated Mild COC(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2n1 ZINC000586965141 EH Annotated Anodyne Cc1ccc(SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)c1 ZINC000586965143 EH Annotated Anodyne N#Cc1ccccc1SCc1nc2c(Br)ccnc2[nH]1 ZINC000586965151 EH Annotated Mild N#Cc1ccccc1SCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586965152 EH Annotated Mild N#Cc1ccccc1SCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586965166 EH Annotated Mild N#Cc1ccccc1SCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586965172 EH Annotated Mild N#Cc1ccccc1SCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586965454 EH Annotated Mild Cc1ccc(SCc2nc3c(S)nc(S)nc3[nH]2)c(C)c1 ZINC000586965458 EH Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Cl)cc(F)c3[nH]2)n1 ZINC000586966178 EH Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc4c(c3[nH]2)CCCC4)n1 ZINC000586966230 EH Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(SC)cc3[nH]2)n1 ZINC000586966283 EH Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Cl)c(F)cc3[nH]2)n1 ZINC000586966310 EH Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(F)cc(Cl)cc2[nH]1 ZINC000586966347 EH Annotated Anodyne Cc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Cl ZINC000586966351 EH Annotated Anodyne CCc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966355 EH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586966637 EH Annotated Anodyne Cc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Cl ZINC000586966646 EH Annotated Anodyne Fc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1F ZINC000586966655 EH Annotated Anodyne Cc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1C ZINC000586966656 EH Annotated Anodyne Cc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1F ZINC000586966658 EH Annotated Anodyne Cc1c(F)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966731 EH Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3ncccc3C(=O)O)[nH]c12 ZINC000586966758 EH Annotated Anodyne C=CCc1cccc2nc(CSc3nc(O)cc(CC)n3)[nH]c12 ZINC000586966867 EH Annotated Mild Cc1cc(F)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586966907 EH Annotated Anodyne Cc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1C ZINC000586966952 EH Annotated Anodyne Clc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966957 EH Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(Cl)c(C)c3[nH]2)n1 ZINC000586966980 EH Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C)c(Cl)cc3[nH]2)n1 ZINC000586967008 EH Annotated Anodyne Cc1cc(C)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967011 EH Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000586967020 EH Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(C(C)(C)C)nc3[nH]2)n1 ZINC000586967111 EH Annotated Anodyne Cc1ccc(C)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586967279 EH Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Cl)cc(C)c3[nH]2)n1 ZINC000586967281 EH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586967289 EH Annotated Anodyne Fc1cc(F)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967401 EH Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3ncccc3C(=O)O)[nH]c12 ZINC000586967407 EH Annotated Anodyne Fc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1F ZINC000586967425 EH Annotated Anodyne COc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Cl ZINC000586967433 EH Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3cccnc3SCC(=O)O)nc12 ZINC000586967435 EH Annotated Anodyne Clc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586967442 EH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586967635 EH Annotated Anodyne C=CCc1cccc2nc(CSc3ncccc3C(=O)O)[nH]c12 ZINC000586967800 EH Annotated Mild CC(C)(C)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2n1 ZINC000586967803 EH Annotated Anodyne CSCC(C)(C)c1nc2cccc(I)c2[nH]1 ZINC000586968324 EH Annotated Anodyne C=CCc1cccc2[nH]c(-c3cccnc3SCC(=O)O)nc12 ZINC000586968493 EH Annotated Mild [O-][n+]1ccccc1SCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586968560 EH Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c3c(ccc2[nH]1)CCCC3 ZINC000586968619 EH Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586968696 EH Annotated Anodyne CSc1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586968875 EH Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586969131 EH Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586969428 EH Annotated Anodyne CSCC(C)(C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586969472 EH Annotated Bother CSCC(C)(C)c1nc2ccc(I)cc2[nH]1 ZINC000586969677 EH Annotated Anodyne CSCC(C)(C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586969697 EH Annotated Anodyne CSCC(C)(C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586969735 EH Annotated Bother [O-][n+]1ccccc1SCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586969894 EH Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586970114 EH Annotated Anodyne CCCC(Br)(CCC)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586970198 EH Annotated Anodyne Cc1ccc(CSCCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000586970228 EH Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586970235 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCSCc3ccc(C)cc3)nc12 ZINC000586970259 EH Annotated Anodyne Cc1ccc(CSCCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586970277 EH Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586970346 EH Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586970349 EH Annotated Reactive Cc1ccc(CSCCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586970471 EH Annotated Bother CCCC(Br)(CCC)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586970490 EH Annotated Anodyne COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1C ZINC000586970557 EH Annotated Reactive COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1C ZINC000586970565 EH Annotated Reactive COC(C)(C)[C@H](Br)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586970645 EH Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586970652 EH Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586970814 EH Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586970816 EH Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586971216 EH Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586971222 EH Annotated Reactive COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1F ZINC000586971236 EH Annotated Reactive COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1F ZINC000586971242 EH Annotated Reactive COC(=O)c1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cn1 ZINC000586971261 EH Annotated Anodyne COC(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2n1 ZINC000586971460 EH Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586971702 EH Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586971703 EH Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586971736 EH Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586971741 EH Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc3ncccc3c2[nH]1 ZINC000586971778 EH Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc3ncccc3c2[nH]1 ZINC000586971779 EH Annotated Reactive Cc1ccc(CSCCc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586971817 EH Annotated Anodyne Cc1ccc(CSCCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586971845 EH Annotated Bother COC(C)(C)[C@H](Br)c1nc2cnc3ccccc3c2[nH]1 ZINC000586971847 EH Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cnc3ccccc3c2[nH]1 ZINC000586971848 EH Annotated Reactive Cc1nc2[nH]c(CCCCBr)nc2cc1Br ZINC000586971886 EH Annotated Reactive Oc1c(Br)ccc2nc(CCCCBr)[nH]c12 ZINC000586971917 EH Annotated Reactive O=[N+]([O-])c1cc2nc(CCCCBr)[nH]c2cc1Cl ZINC000586972163 EH Annotated Reactive Cc1c(Br)cnc2[nH]c(CCCCBr)nc12 ZINC000586972286 EH Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cncnc2[nH]1 ZINC000586972307 EH Annotated Bother N#Cc1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 ZINC000586972362 EH Annotated Reactive N#Cc1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 ZINC000586972363 EH Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c(CCCCBr)nc2c1 ZINC000586972462 EH Annotated Reactive FC(F)(F)C(F)(F)c1cc2nc(CBr)[nH]c2cn1 ZINC000586972483 EH Annotated Reactive Fc1cc2[nH]c(CCCCBr)nc2cc1-n1cccn1 ZINC000586972520 EH Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnncc2[nH]1 ZINC000586972521 EH Annotated Bother Fc1c(F)c(F)c2[nH]c(CCCCBr)nc2c1F ZINC000586972592 EH Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C)cc2[nH]1 ZINC000586972654 EH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C)cc2[nH]1 ZINC000586972655 EH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(F)c2[nH]1 ZINC000586972665 EH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(F)c2[nH]1 ZINC000586972668 EH Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(=N)[nH]cc2[nH]1 ZINC000586972684 EH Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ncc[nH]c-2n1 ZINC000586972700 EH Annotated Bother Fc1cc(Br)cc2nc(/C=C/CBr)[nH]c12 ZINC000586972757 EH Annotated Reactive Fc1cc(Br)cc2nc(/C=C\CBr)[nH]c12 ZINC000586972758 EH Annotated Reactive Fc1c(Br)ccc2nc(/C=C/CBr)[nH]c12 ZINC000586973015 EH Annotated Reactive Fc1c(Br)ccc2nc(/C=C\CBr)[nH]c12 ZINC000586973016 EH Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000586973142 EH Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000586973143 EH Annotated Reactive Fc1ccc2nc(/C=C/CBr)[nH]c2c1Br ZINC000586973399 EH Annotated Reactive Fc1ccc2nc(/C=C\CBr)[nH]c2c1Br ZINC000586973400 EH Annotated Reactive Nc1ccc(-c2ccc3nc(/C=C/CBr)[nH]c3c2)cc1N ZINC000586973401 EH Annotated Reactive Nc1ccc(-c2ccc3nc(/C=C\CBr)[nH]c3c2)cc1N ZINC000586973402 EH Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(N)ccnc2[nH]1 ZINC000586973442 EH Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc[nH]c(=N)c2[nH]1 ZINC000586973468 EH Annotated Bother N#Cc1cc2nc(/C=C/CBr)[nH]c2cc1C(F)(F)F ZINC000586973716 EH Annotated Reactive N#Cc1cc2nc(/C=C\CBr)[nH]c2cc1C(F)(F)F ZINC000586973717 EH Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586973796 EH Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586973797 EH Annotated Reactive Fc1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 ZINC000586973805 EH Annotated Reactive Fc1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 ZINC000586973806 EH Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000586974290 EH Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000586974291 EH Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccnc(O)c2[nH]1 ZINC000586974598 EH Annotated Bother Fc1cc2[nH]c(/C=C/CBr)nc2cc1Br ZINC000586974747 EH Annotated Reactive Fc1cc2[nH]c(/C=C\CBr)nc2cc1Br ZINC000586974748 EH Annotated Reactive COc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cn1 ZINC000586975395 EH Annotated Anodyne Cc1cc(Cc2nc3cccc(C(=O)O)c3[nH]2)ccc1Br ZINC000586975877 EH Annotated Anodyne COc1cc(/C=C/c2nc3ccnc(O)c3[nH]2)ccc1Br ZINC000586975900 EH Annotated Anodyne COc1cc(/C=C\c2nc3ccnc(O)c3[nH]2)ccc1Br ZINC000586975901 EH Annotated Anodyne COc1cc(/C=C/c2nc3cnccc3[nH]2)ccc1Br ZINC000586975977 EH Annotated Anodyne COc1cc(/C=C\c2nc3cnccc3[nH]2)ccc1Br ZINC000586975979 EH Annotated Anodyne Clc1ccc(OCc2nc3cnccc3[nH]2)c(Br)c1 ZINC000586976180 EH Annotated Anodyne Cc1cc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586976395 EH Annotated Bother Cc1cc(Cc2nc3ccc(CO)cc3[nH]2)ccc1Br ZINC000586976397 EH Annotated Anodyne Cc1cc(Cc2nc3c(Cl)ncnc3[nH]2)ccc1Br ZINC000586976405 EH Annotated Anodyne COc1cc(/C=C\c2nc3cccnc3[nH]2)ccc1Br ZINC000586976606 EH Annotated Anodyne COc1cc(/C=C/c2nc3cccnc3[nH]2)ccc1Br ZINC000586976610 EH Annotated Anodyne CCc1ccc(-c2nc3cncc(OC)c3[nH]2)cc1Br ZINC000586976846 EH Annotated Anodyne CCc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1Br ZINC000586976869 EH Annotated Bother COc1nccc2nc(Cc3ccc(Br)c(C)c3)[nH]c12 ZINC000586976995 EH Annotated Anodyne Cc1cc(Cc2nc3ccc(C(=O)O)cc3[nH]2)ccc1Br ZINC000586977002 EH Annotated Anodyne COc1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2n1 ZINC000586977154 EH Annotated Anodyne Cc1cc(Cc2nc3ccc(CCO)cc3[nH]2)ccc1Br ZINC000586977165 EH Annotated Anodyne CCc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1Br ZINC000586977368 EH Annotated Anodyne CCc1ccc(-c2nc3ccnc(OC)c3[nH]2)cc1Br ZINC000586977387 EH Annotated Anodyne Cc1cc(Cc2nc3nc(Cl)c[nH]c-3n2)ccc1Br ZINC000586977438 EH Annotated Anodyne Cc1cc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1Br ZINC000586977546 EH Annotated Bother Cc1cc(Cc2nc3cc4c(cc3[nH]2)OCO4)ccc1Br ZINC000586977562 EH Annotated Anodyne COc1cncc2nc(Cc3ccc(Br)c(C)c3)[nH]c12 ZINC000586977821 EH Annotated Anodyne Cc1cc(Cc2nc3cnc(Cl)[nH]c-3n2)ccc1Br ZINC000586978092 EH Annotated Anodyne CCc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1Br ZINC000586978249 EH Annotated Anodyne Cc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1F ZINC000586978742 EH Annotated Anodyne COc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1C ZINC000586978767 EH Annotated Anodyne CCc1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 ZINC000586978836 EH Annotated Anodyne Cc1nn(Cc2nc3cccc(Cl)c3[nH]2)c(C)c1Br ZINC000586978847 EH Annotated Anodyne Cc1nn(Cc2nc3ccc(F)c(C)c3[nH]2)c(C)c1Br ZINC000586978850 EH Annotated Anodyne Cc1ncc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(C)c1Br ZINC000586978873 EH Annotated Anodyne OCc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 ZINC000586978877 EH Annotated Anodyne Cc1ncc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)c1Br ZINC000586978916 EH Annotated Bother Fc1cnc2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586978944 EH Annotated Anodyne C=CCc1cccc2nc(Cn3nc(C)c(Br)c3C)[nH]c12 ZINC000586978998 EH Annotated Mild Cc1ncc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1Br ZINC000586979130 EH Annotated Bother Cc1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1C ZINC000586979138 EH Annotated Anodyne Cc1nn(Cc2nc3c(C)ccc(C)c3[nH]2)c(C)c1Br ZINC000586979185 EH Annotated Anodyne Cc1nn(Cc2nc3ccc(Cl)cc3[nH]2)c(C)c1Br ZINC000586979194 EH Annotated Anodyne N#Cc1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979222 EH Annotated Mild Cc1cc(F)c2[nH]c(Cn3nc(C)c(Br)c3C)nc2c1 ZINC000586979260 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Cl)cc3[nH]2)c1Br ZINC000586979319 EH Annotated Anodyne Cc1ncc(-c2nc3ccc(CCO)cc3[nH]2)c(C)c1Br ZINC000586979392 EH Annotated Anodyne Cc1cc(C)c2[nH]c(Cn3nc(C)c(Br)c3C)nc2c1 ZINC000586979406 EH Annotated Anodyne Clc1nccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1Br ZINC000586979512 EH Annotated Anodyne Cc1ncc(-c2nc3ccc(C#N)cc3[nH]2)c(C)c1Br ZINC000586979517 EH Annotated Mild Cc1ncc(-c2nc3cccc(C#N)c3[nH]2)c(C)c1Br ZINC000586979524 EH Annotated Mild Cc1ncc(-c2nc3cccc(C(=O)O)c3[nH]2)c(C)c1Br ZINC000586979553 EH Annotated Anodyne N#Cc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 ZINC000586979609 EH Annotated Mild Cc1cnc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 ZINC000586979618 EH Annotated Bother Cc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2n1 ZINC000586979644 EH Annotated Bother CCOc1n[nH]c(-c2nc3cc(C)c(C)cc3[nH]2)c1Br ZINC000586979726 EH Annotated Anodyne Cc1c(-c2nc3c(C)ccnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979748 EH Annotated Bother Cc1ncc(-c2nc3cc4c(cc3[nH]2)OCO4)c(C)c1Br ZINC000586979836 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C)cc(F)c3[nH]2)c1Br ZINC000586979953 EH Annotated Anodyne Cc1c(-c2nc3cccnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980025 EH Annotated Bother CCOc1n[nH]c(-c2nc3ccc(C)c(C)c3[nH]2)c1Br ZINC000586980200 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(CC)cc3[nH]2)c1Br ZINC000586980203 EH Annotated Anodyne Cc1c(-c2nc3cnccc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980212 EH Annotated Bother Cc1c(-c2nc3c(C)nccc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980246 EH Annotated Bother Cc1c(-c2nc3cncc(C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980337 EH Annotated Bother CCOc1n[nH]c(-c2nc3cc(C)cc(C)c3[nH]2)c1Br ZINC000586980339 EH Annotated Anodyne Cc1c(-c2nc3cccc(O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980371 EH Annotated Bother C=CCc1cccc2nc(-c3[nH]nc(OCC)c3Br)[nH]c12 ZINC000586980441 EH Annotated Mild CCOc1n[nH]c(-c2nc3c(C)ccc(C)c3[nH]2)c1Br ZINC000586980443 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C)c(F)cc3[nH]2)c1Br ZINC000586980446 EH Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cccc(O)c2[nH]1 ZINC000586980680 EH Annotated Anodyne COc1ccc2nc(COc3ccc(Br)cc3C)[nH]c2n1 ZINC000586980687 EH Annotated Anodyne COc1nccc2nc(COc3ccc(Br)cc3C)[nH]c12 ZINC000586980694 EH Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cncc(C)c2[nH]1 ZINC000586980859 EH Annotated Anodyne Cc1ccc2nc(COc3ccc(Br)cc3C)[nH]c2n1 ZINC000586980871 EH Annotated Anodyne COc1cncc2nc(COc3ccc(Br)cc3C)[nH]c12 ZINC000586980990 EH Annotated Anodyne COc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cn1 ZINC000586981048 EH Annotated Anodyne Cc1cnc2[nH]c(COc3ccc(Br)cc3C)nc2c1 ZINC000586981164 EH Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(O)cc2[nH]1 ZINC000586981255 EH Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(CO)cc2[nH]1 ZINC000586981263 EH Annotated Anodyne N#Cc1cccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 ZINC000586981382 EH Annotated Mild O=Cc1cc(Br)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000586981417 EH Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(C)nccc2[nH]1 ZINC000586981490 EH Annotated Anodyne N#Cc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 ZINC000586981520 EH Annotated Mild Cc1cc(Br)ccc1OCc1nc2cc(F)cnc2[nH]1 ZINC000586981569 EH Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(C)ccnc2[nH]1 ZINC000586981581 EH Annotated Anodyne COc1cccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 ZINC000586982180 EH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000586982228 EH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000586982263 EH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000586982284 EH Annotated Bother O=Cc1cc(Br)cc(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000586982530 EH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 ZINC000586982548 EH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000586982724 EH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000586982749 EH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000586982867 EH Annotated Anodyne Cc1cc2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c(C)n1 ZINC000586983178 EH Annotated Anodyne COc1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983277 EH Annotated Anodyne COc1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983279 EH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000586983294 EH Annotated Anodyne COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1F ZINC000586983379 EH Annotated Anodyne Cc1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983623 EH Annotated Anodyne Cc1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983624 EH Annotated Anodyne Cc1cc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c(C)n1 ZINC000586983850 EH Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c(C)n1 ZINC000586983851 EH Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cccc(F)c2[nH]1 ZINC000586983900 EH Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(F)c2[nH]1 ZINC000586983903 EH Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(F)cc2[nH]1 ZINC000586983916 EH Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(F)cc2[nH]1 ZINC000586983918 EH Annotated Anodyne Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984468 EH Annotated Anodyne Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984469 EH Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)C(F)F)nc3ccc(O)c1c23 ZINC000586985407 EH Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1C ZINC000586986287 EH Annotated Anodyne Cc1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1C ZINC000586986471 EH Annotated Anodyne Nc1ncccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986497 EH Annotated Anodyne Cc1c(-c2cnn(C)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986832 EH Annotated Anodyne Cc1cnn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586986865 EH Annotated Anodyne Cc1c(-c2nccn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986893 EH Annotated Anodyne Cn1cncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986902 EH Annotated Anodyne Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nn1C ZINC000586986907 EH Annotated Anodyne Cc1c(-c2ccnn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986928 EH Annotated Anodyne Cn1ccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986994 EH Annotated Anodyne Cc1ccnn1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987049 EH Annotated Anodyne CN(C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987129 EH Annotated Anodyne CN(C)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987131 EH Annotated Anodyne Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000586987200 EH Annotated Anodyne Cn1nccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987203 EH Annotated Anodyne O=C1c2ccccc2-c2cc(CCn3cccn3)nc3ccc(O)c1c23 ZINC000586987295 EH Annotated Anodyne Nc1cccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987331 EH Annotated Anodyne CCN(CC)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987346 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncccc3O)nc3ccc(O)c1c23 ZINC000586987394 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccnc(O)c3)nc3ccc(O)c1c23 ZINC000586987477 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncccn3)nc3ccc(O)c1c23 ZINC000586987511 EH Annotated Anodyne N=c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c[nH]1 ZINC000586987565 EH Annotated Anodyne Cc1c(-c2cnccn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987566 EH Annotated Anodyne Cn1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586987580 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]([N+](=O)[O-])CCC3 ZINC000586987629 EH Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]([N+](=O)[O-])CCC3 ZINC000586987631 EH Annotated Bother Cc1c(-c2ccn(C)n2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987704 EH Annotated Anodyne Nc1cnccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987726 EH Annotated Anodyne Cc1nn(C)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987741 EH Annotated Anodyne CN1[C@H]2CC[C@H]1c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586987770 EH Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3cnccn3)nc3ccc(O)c1c23 ZINC000586987805 EH Annotated Anodyne Cc1c(-c2cncn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987860 EH Annotated Anodyne N=c1cc[nH]cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987885 EH Annotated Anodyne Cc1ccn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586987934 EH Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ncccn3)nc3ccc(O)c1c23 ZINC000586987953 EH Annotated Anodyne Cc1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000586987973 EH Annotated Anodyne Cc1nccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586987978 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccncc3O)nc3ccc(O)c1c23 ZINC000586987987 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cncnc3)nc3ccc(O)c1c23 ZINC000586987995 EH Annotated Anodyne Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n(C)n1 ZINC000586988068 EH Annotated Anodyne N=c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc[nH]1 ZINC000586988069 EH Annotated Anodyne CCN1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586988127 EH Annotated Anodyne CN(C)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988166 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccncn3)nc3ccc(O)c1c23 ZINC000586988224 EH Annotated Anodyne Cc1nccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988235 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)cn3)nc3ccc(O)c1c23 ZINC000586988260 EH Annotated Anodyne Cc1ncncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988341 EH Annotated Anodyne CN1CCC(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000586988398 EH Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCN(C)C)-c1ccccc1C3=O ZINC000586988548 EH Annotated Anodyne CC(C)N1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586988628 EH Annotated Anodyne CN1CCC[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586988667 EH Annotated Anodyne CN1CCC[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586988668 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnccn3)nc3ccc(O)c1c23 ZINC000586988692 EH Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCCN(C)C)-c1ccccc1C3=O ZINC000586988781 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncc(F)cn3)nc3ccc(O)c1c23 ZINC000586988805 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cncn1CC3 ZINC000586988853 EH Annotated Anodyne CN1CCC(c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)CC1 ZINC000586988859 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)nc3)nc3ccc(O)c1c23 ZINC000586988884 EH Annotated Anodyne Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ncn1 ZINC000586988890 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccnc3O)nc3ccc(O)c1c23 ZINC000586988907 EH Annotated Anodyne CC(=O)[C@@H](N=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988994 EH Annotated Anodyne CC(=O)[C@H](N=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988995 EH Annotated Anodyne CCOC(=O)[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989168 EH Annotated Anodyne CCOC(=O)[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989169 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CC[C@@H](C3)N1 ZINC000586989186 EH Annotated Anodyne CC(C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989201 EH Annotated Anodyne Cc1c([C@@H]2CCCNC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989207 EH Annotated Anodyne Cc1c([C@H]2CCCNC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989208 EH Annotated Anodyne CCOC(=O)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586989228 EH Annotated Anodyne CCOC(=O)Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989319 EH Annotated Anodyne COC(C)(OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989359 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1n[nH]cc1CC3 ZINC000586989372 EH Annotated Anodyne CCOC(=O)Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586989419 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccnn3)nc3ccc(O)c1c23 ZINC000586989459 EH Annotated Anodyne CCCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989484 EH Annotated Anodyne CCOC(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989495 EH Annotated Anodyne C#C[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586989505 EH Annotated Mild C#C[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586989508 EH Annotated Mild C#C[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586989587 EH Annotated Mild C#C[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586989588 EH Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CCCN1CC3 ZINC000586989639 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CCCN1CC3 ZINC000586989640 EH Annotated Anodyne Cc1n[nH]cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989669 EH Annotated Anodyne CCOC(=O)c1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O ZINC000586989684 EH Annotated Anodyne O=C(O)C[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989710 EH Annotated Anodyne O=C(O)C[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989711 EH Annotated Anodyne C[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989725 EH Annotated Anodyne C[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586989726 EH Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H]3CCCCN3)nc3ccc(O)c1c23 ZINC000586989812 EH Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3CCCCN3)nc3ccc(O)c1c23 ZINC000586989814 EH Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](C)C(=O)O)-c1ccccc1C3=O ZINC000586989817 EH Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](C)C(=O)O)-c1ccccc1C3=O ZINC000586989818 EH Annotated Anodyne CC(=O)O[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989855 EH Annotated Anodyne CC(=O)O[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989858 EH Annotated Anodyne C[C@@]12CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]1O2 ZINC000586989934 EH Annotated Anodyne C[C@@]12CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]1O2 ZINC000586989935 EH Annotated Anodyne C[C@]12CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]1O2 ZINC000586989936 EH Annotated Anodyne C[C@]12CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]1O2 ZINC000586989937 EH Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H]3CCCO3)nc3ccc(O)c1c23 ZINC000586989944 EH Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H]3CCCO3)nc3ccc(O)c1c23 ZINC000586989945 EH Annotated Anodyne CC1(C)c2nc3ccc(O)c4c3c(c2CC[C@@H]1O)-c1ccccc1C4=O ZINC000586989953 EH Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H]1CCOC1)-c1ccccc1C3=O ZINC000586989957 EH Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H]1CCOC1)-c1ccccc1C3=O ZINC000586989963 EH Annotated Anodyne O=C(O)C[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989967 EH Annotated Anodyne O=C(O)C[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586989968 EH Annotated Anodyne Cc1c(C2CCNCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989981 EH Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H]3CCCCN3)nc3ccc(O)c1c23 ZINC000586989998 EH Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H]3CCCCN3)nc3ccc(O)c1c23 ZINC000586990000 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccnnc3)nc3ccc(O)c1c23 ZINC000586990015 EH Annotated Anodyne CCC1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)COC1 ZINC000586990028 EH Annotated Anodyne Cc1nonc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990032 EH Annotated Anodyne Cc1c(-c2cn[nH]c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990049 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c[nH]nc1CC3 ZINC000586990080 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CC(=O)[C@H]3C1 ZINC000586990101 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CC(=O)[C@@H]3C1 ZINC000586990105 EH Annotated Anodyne C[C@H]1C(=O)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990178 EH Annotated Anodyne C[C@@H]1C(=O)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990180 EH Annotated Anodyne COC(=O)[C@H](C)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990310 EH Annotated Anodyne COC(=O)[C@@H](C)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990312 EH Annotated Anodyne C[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1=O ZINC000586990314 EH Annotated Anodyne C[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1=O ZINC000586990317 EH Annotated Anodyne COC(=O)[C@@H](C)c1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990329 EH Annotated Anodyne COC(=O)[C@H](C)c1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990332 EH Annotated Anodyne Cc1c[nH]c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586990458 EH Annotated Anodyne O=C(O)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990470 EH Annotated Anodyne CC1(C)c2nc3ccc(O)c4c3c(c2[C@H]1C(=O)O)-c1ccccc1C4=O ZINC000586990582 EH Annotated Anodyne CC1(C)c2nc3ccc(O)c4c3c(c2[C@@H]1C(=O)O)-c1ccccc1C4=O ZINC000586990584 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN1CCC3CC1 ZINC000586990596 EH Annotated Anodyne CC1(C)C(=O)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990600 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(COC1)C3 ZINC000586990645 EH Annotated Anodyne CC(C)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990766 EH Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3CCCC3=O)nc3ccc(O)c1c23 ZINC000586990787 EH Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H]3CCCC3=O)nc3ccc(O)c1c23 ZINC000586990789 EH Annotated Anodyne COC(=O)CCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990863 EH Annotated Anodyne C[C@@H](CC(=O)O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990927 EH Annotated Anodyne C[C@H](CC(=O)O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990930 EH Annotated Anodyne O=C(O)Cc1c(C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991072 EH Annotated Anodyne CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC1=O ZINC000586991099 EH Annotated Anodyne CC(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991109 EH Annotated Anodyne CC(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991110 EH Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)C3CC3)nc3ccc(O)c1c23 ZINC000586991189 EH Annotated Anodyne O=C1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2C1 ZINC000586991244 EH Annotated Anodyne O=C1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000586991246 EH Annotated Anodyne O=C1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000586991250 EH Annotated Anodyne O=C1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2C1)-c1ccccc1C5=O ZINC000586991252 EH Annotated Anodyne Cc1c(C(C)(C)C=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991254 EH Annotated Mild O=C1c2ccccc2-c2cc(C[C@H]3CCOC3)nc3ccc(O)c1c23 ZINC000586991485 EH Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H]3CCOC3)nc3ccc(O)c1c23 ZINC000586991487 EH Annotated Anodyne CC(C)c1c(C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991693 EH Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCCC(=O)O)-c1ccccc1C3=O ZINC000586991755 EH Annotated Anodyne CCC(=O)Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586991781 EH Annotated Anodyne O=C(O)CCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991842 EH Annotated Anodyne O=C1c2ccccc2-c2cc(C3(O)CCCC3)nc3ccc(O)c1c23 ZINC000586991888 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](CCO)CCC3 ZINC000586991909 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](CCO)CCC3 ZINC000586991913 EH Annotated Anodyne COC(=O)[C@H](C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586991962 EH Annotated Anodyne COC(=O)[C@@H](C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586991965 EH Annotated Anodyne COC(=O)/C=C(\C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991973 EH Annotated Anodyne CC[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1=O ZINC000586991988 EH Annotated Anodyne CC[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1=O ZINC000586991991 EH Annotated Anodyne C=CCO[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991999 EH Annotated Mild C=CCO[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992002 EH Annotated Mild CC[C@@H](C(=O)OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992099 EH Annotated Anodyne CC[C@H](C(=O)OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992101 EH Annotated Anodyne CC[C@H]1C(=O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992170 EH Annotated Anodyne CC[C@@H]1C(=O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992171 EH Annotated Anodyne O=C1CCCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586992196 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H]3C(=O)O ZINC000586992202 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H]3C(=O)O ZINC000586992203 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H]3CO ZINC000586992279 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H]3CO ZINC000586992280 EH Annotated Anodyne C[C@@H](O)CCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992302 EH Annotated Anodyne C[C@H](O)CCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992303 EH Annotated Anodyne CC1(C)Cc2nc3ccc(O)c4c3c(c2C[C@@H]1O)-c1ccccc1C4=O ZINC000586992424 EH Annotated Anodyne CC1(C)Cc2nc3ccc(O)c4c3c(c2C[C@H]1O)-c1ccccc1C4=O ZINC000586992425 EH Annotated Anodyne Cc1c(CC(=O)C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992436 EH Annotated Anodyne Cc1c(C2=NCCS2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992490 EH Annotated Anodyne C[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@@H]1O ZINC000586992852 EH Annotated Anodyne C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@@H]1O ZINC000586992853 EH Annotated Anodyne C[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@H]1O ZINC000586992854 EH Annotated Anodyne C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@H]1O ZINC000586992855 EH Annotated Anodyne O=C1c2ccccc2-c2c(C[C@H]3CCOC3)cnc3ccc(O)c1c23 ZINC000586992860 EH Annotated Anodyne O=C1c2ccccc2-c2c(C[C@@H]3CCOC3)cnc3ccc(O)c1c23 ZINC000586992861 EH Annotated Anodyne O=C1c2ccccc2-c2c(C[C@H]3CCCO3)cnc3ccc(O)c1c23 ZINC000586992867 EH Annotated Anodyne O=C1c2ccccc2-c2c(C[C@@H]3CCCO3)cnc3ccc(O)c1c23 ZINC000586992868 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1(CCOCC1)C3 ZINC000586992870 EH Annotated Anodyne Cc1c([C@@H]2CCOC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992871 EH Annotated Anodyne Cc1c([C@H]2CCOC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992872 EH Annotated Anodyne CO[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586993275 EH Annotated Anodyne CO[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586993276 EH Annotated Anodyne O=C1c2ccccc2-c2cc(C3=NCCS3)nc3ccc(O)c1c23 ZINC000586993284 EH Annotated Anodyne COC(=O)C(C)(C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993554 EH Annotated Anodyne CO[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586993647 EH Annotated Anodyne CO[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586993649 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnns3)nc3ccc(O)c1c23 ZINC000586993775 EH Annotated Anodyne N=c1[nH]c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cs1 ZINC000586993859 EH Annotated Anodyne CCSC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994503 EH Annotated Anodyne CC(=O)SCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994517 EH Annotated Anodyne N#Cc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586994765 EH Annotated Mild N#Cc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586994869 EH Annotated Mild Cc1ccc2c3c(cc([C@@]4(F)CCOC4=O)nc13)-c1ccccc1C2=O ZINC000586994990 EH Annotated Anodyne Cc1ccc2c3c(cc([C@]4(F)CCOC4=O)nc13)-c1ccccc1C2=O ZINC000586995004 EH Annotated Anodyne Cc1cncc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995340 EH Annotated Anodyne Oc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995733 EH Annotated Anodyne C/C(=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)NCCO ZINC000586995912 EH Annotated Anodyne C/C(=C\c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)NCCO ZINC000586995915 EH Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000586995929 EH Annotated Anodyne Cc1cnc2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586996019 EH Annotated Anodyne Cc1nccc2[nH]c(CCNc3ccc(Br)cc3)nc12 ZINC000586996043 EH Annotated Anodyne COc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586996213 EH Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586996274 EH Annotated Anodyne Fc1cnc2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586996299 EH Annotated Anodyne Cc1ccnc2[nH]c(CCNc3ccc(Br)cc3)nc12 ZINC000586996420 EH Annotated Anodyne Cc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2n1 ZINC000586996435 EH Annotated Anodyne N[C@H](Cc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996557 EH Annotated Anodyne COc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586996611 EH Annotated Anodyne Cc1cc2[nH]c(CCNc3ccc(Br)cc3)nc2c(C)n1 ZINC000586996614 EH Annotated Anodyne Cc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586996650 EH Annotated Anodyne CC(=O)N[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996876 EH Annotated Anodyne CC(=O)N[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996877 EH Annotated Anodyne N[C@H](Cc1nc2cccc(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586997121 EH Annotated Anodyne Cc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1F ZINC000586997123 EH Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000586997146 EH Annotated Anodyne CC(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586997159 EH Annotated Anodyne Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 ZINC000586997678 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 ZINC000586997685 EH Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586997712 EH Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586997727 EH Annotated Anodyne Cc1cc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c(C)n1 ZINC000586997742 EH Annotated Anodyne COc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1C ZINC000586997751 EH Annotated Anodyne Cc1c(F)ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586998032 EH Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cccnc3[nH]1)OCO2 ZINC000586998459 EH Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cccnc3[nH]1)OCO2 ZINC000586998460 EH Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cnccc3[nH]1)OCO2 ZINC000586998993 EH Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cnccc3[nH]1)OCO2 ZINC000586998994 EH Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C)c(C)cc3[nH]2)n1 ZINC000586999592 EH Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C)c(F)cc3[nH]2)n1 ZINC000586999611 EH Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(Cl)c3[nH]2)n1 ZINC000586999900 EH Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(C)ccc(C)c3[nH]2)n1 ZINC000587000030 EH Annotated Anodyne C=CCc1cccc2nc(Cc3nn(CC)cc3Br)[nH]c12 ZINC000587000290 EH Annotated Mild CCn1cc(Br)c(Cc2nc3cc(C)cc(F)c3[nH]2)n1 ZINC000587000467 EH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C)c(C)c3[nH]2)n1 ZINC000587000821 EH Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C)cc(C)c3[nH]2)n1 ZINC000587000826 EH Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3ccccc3[nH]2)c1 ZINC000587001091 EH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(F)c(C)c3[nH]2)n1 ZINC000587001413 EH Annotated Anodyne CCc1ccc2nc(Cc3nn(CC)cc3Br)[nH]c2c1 ZINC000587001514 EH Annotated Anodyne Clc1cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587001891 EH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000587002223 EH Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ncc[nH]c-4n3)c2o1 ZINC000587002734 EH Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cnnc(O)c4[nH]3)c2o1 ZINC000587002864 EH Annotated Anodyne Clc1cncc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587002870 EH Annotated Anodyne Cc1nccc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587003040 EH Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(O)ncnc4[nH]3)c2o1 ZINC000587003155 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587003363 EH Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2o1 ZINC000587003479 EH Annotated Anodyne N#Cc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587003490 EH Annotated Mild Cc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c(C)n1 ZINC000587003507 EH Annotated Anodyne Clc1nccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587003769 EH Annotated Anodyne Cc1cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587003866 EH Annotated Anodyne Oc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587004036 EH Annotated Anodyne Clc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 ZINC000587004106 EH Annotated Anodyne Cc1cncc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587004206 EH Annotated Anodyne N#Cc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587004287 EH Annotated Mild Cc1cc2c(Br)ccc(-c3nc4cnncc4[nH]3)c2o1 ZINC000587004385 EH Annotated Anodyne Cc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 ZINC000587004514 EH Annotated Anodyne COc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587004516 EH Annotated Anodyne Clc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cn1 ZINC000587004517 EH Annotated Anodyne Clc1ccnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587004541 EH Annotated Anodyne Oc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587004548 EH Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2o1 ZINC000587004699 EH Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cncnc4[nH]3)c2o1 ZINC000587004702 EH Annotated Anodyne N#Cc1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587004955 EH Annotated Mild Cc1c(F)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005193 EH Annotated Anodyne OCc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 ZINC000587005202 EH Annotated Anodyne Cc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1F ZINC000587005231 EH Annotated Anodyne Fc1cnc2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587005328 EH Annotated Anodyne OCc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 ZINC000587005331 EH Annotated Anodyne Fc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1F ZINC000587005377 EH Annotated Anodyne N#Cc1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005451 EH Annotated Mild N#Cc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 ZINC000587005494 EH Annotated Mild Fc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1F ZINC000587005516 EH Annotated Anodyne CCc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005623 EH Annotated Anodyne Cc1cc(F)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005739 EH Annotated Anodyne Fc1cc(F)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005803 EH Annotated Anodyne Clc1ccc(Br)nc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587005812 EH Annotated Anodyne N#Cc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 ZINC000587005840 EH Annotated Mild Fc1cnc2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005864 EH Annotated Anodyne Fc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005875 EH Annotated Anodyne Fc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005911 EH Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006031 EH Annotated Anodyne Cc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2n1 ZINC000587006049 EH Annotated Anodyne COc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2n1 ZINC000587006079 EH Annotated Anodyne Oc1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006113 EH Annotated Anodyne Cc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006188 EH Annotated Anodyne Cc1cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587006196 EH Annotated Anodyne Fc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1F ZINC000587006224 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 ZINC000587006246 EH Annotated Anodyne N#Cc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587006281 EH Annotated Mild Clc1ccnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 ZINC000587006299 EH Annotated Anodyne Cc1cc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c(C)n1 ZINC000587006300 EH Annotated Anodyne Cc1cncc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587006301 EH Annotated Anodyne Fc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006401 EH Annotated Anodyne Clc1ccnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006408 EH Annotated Anodyne Cc1cncc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006452 EH Annotated Anodyne Cc1cnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587006454 EH Annotated Anodyne OCc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 ZINC000587006455 EH Annotated Anodyne COc1nccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006459 EH Annotated Anodyne COc1cncc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006488 EH Annotated Anodyne Clc1nccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006489 EH Annotated Anodyne Clc1ncc2nc(-c3cc4ccc(Br)cn4c3)nc-2[nH]1 ZINC000587006497 EH Annotated Anodyne N#Cc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006498 EH Annotated Mild Fc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1F ZINC000587006509 EH Annotated Anodyne Clc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 ZINC000587006587 EH Annotated Anodyne Clc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 ZINC000587006607 EH Annotated Anodyne Clc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1 ZINC000587006618 EH Annotated Anodyne Clc1ccnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587006624 EH Annotated Anodyne Clc1ncnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 ZINC000587006636 EH Annotated Anodyne Clc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587006657 EH Annotated Anodyne Clc1cncc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006721 EH Annotated Anodyne N#Cc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587006722 EH Annotated Mild Clc1c[nH]c2nc(-c3cc4ccc(Br)cn4c3)nc-2n1 ZINC000587006754 EH Annotated Anodyne Cc1nccc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 ZINC000587006819 EH Annotated Anodyne Fc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1F ZINC000587006835 EH Annotated Anodyne Fc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006928 EH Annotated Anodyne COc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006995 EH Annotated Anodyne COc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587007022 EH Annotated Anodyne Cc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587007059 EH Annotated Anodyne Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2c(C)n1 ZINC000587007080 EH Annotated Anodyne Fc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587007099 EH Annotated Anodyne Clc1nccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587007135 EH Annotated Anodyne N#Cc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 ZINC000587007161 EH Annotated Mild Fc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1F ZINC000587007189 EH Annotated Anodyne Clc1cncc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007201 EH Annotated Anodyne Fc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007239 EH Annotated Anodyne Clc1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587007275 EH Annotated Anodyne COc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cn1 ZINC000587007277 EH Annotated Anodyne Fc1cnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587007286 EH Annotated Anodyne COc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587007331 EH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@H](Cl)CCl)[nH]c12 ZINC000587007358 EH Annotated Reactive O=[N+]([O-])c1c(Br)ccc2nc([C@@H](Cl)CCl)[nH]c12 ZINC000587007359 EH Annotated Reactive COc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007415 EH Annotated Anodyne N#Cc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587007440 EH Annotated Mild Clc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1 ZINC000587007476 EH Annotated Anodyne Clc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 ZINC000587007503 EH Annotated Anodyne ClC[C@H](Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587007507 EH Annotated Reactive ClC[C@@H](Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587007508 EH Annotated Reactive C[C@H](Br)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587007539 EH Annotated Reactive Cc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007684 EH Annotated Anodyne Brc1ccc2[nH]c(-c3ccc(Br)o3)nc2n1 ZINC000587007695 EH Annotated Anodyne Clc1nccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007721 EH Annotated Anodyne Brc1cc2[nH]c(-c3ccc(Br)o3)nc2cn1 ZINC000587007744 EH Annotated Anodyne Brc1ccc(-c2nc3nccc(Br)c3[nH]2)o1 ZINC000587007751 EH Annotated Anodyne Clc1c(-c2nc3cc4cn[nH]c4cc3[nH]2)ccnc1Br ZINC000587007778 EH Annotated Anodyne Clc1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587007843 EH Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](Cl)CCl)[nH]c12 ZINC000587008030 EH Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(C(C)(C)Cl)nc2c1 ZINC000587008033 EH Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](Cl)CCl)[nH]c12 ZINC000587008040 EH Annotated Reactive C[C@H](Br)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587008060 EH Annotated Reactive Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1C ZINC000587008107 EH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)Cl)nc2c1 ZINC000587008111 EH Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587008149 EH Annotated Anodyne CCc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008216 EH Annotated Anodyne ClC[C@@H](Cl)c1nc2cccc(I)c2[nH]1 ZINC000587008232 EH Annotated Reactive ClC[C@H](Cl)c1nc2cccc(I)c2[nH]1 ZINC000587008236 EH Annotated Reactive C[C@H](Br)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587008239 EH Annotated Reactive Fc1cc2nc(-c3ccc(Br)o3)[nH]c2cc1-n1cccn1 ZINC000587008353 EH Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3ccc(Br)o3)nc2cc1F ZINC000587008382 EH Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@H](Cl)CCl)[nH]c12 ZINC000587008396 EH Annotated Reactive O=[N+]([O-])c1cc(Br)cc2nc([C@@H](Cl)CCl)[nH]c12 ZINC000587008397 EH Annotated Reactive COc1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587008403 EH Annotated Anodyne Cc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587008418 EH Annotated Anodyne Cc1nccc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 ZINC000587008434 EH Annotated Anodyne Clc1cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587008447 EH Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587008475 EH Annotated Anodyne Fc1cc(F)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587008520 EH Annotated Anodyne Cc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 ZINC000587008539 EH Annotated Anodyne N#Cc1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587008550 EH Annotated Mild Oc1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587008581 EH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](Cl)CCl)[nH]c21 ZINC000587008641 EH Annotated Reactive O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](Cl)CCl)[nH]c21 ZINC000587008645 EH Annotated Reactive C[C@H](Br)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587008788 EH Annotated Reactive Brc1ccc(-c2nc3c(Br)nccc3[nH]2)o1 ZINC000587008825 EH Annotated Anodyne C[C@H](Br)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587009038 EH Annotated Reactive ClC[C@H](Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587009229 EH Annotated Reactive ClC[C@@H](Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587009230 EH Annotated Reactive Cc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1C ZINC000587009248 EH Annotated Anodyne ClC[C@H](Cl)c1nc2ccc(I)cc2[nH]1 ZINC000587009275 EH Annotated Reactive ClC[C@@H](Cl)c1nc2ccc(I)cc2[nH]1 ZINC000587009276 EH Annotated Reactive C[C@H](Br)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587009314 EH Annotated Reactive CC(C)COc1cc2nc([C@H](N)CCl)[nH]c2cc1Br ZINC000587009367 EH Annotated Reactive CCCCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br ZINC000587010085 EH Annotated Reactive N[C@H](CCl)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587010263 EH Annotated Reactive N[C@H](CCl)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587010325 EH Annotated Reactive Cc1nc(Br)sc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587010497 EH Annotated Mild Cc1nc(Br)sc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587010618 EH Annotated Anodyne COc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1F ZINC000587010625 EH Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587010924 EH Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 ZINC000587011044 EH Annotated Anodyne COc1cncc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c12 ZINC000587011116 EH Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587011138 EH Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000587011170 EH Annotated Anodyne Cc1nc(C)c(Cc2nc3c(C)c(Br)cnc3[nH]2)s1 ZINC000587011248 EH Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(Br)c(C)nc3[nH]2)s1 ZINC000587011285 EH Annotated Anodyne N[C@H](CCl)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587011308 EH Annotated Reactive Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(N)ncnc2[nH]1 ZINC000587011332 EH Annotated Anodyne Cc1nc(Br)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587011535 EH Annotated Bother N[C@H](CCl)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587011557 EH Annotated Reactive Cc1nc(Br)sc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587011761 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc(C4CC4)nc3C)[nH]c2c1 ZINC000587011769 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3sc(C)nc3C)nc2c1 ZINC000587011823 EH Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587012044 EH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc(C4CC4)nc3C)nc2cc1OC ZINC000587012087 EH Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587012088 EH Annotated Anodyne Cc1nc(C)c(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1 ZINC000587012093 EH Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587012108 EH Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(Br)c(O)c3[nH]2)s1 ZINC000587012129 EH Annotated Anodyne N[C@H](CCl)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587012344 EH Annotated Reactive Cc1nc(-c2ccccc2)sc1Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000587012392 EH Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587012467 EH Annotated Anodyne Fc1cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587012488 EH Annotated Anodyne COc1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2n1 ZINC000587012508 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587012567 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587012602 EH Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587012616 EH Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587012626 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587012686 EH Annotated Anodyne Cc1nc(C)c(Cc2nc3c(F)cnc(Br)c3[nH]2)s1 ZINC000587012712 EH Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(C#N)cc(Br)c3[nH]2)s1 ZINC000587012767 EH Annotated Mild Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(O)ncnc2[nH]1 ZINC000587012802 EH Annotated Anodyne COc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cn1 ZINC000587012960 EH Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(N)c(N)cc2[nH]1 ZINC000587012966 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587013009 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587013020 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587013025 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(C4CC4)nc3C)[nH]c2c1OC ZINC000587013043 EH Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587013067 EH Annotated Bother COc1nccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c12 ZINC000587013069 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cccc(Br)c2[nH]1 ZINC000587013480 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(Br)cc2[nH]1 ZINC000587013557 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587013559 EH Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587013618 EH Annotated Bother CCCc1sc(=N)[nH]c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587013649 EH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(F)c3[nH]2)cs1 ZINC000587013852 EH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(F)cc3[nH]2)cs1 ZINC000587013893 EH Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cnnc(O)c2[nH]1 ZINC000587013970 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)s1 ZINC000587014057 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)s1 ZINC000587014060 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCO4)s1 ZINC000587014196 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCO4)s1 ZINC000587014197 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)s1 ZINC000587014416 EH Annotated Mild CCO[C@H](C)c1nc(C)c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)s1 ZINC000587014417 EH Annotated Mild CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)s1 ZINC000587014433 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)s1 ZINC000587014436 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)OC)cc3[nH]2)s1 ZINC000587014535 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)OC)cc3[nH]2)s1 ZINC000587014537 EH Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587014568 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(CCO)cc3[nH]2)s1 ZINC000587014629 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(CCO)cc3[nH]2)s1 ZINC000587014630 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc4cn[nH]c4cc3[nH]2)s1 ZINC000587014704 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc4cn[nH]c4cc3[nH]2)s1 ZINC000587014706 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(C(=O)OC)c3[nH]2)s1 ZINC000587014751 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cccc(C(=O)OC)c3[nH]2)s1 ZINC000587014752 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)s1 ZINC000587014845 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)s1 ZINC000587014846 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)s1 ZINC000587014847 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)s1 ZINC000587014848 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cccc(C(=O)O)c3[nH]2)s1 ZINC000587014856 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(C(=O)O)c3[nH]2)s1 ZINC000587014857 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)s1 ZINC000587014862 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)s1 ZINC000587014863 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCCO4)s1 ZINC000587015128 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCCO4)s1 ZINC000587015129 EH Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)s1 ZINC000587015133 EH Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)s1 ZINC000587015134 EH Annotated Anodyne Oc1ncnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 ZINC000587015509 EH Annotated Anodyne Oc1nncc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587015699 EH Annotated Anodyne Nc1ccnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 ZINC000587015722 EH Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cn1 ZINC000587015759 EH Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cn1 ZINC000587015761 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cs2)o1 ZINC000587016047 EH Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 ZINC000587016150 EH Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 ZINC000587016151 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1F ZINC000587016273 EH Annotated Bother O=[N+]([O-])c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1F ZINC000587016279 EH Annotated Bother N=c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c[nH]1 ZINC000587016318 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cs2)o1 ZINC000587016457 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)cs2)o1 ZINC000587016460 EH Annotated Anodyne Oc1nc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cs1 ZINC000587016464 EH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016465 EH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016468 EH Annotated Anodyne c1sc([C@H]2CCCO2)nc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587016566 EH Annotated Anodyne c1sc([C@@H]2CCCO2)nc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587016567 EH Annotated Anodyne Oc1nc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cs1 ZINC000587016599 EH Annotated Anodyne N=c1[nH]ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587016605 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1F ZINC000587016644 EH Annotated Bother Fc1cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587016708 EH Annotated Anodyne N#Cc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1C#N ZINC000587016709 EH Annotated Mild Clc1cccnc1-c1nc(-c2nc3c(Cl)ncnc3[nH]2)cs1 ZINC000587016739 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(C(=O)O)cc4[nH]3)cs2)o1 ZINC000587016755 EH Annotated Anodyne COc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1OC ZINC000587016770 EH Annotated Anodyne Cc1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1[N+](=O)[O-] ZINC000587016791 EH Annotated Bother Cc1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1[N+](=O)[O-] ZINC000587016793 EH Annotated Bother O=C(O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587016806 EH Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587016807 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cs2)o1 ZINC000587016904 EH Annotated Anodyne Fc1cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587016914 EH Annotated Anodyne Oc1nc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cs1 ZINC000587016978 EH Annotated Anodyne Fc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c(F)c1F ZINC000587017007 EH Annotated Anodyne Fc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c(F)c1F ZINC000587017009 EH Annotated Anodyne Oc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017044 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cs2)o1 ZINC000587017068 EH Annotated Bother O=C(O)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1F ZINC000587017085 EH Annotated Anodyne O=[N+]([O-])c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017133 EH Annotated Bother COC(=O)c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017135 EH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 ZINC000587017183 EH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 ZINC000587017186 EH Annotated Anodyne c1coc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCO5)cs2)c1 ZINC000587017213 EH Annotated Anodyne c1cnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 ZINC000587017226 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)cs2)o1 ZINC000587017231 EH Annotated Mild Cc1ccc(-c2nc(-c3nc4cccc(C(=O)O)c4[nH]3)cs2)o1 ZINC000587017234 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(CCO)cc4[nH]3)cs2)o1 ZINC000587017243 EH Annotated Anodyne Clc1ncc2nc(-c3csc(-c4ncccc4Cl)n3)nc-2[nH]1 ZINC000587017271 EH Annotated Anodyne Cc1nccc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587017272 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(S)nc(S)nc4[nH]3)cs2)o1 ZINC000587017362 EH Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cs2)o1 ZINC000587017387 EH Annotated Bother COc1cncc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017392 EH Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017403 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587017480 EH Annotated Anodyne c1cc(N=c2[nH]c(-c3nc4cnccc4[nH]3)cs2)c2cccnc2c1 ZINC000587017533 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017648 EH Annotated Anodyne COc1nccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017700 EH Annotated Anodyne OCc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017702 EH Annotated Anodyne Cc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 ZINC000587017720 EH Annotated Anodyne COc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1OC ZINC000587017768 EH Annotated Anodyne COc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1OC ZINC000587017771 EH Annotated Anodyne COc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cn1 ZINC000587017815 EH Annotated Anodyne Cc1cncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587017834 EH Annotated Anodyne Oc1nccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017850 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017881 EH Annotated Mild Clc1c[nH]c2nc(-c3csc(-c4ncccc4Cl)n3)nc-2n1 ZINC000587017917 EH Annotated Anodyne O=C(O)c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017940 EH Annotated Anodyne O=[N+]([O-])c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587018164 EH Annotated Bother Cc1cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587018171 EH Annotated Anodyne Oc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587018176 EH Annotated Anodyne c1coc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCCO5)cs2)c1 ZINC000587018189 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587018204 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587018205 EH Annotated Anodyne COc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 ZINC000587018261 EH Annotated Anodyne Cc1nccc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc12 ZINC000587019972 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(O)cc3[nH]2)cs1 ZINC000587020067 EH Annotated Anodyne Cc1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2n1 ZINC000587020274 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(O)c3[nH]2)cs1 ZINC000587020401 EH Annotated Anodyne Cc1ccnc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc12 ZINC000587020451 EH Annotated Anodyne Cc1cnc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587020480 EH Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)cs1 ZINC000587020533 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1 ZINC000587020546 EH Annotated Bother Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)OCCO4)cs1 ZINC000587020548 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(Cl)nc(C#N)c3[nH]2)cs1 ZINC000587020612 EH Annotated Mild N=c1[nH]c(-c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)cs1 ZINC000587020651 EH Annotated Anodyne N#Cc1ncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)s1 ZINC000587020764 EH Annotated Mild N=c1[nH]c(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cs1 ZINC000587020794 EH Annotated Anodyne CSc1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 ZINC000587020802 EH Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(N)ccnc4[nH]3)c2)cs1 ZINC000587020815 EH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(F)c(F)c(F)c4[nH]3)s2)cn1 ZINC000587020825 EH Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)cs1 ZINC000587020865 EH Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccnc(O)c4[nH]3)c2)cs1 ZINC000587020895 EH Annotated Anodyne Cc1cncc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587020910 EH Annotated Anodyne N#Cc1ncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)s1 ZINC000587020921 EH Annotated Mild Oc1c(Br)ccc2nc(-c3cnc(Cl)s3)[nH]c12 ZINC000587020951 EH Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)cs1 ZINC000587021027 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cs1 ZINC000587021135 EH Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cnc(-c5cnn(C)c5)s4)[nH]c32)n1 ZINC000587021157 EH Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cs1 ZINC000587021190 EH Annotated Bother Oc1nc2cc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3cc2[nH]1 ZINC000587021279 EH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(F)c(Br)c3[nH]2)s1 ZINC000587021288 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(F)c(Br)c3[nH]2)s1 ZINC000587021290 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)s1 ZINC000587021350 EH Annotated Anodyne Clc1ncc2nc(-c3cnc(Cc4ccccc4)s3)nc-2[nH]1 ZINC000587021359 EH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)s1 ZINC000587021400 EH Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)cs1 ZINC000587021408 EH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(F)cc(Br)c3[nH]2)s1 ZINC000587021478 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(F)cc(Br)c3[nH]2)s1 ZINC000587021479 EH Annotated Anodyne N#Cc1cc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2cc1C#N ZINC000587021495 EH Annotated Mild Cc1c(Br)ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c12 ZINC000587021547 EH Annotated Anodyne Cc1c(Br)ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c12 ZINC000587021554 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cnc([C@@H](C)O)s3)nc2c1 ZINC000587021556 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cnc([C@H](C)O)s3)nc2c1 ZINC000587021558 EH Annotated Anodyne O=C(O)c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587021646 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cnc(Cl)s3)nc2c1 ZINC000587021647 EH Annotated Mild Cn1cc(-c2ncc(-c3nc4cc(Cl)cc(F)c4[nH]3)s2)cn1 ZINC000587021652 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587021708 EH Annotated Bother Clc1ncnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 ZINC000587021747 EH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)s2)cn1 ZINC000587021767 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cs1 ZINC000587021792 EH Annotated Bother N#Cc1ncc(-c2nc3cc(Cl)cc(Br)c3[nH]2)s1 ZINC000587021795 EH Annotated Mild COC(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 ZINC000587021819 EH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)s1 ZINC000587021861 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)s1 ZINC000587021863 EH Annotated Anodyne N#Cc1ncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)s1 ZINC000587021948 EH Annotated Mild O=[N+]([O-])c1cncc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587021959 EH Annotated Bother Clc1c[nH]c2nc(-c3cnc(Cc4ccccc4)s3)nc-2n1 ZINC000587021967 EH Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cs1 ZINC000587021975 EH Annotated Bother Cc1c(Br)cc2nc(-c3cnc(C#N)s3)[nH]c2c1C ZINC000587021980 EH Annotated Mild N#Cc1ncc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 ZINC000587021995 EH Annotated Mild Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cs1 ZINC000587022007 EH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc5c(c4[nH]3)CCCC5)s2)cn1 ZINC000587022034 EH Annotated Anodyne CC(C)Oc1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 ZINC000587022076 EH Annotated Anodyne OCCc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587022115 EH Annotated Anodyne COC(=O)c1cccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c12 ZINC000587022119 EH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(Cl)c(F)cc4[nH]3)s2)cn1 ZINC000587022128 EH Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)cs1 ZINC000587022150 EH Annotated Anodyne COc1cc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2cc1F ZINC000587022158 EH Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)cs1 ZINC000587022167 EH Annotated Anodyne N#Cc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)s1 ZINC000587022179 EH Annotated Mild Cn1cc(-c2ncc(-c3nc4cnc5ccccc5c4[nH]3)s2)cn1 ZINC000587022188 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cs1 ZINC000587022246 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cs1 ZINC000587022251 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(C#N)c(C#N)cc3[nH]2)cs1 ZINC000587022255 EH Annotated Mild C[C@@H](O)c1ncc(-c2nc3cc(Br)cc(F)c3[nH]2)s1 ZINC000587022263 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(Br)cc(F)c3[nH]2)s1 ZINC000587022265 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cs1 ZINC000587022268 EH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc5ncccc5c4[nH]3)s2)cn1 ZINC000587022298 EH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 ZINC000587022306 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 ZINC000587022309 EH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)s2)cn1 ZINC000587022311 EH Annotated Mild C[C@H](O)c1ncc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 ZINC000587022397 EH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 ZINC000587022398 EH Annotated Anodyne COc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Cl ZINC000587022464 EH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cs1 ZINC000587022536 EH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(Br)c(F)c3[nH]2)s1 ZINC000587022598 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(Br)c(F)c3[nH]2)s1 ZINC000587022599 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)s1 ZINC000587022620 EH Annotated Mild C[C@@H](O)c1ncc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)s1 ZINC000587022621 EH Annotated Mild C[C@@H](O)c1ncc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587022639 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587022640 EH Annotated Anodyne Cc1cc(Br)cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c12 ZINC000587022650 EH Annotated Anodyne Cc1cc(Br)cc2nc(-c3cnc([C@H](C)O)s3)[nH]c12 ZINC000587022651 EH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(Br)c(F)cc3[nH]2)s1 ZINC000587022675 EH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(Br)c(F)cc3[nH]2)s1 ZINC000587022676 EH Annotated Anodyne N#Cc1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 ZINC000587022713 EH Annotated Mild C[C@@H](O)c1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 ZINC000587022772 EH Annotated Bother C[C@H](O)c1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 ZINC000587022773 EH Annotated Bother N#Cc1ncc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)s1 ZINC000587022805 EH Annotated Mild C[C@@H](O)c1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)s1 ZINC000587022806 EH Annotated Bother C[C@H](O)c1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)s1 ZINC000587022807 EH Annotated Bother Cc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1Br ZINC000587022829 EH Annotated Anodyne Cc1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2cc1Br ZINC000587022830 EH Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cnc(Cl)s3)nc12 ZINC000587022878 EH Annotated Anodyne Cc1nccc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587022882 EH Annotated Anodyne Cc1cnc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587022885 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cnc(Cl)s3)nc12 ZINC000587022991 EH Annotated Anodyne Cc1ccnc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587023072 EH Annotated Anodyne O=C1COc2cc3nc(-c4ccc(-c5nccs5)cc4)[nH]c3cc2N1 ZINC000587023234 EH Annotated Anodyne Cc1nc2[nH]c(-c3cnc(Cl)s3)nc2cc1Br ZINC000587023260 EH Annotated Anodyne Sc1nc(S)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2n1 ZINC000587023323 EH Annotated Anodyne OCCc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 ZINC000587023362 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)cccc3[nH]2)s1 ZINC000587023414 EH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cn1 ZINC000587023419 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncc(F)cc3[nH]2)s1 ZINC000587023443 EH Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023503 EH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cnc(Cl)s3)nc2c1 ZINC000587023613 EH Annotated Anodyne Cc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2n1 ZINC000587023724 EH Annotated Anodyne Oc1nc2cc3[nH]c(-c4ccc(-c5nccs5)s4)nc3cc2[nH]1 ZINC000587023771 EH Annotated Anodyne Sc1nc(S)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2n1 ZINC000587023787 EH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cnc(Cl)s3)nc1-2 ZINC000587023925 EH Annotated Anodyne Cc1cncc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587023966 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C#N)cccc3[nH]2)s1 ZINC000587023967 EH Annotated Mild COC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2n1 ZINC000587024155 EH Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 ZINC000587024331 EH Annotated Bother N[C@H](c1ccsc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587024442 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587024443 EH Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587024444 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587024594 EH Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587024598 EH Annotated Anodyne Cc1ccc2c(ccc3nc(CSc4nnc(S)s4)[nH]c32)n1 ZINC000587024862 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587025185 EH Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587025191 EH Annotated Anodyne COc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Cl ZINC000587025219 EH Annotated Anodyne Cc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Cl ZINC000587025293 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587025302 EH Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587025303 EH Annotated Anodyne Sc1nnc(SCc2nc3ccc4ncccc4c3[nH]2)s1 ZINC000587025304 EH Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](N)c4ccsc4)[nH]c3c2)cc1N ZINC000587025351 EH Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](N)c4ccsc4)[nH]c3c2)cc1N ZINC000587025352 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587025463 EH Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587025464 EH Annotated Anodyne COC(=O)c1cc2[nH]c(CSCc3ccsc3)nc2cc1OC ZINC000587025472 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587025476 EH Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587025477 EH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3ccsc3)nc-2[nH]1 ZINC000587025581 EH Annotated Anodyne Sc1nnc(SCc2nc3ccc4c(c3[nH]2)CCCC4)s1 ZINC000587025587 EH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3ccsc3)nc-2[nH]1 ZINC000587025588 EH Annotated Anodyne N=c1[nH]c2nc(-c3cccc(-c4ccsc4)c3)nc-2c(Cl)[nH]1 ZINC000587025705 EH Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(S)s3)nc2cc1Cl ZINC000587025743 EH Annotated Anodyne Sc1nnc(SCc2nc3cnc4ccccc4c3[nH]2)s1 ZINC000587025772 EH Annotated Anodyne Fc1cc(Cl)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025805 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587025814 EH Annotated Mild CC1=C(c2ccc3nc(/C=C\c4ccsc4)[nH]c3c2)NNC(=O)C1 ZINC000587025816 EH Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4ccsc4)[nH]c3c2)NNC(=O)C1 ZINC000587025826 EH Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025870 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587025938 EH Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587025940 EH Annotated Anodyne COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cn1 ZINC000587026158 EH Annotated Anodyne COc1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2n1 ZINC000587026160 EH Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 ZINC000587026261 EH Annotated Anodyne C(=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1)\c1ccsc1 ZINC000587026267 EH Annotated Anodyne C(=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)\c1ccsc1 ZINC000587026281 EH Annotated Anodyne COc1cncc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c12 ZINC000587026333 EH Annotated Anodyne c1cc(-c2ccsc2)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587026347 EH Annotated Anodyne O=C1CCc2cc3nc(CSCc4ccsc4)[nH]c3cc2N1 ZINC000587026386 EH Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(CO)cc2[nH]1 ZINC000587026419 EH Annotated Anodyne CSc1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587026434 EH Annotated Anodyne CC(C)(C)c1ccc2nc(CSc3nnc(S)s3)[nH]c2n1 ZINC000587026439 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587026519 EH Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587026521 EH Annotated Anodyne Cc1ncsc1CCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587026581 EH Annotated Mild COc1nccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c12 ZINC000587026613 EH Annotated Anodyne Cc1ncsc1CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587026786 EH Annotated Anodyne Cc1ncsc1CCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587026798 EH Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587026941 EH Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000587026950 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCc3scnc3C)nc2c1 ZINC000587026951 EH Annotated Anodyne Cc1ncsc1CCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587026952 EH Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(CCO)cc2[nH]1 ZINC000587026957 EH Annotated Anodyne CN(C)CCOc1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587027112 EH Annotated Anodyne Cc1nc2[nH]c(CCc3scnc3C)nc2cc1Br ZINC000587027219 EH Annotated Anodyne Brc1c[nH]c2nc(CSCc3ccsc3)nc-2n1 ZINC000587027222 EH Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587027236 EH Annotated Mild Cc1oc(-c2ccsc2)nc1Cc1nc2c(Cl)ncnc2[nH]1 ZINC000587027264 EH Annotated Anodyne N[C@H](c1ccsc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587027571 EH Annotated Bother N[C@@H](c1ccsc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587027574 EH Annotated Bother Cc1oc(-c2ccsc2)nc1Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000587027625 EH Annotated Anodyne Oc1nc2cc3nc(-c4ncsc4-c4ccccc4)[nH]c3cc2[nH]1 ZINC000587027729 EH Annotated Anodyne Cc1ncsc1CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587027740 EH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587027801 EH Annotated Mild Cc1ncsc1-c1c[nH]cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587027818 EH Annotated Bother Cc1ncsc1-c1c[nH]cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587027882 EH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587027883 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 ZINC000587027888 EH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587027909 EH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587027956 EH Annotated Bother Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587028091 EH Annotated Mild COC(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2n1 ZINC000587028093 EH Annotated Anodyne FC(F)(F)c1ncc2nc(CSCc3ccsc3)nc-2[nH]1 ZINC000587028123 EH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587028172 EH Annotated Anodyne O=C1COc2cc3[nH]c(-c4ncsc4-c4ccccc4)nc3cc2N1 ZINC000587028308 EH Annotated Anodyne COC(=O)c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cn1 ZINC000587028348 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ncsc3-c3ccccc3)nc12 ZINC000587028376 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587028424 EH Annotated Anodyne COC(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1OC ZINC000587028502 EH Annotated Anodyne Sc1nc(S)c2nc(-c3ncsc3-c3ccccc3)[nH]c2n1 ZINC000587028577 EH Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587028688 EH Annotated Bother N[C@H](c1ccsc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587028689 EH Annotated Bother COC(=O)c1cccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c12 ZINC000587028765 EH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587028791 EH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587028804 EH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587028828 EH Annotated Anodyne COc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cn1 ZINC000587028917 EH Annotated Anodyne Clc1c[nH]c2nc(-c3ccccc3OCc3cscn3)nc-2n1 ZINC000587028920 EH Annotated Anodyne COc1nccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587028989 EH Annotated Anodyne COc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 ZINC000587029184 EH Annotated Anodyne Fc1cnc2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587029226 EH Annotated Anodyne Cc1c(-c2nc3c(F)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029355 EH Annotated Anodyne Cc1c(-c2nc3cc(F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029362 EH Annotated Anodyne Clc1ncnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 ZINC000587029372 EH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587029552 EH Annotated Anodyne Clc1ncc2nc(-c3ccccc3OCc3cscn3)nc-2[nH]1 ZINC000587029710 EH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587029752 EH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587029792 EH Annotated Anodyne COc1cncc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029972 EH Annotated Anodyne OCc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587029999 EH Annotated Anodyne Cc1c(-c2nc3c(C#N)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030011 EH Annotated Mild Cc1c(-c2nc3cc(C#N)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030088 EH Annotated Mild Nc1c(-c2nc3ncc[nH]c-3n2)sc2cc(Br)ccc12 ZINC000587030583 EH Annotated Anodyne Nc1c(-c2nc3cnncc3[nH]2)sc2cc(Br)ccc12 ZINC000587030909 EH Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1 ZINC000587031065 EH Annotated Anodyne FC1(F)Oc2cc3nc(-c4csc5c4CCOC5)[nH]c3cc2O1 ZINC000587031333 EH Annotated Anodyne Brc1ccnc2[nH]c(-c3csc4c3CCOC4)nc12 ZINC000587031342 EH Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3csc4c3CCOC4)nc2c1F ZINC000587031645 EH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587031648 EH Annotated Anodyne c1sc2c(c1-c1nc3cc4c(cc3[nH]1)OCCCO4)CCOC2 ZINC000587031684 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3csc4c3CCOC4)nc2c1 ZINC000587031753 EH Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc4c3CCOC4)[nH]c2cn1 ZINC000587031771 EH Annotated Anodyne Brc1cncc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587031838 EH Annotated Anodyne Oc1ccc2scc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2c1 ZINC000587031857 EH Annotated Anodyne Clc1ncc2nc(-c3c(-n4cccc4)sc4c3CCC4)nc-2[nH]1 ZINC000587031904 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Cl ZINC000587031964 EH Annotated Bother O=C(O)c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1F ZINC000587032048 EH Annotated Anodyne Nc1c(-c2nc3cncnc3[nH]2)sc2cc(Br)ccc12 ZINC000587032087 EH Annotated Anodyne Fc1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1-n1cccn1 ZINC000587032161 EH Annotated Anodyne Clc1c[nH]c2nc(-c3c(-n4cccc4)sc4c3CCC4)nc-2n1 ZINC000587032181 EH Annotated Anodyne Oc1ccc2scc(-c3nc4c(S)nc(S)nc4[nH]3)c2c1 ZINC000587032233 EH Annotated Anodyne Brc1ccc2nc(-c3csc4c3CCOC4)[nH]c2n1 ZINC000587032267 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3csc4ccc(O)cc34)[nH]c12 ZINC000587032320 EH Annotated Anodyne Brc1nccc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587032441 EH Annotated Anodyne Brc1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1 ZINC000587032518 EH Annotated Anodyne Oc1ccc2scc(-c3nc4nc(Br)c[nH]c-4n3)c2c1 ZINC000587032582 EH Annotated Anodyne Brc1cc2nc(-c3csc4c3CCOC4)[nH]c2cn1 ZINC000587032653 EH Annotated Anodyne Nc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1N ZINC000587032725 EH Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2C1 ZINC000587032812 EH Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2C1 ZINC000587032814 EH Annotated Anodyne COc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cn1 ZINC000587032969 EH Annotated Anodyne COc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2n1 ZINC000587033015 EH Annotated Anodyne COc1nccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033075 EH Annotated Anodyne COc1cncc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033113 EH Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2C1 ZINC000587033142 EH Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2C1 ZINC000587033143 EH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cn1 ZINC000587033173 EH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cn1 ZINC000587033174 EH Annotated Anodyne C[C@H]1CCc2sc(-c3nc4c(S)nc(S)nc4[nH]3)cc2C1 ZINC000587033182 EH Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4c(S)nc(S)nc4[nH]3)cc2C1 ZINC000587033183 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 ZINC000587033708 EH Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c12 ZINC000587034089 EH Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c12 ZINC000587034093 EH Annotated Anodyne Cc1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1[N+](=O)[O-] ZINC000587034127 EH Annotated Bother Cc1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1[N+](=O)[O-] ZINC000587034129 EH Annotated Bother CSc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587034229 EH Annotated Anodyne Cc1cc(C)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1 ZINC000587034236 EH Annotated Anodyne C=CCc1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587034262 EH Annotated Mild COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2n1 ZINC000587034289 EH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2n1 ZINC000587034290 EH Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4nc(Br)c[nH]c-4n3)cc2C1 ZINC000587034699 EH Annotated Anodyne C[C@H]1CCc2sc(-c3nc4nc(Br)c[nH]c-4n3)cc2C1 ZINC000587034703 EH Annotated Anodyne O=C(NCc1nc2cccc(Cl)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034796 EH Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034894 EH Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034895 EH Annotated Anodyne O=C(NCc1nc2ccc3ncccc3c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035034 EH Annotated Anodyne O=C(NCc1nc2cnc3ccccc3c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035080 EH Annotated Anodyne O=C(NCc1nc2cc(Cl)cc(F)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035081 EH Annotated Anodyne c1cc2c(s1)[C@H](Cc1nc3cc4c(cc3[nH]1)OCCCO4)OCC2 ZINC000587035096 EH Annotated Anodyne c1cc2c(s1)[C@@H](Cc1nc3cc4c(cc3[nH]1)OCCCO4)OCC2 ZINC000587035098 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1F ZINC000587035135 EH Annotated Bother O=[N+]([O-])c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1F ZINC000587035136 EH Annotated Bother FC(F)(F)c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cn1 ZINC000587035172 EH Annotated Anodyne FC(F)(F)c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cn1 ZINC000587035174 EH Annotated Anodyne Cc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1C ZINC000587035197 EH Annotated Anodyne Cc1ccc(C)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc12 ZINC000587035344 EH Annotated Anodyne CCc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587035382 EH Annotated Anodyne O=C(NCc1nc2cc(Cl)c(F)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035476 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587036418 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587036419 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc4c(s3)CCC4)[nH]c2cc1[N+](=O)[O-] ZINC000587036459 EH Annotated Bother COC(=O)c1cc2nc(-c3cc4c(s3)CCC4)[nH]c2cc1OC ZINC000587036469 EH Annotated Anodyne Oc1nc2cc3nc([C@@H]4SCCc5sccc54)[nH]c3cc2[nH]1 ZINC000587036530 EH Annotated Anodyne Oc1nc2cc3nc([C@H]4SCCc5sccc54)[nH]c3cc2[nH]1 ZINC000587036531 EH Annotated Anodyne O=C(O)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1F ZINC000587036662 EH Annotated Anodyne O=C(O)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1F ZINC000587036663 EH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1OC ZINC000587036730 EH Annotated Anodyne O=C1CCc2cc3nc([C@H]4SCCc5sccc54)[nH]c3cc2N1 ZINC000587036773 EH Annotated Anodyne O=C1CCc2cc3nc([C@@H]4SCCc5sccc54)[nH]c3cc2N1 ZINC000587036774 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036835 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036836 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036837 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036838 EH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 ZINC000587036861 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587037327 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587037329 EH Annotated Anodyne FC(F)(F)c1ncc2nc([C@@H]3SCCc4sccc43)nc-2[nH]1 ZINC000587037346 EH Annotated Anodyne FC(F)(F)c1ncc2nc([C@H]3SCCc4sccc43)nc-2[nH]1 ZINC000587037347 EH Annotated Anodyne FC(F)(F)c1cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 ZINC000587037361 EH Annotated Anodyne FC(F)(F)c1cnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 ZINC000587037362 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587037392 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587037394 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587037495 EH Annotated Mild N#Cc1nc(Cl)cc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587037496 EH Annotated Mild COC(=O)c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587037692 EH Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587037694 EH Annotated Anodyne c1cc2c(s1)CCS[C@@H]2c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587037807 EH Annotated Anodyne c1cc2c(s1)CCS[C@H]2c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587037809 EH Annotated Anodyne CCc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 ZINC000587038054 EH Annotated Anodyne Cc1cccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587038456 EH Annotated Anodyne Cc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1F ZINC000587038465 EH Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc4ccccc4cc3[nH]2)C1=O ZINC000587038494 EH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc4ccccc4cc3[nH]2)C1=O ZINC000587038495 EH Annotated Mild COc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587038576 EH Annotated Anodyne COc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587038578 EH Annotated Anodyne COc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587038579 EH Annotated Anodyne COc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587038580 EH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587038602 EH Annotated Anodyne Cc1cc(F)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587038658 EH Annotated Anodyne Cc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587038768 EH Annotated Anodyne Cc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587038775 EH Annotated Anodyne Cc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587038776 EH Annotated Anodyne Cc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587038777 EH Annotated Anodyne Cc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 ZINC000587039125 EH Annotated Anodyne Clc1ccnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587039142 EH Annotated Anodyne Clc1ccnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587039145 EH Annotated Anodyne Clc1ccnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587039147 EH Annotated Anodyne Clc1ccnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587039149 EH Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)C1=O ZINC000587039173 EH Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)C1=O ZINC000587039174 EH Annotated Mild Cc1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587039184 EH Annotated Anodyne Brc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039249 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)ccc2[nH]1 ZINC000587039647 EH Annotated Anodyne Clc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039770 EH Annotated Anodyne Clc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039771 EH Annotated Anodyne Clc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039772 EH Annotated Anodyne Clc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039773 EH Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)C1=O ZINC000587039888 EH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)C1=O ZINC000587039889 EH Annotated Mild Cc1c(F)ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587039922 EH Annotated Anodyne Cc1c(Br)ccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587039985 EH Annotated Anodyne COc1cccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587040121 EH Annotated Anodyne Fc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F ZINC000587040160 EH Annotated Anodyne Fc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F ZINC000587040161 EH Annotated Anodyne Fc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F ZINC000587040163 EH Annotated Anodyne Fc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F ZINC000587040165 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587040274 EH Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587040302 EH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587040326 EH Annotated Anodyne N#Cc1cc2nc(Cc3csc4nccn34)[nH]c2cc1C(F)(F)F ZINC000587040365 EH Annotated Mild Cc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br ZINC000587040451 EH Annotated Anodyne Fc1cnc(Cl)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587040539 EH Annotated Anodyne Fc1cnc(Cl)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587040543 EH Annotated Anodyne Fc1cnc(Cl)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587040545 EH Annotated Anodyne Fc1cnc(Cl)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587040546 EH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587040565 EH Annotated Anodyne COc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587040573 EH Annotated Anodyne Fc1cc(F)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040586 EH Annotated Anodyne Fc1cc(F)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040588 EH Annotated Anodyne Fc1cc(F)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040589 EH Annotated Anodyne Fc1cc(F)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040590 EH Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1[N+](=O)[O-] ZINC000587040634 EH Annotated Bother CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587040640 EH Annotated Anodyne O=[N+]([O-])c1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1[N+](=O)[O-] ZINC000587040642 EH Annotated Bother COc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587040661 EH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587040694 EH Annotated Anodyne Brc1cccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587040845 EH Annotated Anodyne Clc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587040946 EH Annotated Anodyne Clc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587040947 EH Annotated Anodyne Clc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587040948 EH Annotated Anodyne Clc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587040949 EH Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587041018 EH Annotated Anodyne Cc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587041046 EH Annotated Anodyne Cc1cncc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587041145 EH Annotated Anodyne Cc1cncc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587041148 EH Annotated Anodyne FC(F)(F)Oc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587041168 EH Annotated Anodyne FC(F)(F)Oc1cccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587041173 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1OC ZINC000587041186 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3Cc4ccccc4S3)nc2cc1OC ZINC000587041194 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 ZINC000587041302 EH Annotated Anodyne COc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C ZINC000587041305 EH Annotated Anodyne COc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C ZINC000587041307 EH Annotated Anodyne COc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C ZINC000587041309 EH Annotated Anodyne COc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C ZINC000587041315 EH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587041527 EH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587041566 EH Annotated Anodyne Cc1cc2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587041586 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587041611 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587041612 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587041613 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587041614 EH Annotated Anodyne CC(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041626 EH Annotated Anodyne CC(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041627 EH Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041628 EH Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041629 EH Annotated Anodyne Clc1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587041668 EH Annotated Anodyne Clc1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587041669 EH Annotated Anodyne Clc1cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587041671 EH Annotated Anodyne Clc1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587041673 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587041837 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587041838 EH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(O)cc2[nH]1 ZINC000587041871 EH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(O)cc2[nH]1 ZINC000587041872 EH Annotated Anodyne Cc1c(F)ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587041939 EH Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587041940 EH Annotated Anodyne Cc1c(F)ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587041941 EH Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587041942 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1OC ZINC000587042024 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1OC ZINC000587042026 EH Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587042053 EH Annotated Anodyne CC(C)Oc1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587042054 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587042055 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587042059 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587042123 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587042126 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc12 ZINC000587042147 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc12 ZINC000587042151 EH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(O)c2[nH]1 ZINC000587042450 EH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(O)c2[nH]1 ZINC000587042451 EH Annotated Anodyne Clc1cncc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042660 EH Annotated Anodyne Clc1cncc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042661 EH Annotated Anodyne Clc1cncc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042662 EH Annotated Anodyne Clc1cncc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042663 EH Annotated Anodyne Cc1nccc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 ZINC000587042719 EH Annotated Anodyne Cc1nccc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 ZINC000587042720 EH Annotated Anodyne Cc1cnc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587042819 EH Annotated Anodyne Cc1cnc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587042820 EH Annotated Anodyne Nc1ccnc2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587042886 EH Annotated Anodyne Oc1nccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587042943 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587042975 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587042976 EH Annotated Anodyne O=C1CSC[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)N1 ZINC000587042982 EH Annotated Bother O=C1CSC[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)N1 ZINC000587042983 EH Annotated Bother Fc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587042992 EH Annotated Anodyne Fc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587042993 EH Annotated Anodyne Fc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587042994 EH Annotated Anodyne Fc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F ZINC000587042995 EH Annotated Anodyne COc1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043037 EH Annotated Anodyne COc1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043039 EH Annotated Anodyne COc1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043040 EH Annotated Anodyne COc1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043041 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587043120 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587043121 EH Annotated Anodyne O=C1CSc2ccc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 ZINC000587043231 EH Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc2N1 ZINC000587043243 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587043377 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587043379 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587043381 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587043382 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 ZINC000587043396 EH Annotated Mild Clc1nccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043428 EH Annotated Anodyne Clc1nccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043430 EH Annotated Anodyne Clc1nccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043432 EH Annotated Anodyne Clc1nccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043434 EH Annotated Anodyne COc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1C ZINC000587043462 EH Annotated Anodyne COc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1C ZINC000587043463 EH Annotated Anodyne Fc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(F)c1F ZINC000587043537 EH Annotated Anodyne Fc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(F)c1F ZINC000587043546 EH Annotated Anodyne Fc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(F)c1F ZINC000587043547 EH Annotated Anodyne Fc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(F)c1F ZINC000587043548 EH Annotated Anodyne Cc1ccnc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 ZINC000587043564 EH Annotated Anodyne Cc1ccnc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 ZINC000587043565 EH Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)N1 ZINC000587043634 EH Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)N1 ZINC000587043635 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000587043688 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000587043689 EH Annotated Anodyne Cc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 ZINC000587043778 EH Annotated Anodyne Cc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 ZINC000587043780 EH Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2n1 ZINC000587043802 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc12 ZINC000587043831 EH Annotated Anodyne COc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1C ZINC000587043915 EH Annotated Anodyne C=CCc1cccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587043924 EH Annotated Mild C=CCc1cccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587043925 EH Annotated Mild CSc1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587044276 EH Annotated Anodyne CSc1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587044277 EH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587044290 EH Annotated Mild CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587044291 EH Annotated Mild O=C1CSc2ccc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 ZINC000587044459 EH Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccnc(O)c2[nH]1 ZINC000587044804 EH Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(N)ccnc2[nH]1 ZINC000587044849 EH Annotated Anodyne COc1cc(-c2nc3cnncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045654 EH Annotated Anodyne COc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Cl)c1O ZINC000587045655 EH Annotated Bother COc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc(Cl)c1O ZINC000587045710 EH Annotated Anodyne COc1cc(-c2nc3ncc[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587045876 EH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(Cl)c(O)c(OC)c3)nc2c1 ZINC000587045891 EH Annotated Anodyne COc1cc(-c2nc3c(N)ccnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045944 EH Annotated Anodyne COc1cc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(Cl)c1O ZINC000587046130 EH Annotated Bother COc1cc(-c2nc3cncnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046243 EH Annotated Anodyne COc1cc(-c2nc3cc(=N)[nH]cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046386 EH Annotated Anodyne COc1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(Cl)c1O ZINC000587046435 EH Annotated Mild COc1cc(-c2nc3cc[nH]c(=N)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046569 EH Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3c(Cl)ncnc3[nH]2)ccc1Cl ZINC000587047089 EH Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3c(Cl)ncnc3[nH]2)ccc1Cl ZINC000587047090 EH Annotated Bother O=C(O)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047154 EH Annotated Bother O=C(O)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047159 EH Annotated Bother COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cn1 ZINC000587047291 EH Annotated Bother COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cn1 ZINC000587047292 EH Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)ccc1Cl ZINC000587047310 EH Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)ccc1Cl ZINC000587047311 EH Annotated Bother COc1cncc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047326 EH Annotated Bother COc1cncc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047327 EH Annotated Bother O=C(O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587047518 EH Annotated Bother O=C(O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587047519 EH Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)ccc1Cl ZINC000587047756 EH Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)ccc1Cl ZINC000587047757 EH Annotated Bother COc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587047831 EH Annotated Bother COc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587047832 EH Annotated Bother COc1nccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587048260 EH Annotated Bother COc1nccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587048263 EH Annotated Bother Nc1ncnc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc12 ZINC000587048517 EH Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)ccc1Cl ZINC000587048670 EH Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)ccc1Cl ZINC000587048671 EH Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3ccc(CO)cc3[nH]2)ccc1Cl ZINC000587048809 EH Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(CO)cc3[nH]2)ccc1Cl ZINC000587048811 EH Annotated Bother O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000587049028 EH Annotated Bother O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000587049034 EH Annotated Bother N=c1[nH]cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc-2[nH]1 ZINC000587049041 EH Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000587051215 EH Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000587051217 EH Annotated Bother CC(C)(C)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2n1 ZINC000587051239 EH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587051472 EH Annotated Anodyne CSc1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587051543 EH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587051613 EH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587051831 EH Annotated Anodyne CC(C)Oc1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587051869 EH Annotated Anodyne N=c1nc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c[nH]1 ZINC000587052077 EH Annotated Anodyne C=CCc1cccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 ZINC000587052399 EH Annotated Mild O=[N+]([O-])c1cnc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 ZINC000587052449 EH Annotated Bother CCc1cc(OCc2nc3ccc(C(=O)OC)nc3[nH]2)ccc1Cl ZINC000587052478 EH Annotated Anodyne CCc1cc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Cl ZINC000587052489 EH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587052553 EH Annotated Anodyne CCc1cc(OCc2nc3cc(C(=O)OC)ncc3[nH]2)ccc1Cl ZINC000587052645 EH Annotated Anodyne CCc1cc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000587052686 EH Annotated Bother CCc1cc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1Cl ZINC000587052769 EH Annotated Bother N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587052783 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc12 ZINC000587052809 EH Annotated Anodyne CCc1cc(OCc2nc3ccc(CCO)cc3[nH]2)ccc1Cl ZINC000587052871 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2c1 ZINC000587052914 EH Annotated Mild CCc1cc(OCc2nc3c(C(=O)OC)ccnc3[nH]2)ccc1Cl ZINC000587052934 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 ZINC000587053004 EH Annotated Bother Oc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(Cl)c1 ZINC000587053607 EH Annotated Anodyne Oc1nc(S)nc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc12 ZINC000587053764 EH Annotated Anodyne Oc1nc(S)nc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc12 ZINC000587053771 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1 ZINC000587053794 EH Annotated Anodyne N=c1[nH]c2nc(/C=C\c3cccc(Cl)c3Cl)nc-2c(Cl)[nH]1 ZINC000587054289 EH Annotated Anodyne N=c1[nH]c2nc(/C=C/c3cccc(Cl)c3Cl)nc-2c(Cl)[nH]1 ZINC000587054292 EH Annotated Anodyne N#Cc1nc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2nc1C#N ZINC000587054632 EH Annotated Mild N#Cc1nc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2nc1C#N ZINC000587054642 EH Annotated Mild NNC(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587054648 EH Annotated Reactive NNC(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587054649 EH Annotated Reactive N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587055536 EH Annotated Anodyne N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587055543 EH Annotated Anodyne Oc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(Cl)c1 ZINC000587055658 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2c1 ZINC000587055869 EH Annotated Mild N#Cc1cc(Cl)c2[nH]c(C[C@H](N)c3ccccc3Cl)nc2c1 ZINC000587055874 EH Annotated Mild N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587056657 EH Annotated Anodyne N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587056660 EH Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587056746 EH Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587056753 EH Annotated Anodyne FC(F)(F)c1ncc2nc(CCc3ccccc3Cl)nc-2[nH]1 ZINC000587057507 EH Annotated Anodyne O[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587057573 EH Annotated Anodyne O[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587057577 EH Annotated Anodyne N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1Cl ZINC000587057633 EH Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1Cl ZINC000587057639 EH Annotated Anodyne N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccccc1Cl ZINC000587057883 EH Annotated Bother N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccccc1Cl ZINC000587057890 EH Annotated Bother N[C@@H](Cc1ccccc1Cl)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587058142 EH Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587058145 EH Annotated Bother N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1Cl ZINC000587058403 EH Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1Cl ZINC000587058404 EH Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1Cl ZINC000587058453 EH Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1Cl ZINC000587058455 EH Annotated Anodyne O[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1Cl ZINC000587058462 EH Annotated Anodyne O[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1Cl ZINC000587058470 EH Annotated Anodyne COC(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1OC ZINC000587058514 EH Annotated Anodyne O[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1Cl ZINC000587058592 EH Annotated Anodyne O[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1Cl ZINC000587058594 EH Annotated Anodyne O[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587058601 EH Annotated Anodyne O[C@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1Cl ZINC000587058606 EH Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587058683 EH Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587058751 EH Annotated Anodyne Cc1cc2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2cc1[N+](=O)[O-] ZINC000587058760 EH Annotated Bother Cc1cc2[nH]c(C[C@H](N)c3ccccc3Cl)nc2cc1[N+](=O)[O-] ZINC000587058762 EH Annotated Bother CCOC(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 ZINC000587058783 EH Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587058845 EH Annotated Anodyne O[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587058994 EH Annotated Anodyne O[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587058995 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2c1 ZINC000587059054 EH Annotated Mild O[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1Cl ZINC000587059097 EH Annotated Anodyne O[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1Cl ZINC000587059099 EH Annotated Anodyne O[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1Cl ZINC000587059109 EH Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2cc1[N+](=O)[O-] ZINC000587059118 EH Annotated Bother O[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1Cl ZINC000587059249 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587059416 EH Annotated Bother O=C1CCc2cc3nc(CCc4ccccc4Cl)[nH]c3cc2N1 ZINC000587059531 EH Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587059570 EH Annotated Anodyne Clc1ccccc1CCc1nc2nc(Br)c[nH]c-2n1 ZINC000587059958 EH Annotated Anodyne O[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1Cl ZINC000587059996 EH Annotated Anodyne O[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1Cl ZINC000587059997 EH Annotated Anodyne O=[N+]([O-])c1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Cl ZINC000587060033 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Cl ZINC000587060034 EH Annotated Bother Clc1ccccc1NCc1nc2ccnc(Br)c2[nH]1 ZINC000587060136 EH Annotated Anodyne Clc1ccccc1NCc1nc2cc(Br)cnc2[nH]1 ZINC000587060161 EH Annotated Anodyne Clc1ccccc1NCc1nc2ccc(Br)nc2[nH]1 ZINC000587060274 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 ZINC000587060347 EH Annotated Bother N=c1nc(-c2ccccc2Cl)c(-c2nc3cccc(F)c3[nH]2)c[nH]1 ZINC000587060419 EH Annotated Anodyne Clc1ccccc1NCc1nc2cncc(Br)c2[nH]1 ZINC000587060446 EH Annotated Anodyne N#Cc1cccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 ZINC000587060535 EH Annotated Mild O=[N+]([O-])c1cnc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 ZINC000587060694 EH Annotated Bother Clc1ccccc1NCc1nc2c(Br)ccnc2[nH]1 ZINC000587060716 EH Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cnccc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060810 EH Annotated Anodyne COc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cn1 ZINC000587060838 EH Annotated Anodyne COc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2n1 ZINC000587060900 EH Annotated Anodyne Clc1ccccc1NCc1nc2cc(Br)ncc2[nH]1 ZINC000587060909 EH Annotated Anodyne COc1cncc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 ZINC000587061321 EH Annotated Anodyne O=C1CCc2cc3nc(CNc4ccccc4Cl)[nH]c3cc2N1 ZINC000587061328 EH Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587061370 EH Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587061371 EH Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cccnc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061530 EH Annotated Anodyne Clc1ccccc1NCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587061913 EH Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587062239 EH Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587062240 EH Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587062268 EH Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587062269 EH Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587062301 EH Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587062302 EH Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587062410 EH Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587062411 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 ZINC000587062554 EH Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587062580 EH Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587062581 EH Annotated Anodyne Oc1nncc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 ZINC000587062592 EH Annotated Anodyne Oc1ncnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 ZINC000587062765 EH Annotated Anodyne Cc1onc(-c2nc3ncncc3[nH]2)c1COc1ccccc1Cl ZINC000587062797 EH Annotated Anodyne COC(=O)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1OC ZINC000587062804 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(CNc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587062819 EH Annotated Bother FC(F)(F)c1ncc2nc(CNc3ccccc3Cl)nc-2[nH]1 ZINC000587062980 EH Annotated Anodyne Cc1onc(-c2nc3cnncc3[nH]2)c1COc1ccccc1Cl ZINC000587063146 EH Annotated Anodyne Clc1c[nH]c2nc(-c3coc(-c4ccccc4Cl)n3)nc-2n1 ZINC000587063440 EH Annotated Anodyne Clc1ncc2nc(-c3coc(-c4ccccc4Cl)n3)nc-2[nH]1 ZINC000587063562 EH Annotated Anodyne Clc1ccccc1-c1nc(-c2nc3c(Cl)ncnc3[nH]2)co1 ZINC000587063582 EH Annotated Anodyne Cc1onc(-c2nc3ncc[nH]c-3n2)c1COc1ccccc1Cl ZINC000587063644 EH Annotated Anodyne N=c1[nH]cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)nc-2[nH]1 ZINC000587063688 EH Annotated Anodyne N=c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c[nH]1 ZINC000587064148 EH Annotated Anodyne COc1cnc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1Cl ZINC000587064226 EH Annotated Anodyne Oc1nncc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064271 EH Annotated Anodyne COc1cnc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1Cl ZINC000587064280 EH Annotated Bother COc1cnc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1Cl ZINC000587064341 EH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(F)c2[nH]1 ZINC000587064388 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1Cl ZINC000587064441 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ncccc3Cl)nc2c1 ZINC000587064478 EH Annotated Mild Cc1nn(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)c(C)c1Cl ZINC000587064598 EH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(F)cc2[nH]1 ZINC000587064625 EH Annotated Anodyne COc1cnc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1Cl ZINC000587064691 EH Annotated Anodyne COc1cnc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1Cl ZINC000587064719 EH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ncccc3Cl)nc1-2 ZINC000587064799 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1Cl ZINC000587064811 EH Annotated Anodyne N=c1[nH]ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587065010 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1Cl ZINC000587065034 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1Cl ZINC000587065049 EH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C)cc2[nH]1 ZINC000587065073 EH Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3ncncc3[nH]2)o1 ZINC000587065098 EH Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3cnncc3[nH]2)o1 ZINC000587065132 EH Annotated Anodyne COc1cnc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1Cl ZINC000587065137 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1Cl ZINC000587065176 EH Annotated Anodyne COc1cnc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1Cl ZINC000587065224 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OC)c(Cl)cc3[nH]2)c1Cl ZINC000587065260 EH Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3ncc[nH]c-3n2)o1 ZINC000587065331 EH Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)c(C)c1Cl ZINC000587065394 EH Annotated Anodyne Oc1ncnc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587065413 EH Annotated Anodyne COc1cnc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1Cl ZINC000587065434 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1Cl ZINC000587065454 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(Br)c3[nH]2)c1Cl ZINC000587065459 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Br)cc3[nH]2)c1Cl ZINC000587065572 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1Cl ZINC000587065592 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1Cl ZINC000587065678 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1Cl ZINC000587065742 EH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1Cl ZINC000587065751 EH Annotated Bother COc1nccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c12 ZINC000587065911 EH Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587066047 EH Annotated Anodyne COc1cncc2nc(CCCOc3ccc(Cl)cc3C)[nH]c12 ZINC000587066149 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(Cl)cc3OC)[nH]c2c1OC ZINC000587066179 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(Cl)cc3OC)[nH]c2c1 ZINC000587066195 EH Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cccc(C(N)=O)c2[nH]1 ZINC000587066349 EH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(OC)c2[nH]1 ZINC000587066354 EH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)nc(C)cc2[nH]1 ZINC000587066358 EH Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2c(Cl)ncnc2[nH]1 ZINC000587066492 EH Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587066558 EH Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587066667 EH Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587066695 EH Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587066699 EH Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587066809 EH Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587066852 EH Annotated Anodyne COc1cc(Cl)ccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587066875 EH Annotated Anodyne COc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cn1 ZINC000587066921 EH Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587066935 EH Annotated Mild COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(C)c2[nH]1 ZINC000587066953 EH Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587066973 EH Annotated Bother Cc1cc(Cl)ccc1C#Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587067055 EH Annotated Mild COc1cc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2cc1OC ZINC000587067143 EH Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587067198 EH Annotated Anodyne COc1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2n1 ZINC000587067239 EH Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587067240 EH Annotated Mild CNc1cc(Cl)ccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587067251 EH Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587067258 EH Annotated Mild CNc1cc(Cl)ccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587067274 EH Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587067342 EH Annotated Mild COc1cc(OC)c2[nH]c(C#Cc3ccc(Cl)cc3C)nc2c1 ZINC000587067344 EH Annotated Mild OCc1ccc(-c2cc(Cl)cc(-c3nc4cnncc4[nH]3)c2)cc1 ZINC000587067466 EH Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cncnc4[nH]3)c2)cc1 ZINC000587067505 EH Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4ncc[nH]c-4n3)c2)cc1 ZINC000587067527 EH Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2cn1 ZINC000587067724 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2n1 ZINC000587067758 EH Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587067817 EH Annotated Bother Clc1cccc(-c2cc(-c3nc4nc(Cl)c[nH]c-4n3)n[nH]2)c1 ZINC000587067974 EH Annotated Anodyne COc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cn1 ZINC000587067978 EH Annotated Anodyne COc1cncc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587067986 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)Oc3ccc(Cl)cc3C)nc12 ZINC000587068043 EH Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587068087 EH Annotated Bother Cc1cc(Cl)ccc1O[C@H](C)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587068116 EH Annotated Bother COc1nccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587068226 EH Annotated Anodyne COc1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2n1 ZINC000587068248 EH Annotated Anodyne OCCc1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 ZINC000587068312 EH Annotated Anodyne Clc1cccc(-c2cc(-c3nc4ncnc(Cl)c4[nH]3)n[nH]2)c1 ZINC000587068378 EH Annotated Anodyne COc1nccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000587068651 EH Annotated Anodyne COc1nccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000587068654 EH Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587068716 EH Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587068717 EH Annotated Anodyne Cc1cc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587068723 EH Annotated Bother NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587068796 EH Annotated Bother NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587068800 EH Annotated Bother O=[N+]([O-])c1cnc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 ZINC000587068827 EH Annotated Bother C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587068884 EH Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587068885 EH Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587068907 EH Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587068909 EH Annotated Anodyne COc1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2n1 ZINC000587068935 EH Annotated Anodyne COc1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2n1 ZINC000587068937 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc2c1 ZINC000587069194 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc2c1 ZINC000587069196 EH Annotated Anodyne COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1F ZINC000587069304 EH Annotated Anodyne COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1F ZINC000587069305 EH Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587069410 EH Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587069411 EH Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587070000 EH Annotated Bother C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587070001 EH Annotated Bother COc1cncc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000587070204 EH Annotated Anodyne COc1cncc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000587070208 EH Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 ZINC000587070309 EH Annotated Bother COc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cn1 ZINC000587070374 EH Annotated Anodyne COc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cn1 ZINC000587070377 EH Annotated Anodyne COc1cc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2cc1OC ZINC000587070482 EH Annotated Anodyne COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1OC ZINC000587070556 EH Annotated Anodyne COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1OC ZINC000587070558 EH Annotated Anodyne CC(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587070607 EH Annotated Anodyne CC(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587070608 EH Annotated Anodyne O=C1CCc2cc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc3cc2N1 ZINC000587070618 EH Annotated Anodyne COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C ZINC000587070624 EH Annotated Anodyne COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C ZINC000587070625 EH Annotated Anodyne Cc1cc2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] ZINC000587070809 EH Annotated Bother Cc1cc2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] ZINC000587070810 EH Annotated Bother NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587071173 EH Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587071175 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc12 ZINC000587071275 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc12 ZINC000587071276 EH Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc12 ZINC000587072287 EH Annotated Mild O=C(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587072644 EH Annotated Anodyne COc1cc(OC)c2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587072852 EH Annotated Anodyne Cc1c(-c2nc3ccc(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073044 EH Annotated Anodyne Cc1cncc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 ZINC000587073102 EH Annotated Anodyne COC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2n1 ZINC000587073161 EH Annotated Anodyne Cc1c(-c2nc3ccc(C#N)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073263 EH Annotated Mild O=[N+]([O-])c1cncc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 ZINC000587073316 EH Annotated Bother Cc1nccc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 ZINC000587073447 EH Annotated Anodyne Sc1nc(S)c2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2n1 ZINC000587073702 EH Annotated Anodyne Cc1c(-c2nc3cccc(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073708 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc12 ZINC000587073728 EH Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587073740 EH Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587073741 EH Annotated Anodyne Cc1c(-c2nc3ccc(O)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073776 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc12 ZINC000587073784 EH Annotated Anodyne Cc1c(-c2nc3cccc(O)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073929 EH Annotated Anodyne Cc1c(-c2nc3cccc(C#N)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074033 EH Annotated Mild O=[N+]([O-])c1cncc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 ZINC000587074043 EH Annotated Bother COC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2n1 ZINC000587074213 EH Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587074338 EH Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587074339 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000587074342 EH Annotated Bother COC(=O)c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cn1 ZINC000587074349 EH Annotated Anodyne Cc1cnc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1 ZINC000587074357 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 ZINC000587074482 EH Annotated Bother COC(=O)c1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cn1 ZINC000587074519 EH Annotated Anodyne Cc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2n1 ZINC000587074750 EH Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587074799 EH Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587074800 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 ZINC000587074805 EH Annotated Anodyne COc1nccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587074861 EH Annotated Anodyne COc1nccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587074862 EH Annotated Anodyne Cc1c(F)ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587074975 EH Annotated Anodyne Cc1onc(-c2nc3cnncc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587074998 EH Annotated Anodyne COc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2n1 ZINC000587075086 EH Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cncc(Cl)c4[nH]3)ON2)cc1 ZINC000587075093 EH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cncc(Cl)c4[nH]3)ON2)cc1 ZINC000587075094 EH Annotated Anodyne COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cn1 ZINC000587075162 EH Annotated Anodyne COc1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2n1 ZINC000587075187 EH Annotated Anodyne Fc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1F ZINC000587075329 EH Annotated Anodyne Fc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c(F)c1F ZINC000587075401 EH Annotated Anodyne Cc1nccc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 ZINC000587075542 EH Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587075593 EH Annotated Anodyne Cc1c(-c2nc3cnc(Cl)[nH]c-3n2)cnn1-c1ccc(Cl)cc1 ZINC000587075601 EH Annotated Anodyne COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F ZINC000587075633 EH Annotated Anodyne COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F ZINC000587075634 EH Annotated Anodyne Cc1c(-c2nc3ccc(CO)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075636 EH Annotated Anodyne COc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587075777 EH Annotated Anodyne COc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587075778 EH Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc12 ZINC000587075784 EH Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(F)cnc2[nH]1 ZINC000587075790 EH Annotated Anodyne COc1nccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c12 ZINC000587075814 EH Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587075826 EH Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587075884 EH Annotated Anodyne Cc1onc(-c2nc3ncncc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075887 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc12 ZINC000587075890 EH Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587076036 EH Annotated Anodyne N#Cc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587076092 EH Annotated Mild Nc1ccnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 ZINC000587076156 EH Annotated Anodyne Cc1cnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587076166 EH Annotated Anodyne O=[N+]([O-])c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076197 EH Annotated Bother O=[N+]([O-])c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076198 EH Annotated Bother COc1nccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 ZINC000587076213 EH Annotated Anodyne COc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cn1 ZINC000587076226 EH Annotated Anodyne COc1cncc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 ZINC000587076241 EH Annotated Anodyne Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076279 EH Annotated Anodyne Cc1c(-c2nc3nc(Cl)c[nH]c-3n2)cnn1-c1ccc(Cl)cc1 ZINC000587076302 EH Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587076316 EH Annotated Anodyne Clc1ccc(-n2cc(-c3nc4ccnc(Cl)c4[nH]3)nn2)cc1 ZINC000587076348 EH Annotated Anodyne Cc1onc(-c2nc3ncc[nH]c-3n2)c1COc1ccc(Cl)cc1 ZINC000587076353 EH Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cc(Cl)cnc4[nH]3)nn2)cc1 ZINC000587076358 EH Annotated Anodyne COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1F ZINC000587076400 EH Annotated Anodyne COc1cncc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587076420 EH Annotated Anodyne COc1cncc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587076421 EH Annotated Anodyne Clc1ccc(-n2cc(-c3nc4c(Cl)ccnc4[nH]3)nn2)cc1 ZINC000587076435 EH Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cncc(Cl)c4[nH]3)nn2)cc1 ZINC000587076441 EH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cc5c(cc4[nH]3)OCO5)ON2)cc1 ZINC000587076498 EH Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cc5c(cc4[nH]3)OCO5)ON2)cc1 ZINC000587076500 EH Annotated Anodyne Cc1cc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c(C)n1 ZINC000587076551 EH Annotated Anodyne Cc1cc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c(C)n1 ZINC000587076562 EH Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587076564 EH Annotated Anodyne Cc1c(-c2nc3c(Cl)ncnc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076679 EH Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587076682 EH Annotated Anodyne Cc1c(-c2nc3cc(F)cnc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076687 EH Annotated Anodyne COc1cncc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c12 ZINC000587076696 EH Annotated Anodyne Cc1ccnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 ZINC000587076736 EH Annotated Anodyne Cc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2n1 ZINC000587076740 EH Annotated Anodyne Clc1ccc(-n2cc(-c3nc4ccc(Cl)nc4[nH]3)nn2)cc1 ZINC000587076810 EH Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cc(Cl)ncc4[nH]3)nn2)cc1 ZINC000587076818 EH Annotated Anodyne COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1C ZINC000587076843 EH Annotated Anodyne Fc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1F ZINC000587076890 EH Annotated Anodyne N#Cc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C#N ZINC000587076928 EH Annotated Mild N#Cc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C#N ZINC000587076929 EH Annotated Mild Clc1ccc(C2=C[C@H](c3nc4ccc(Cl)nc4[nH]3)ON2)cc1 ZINC000587076937 EH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4ccc(Cl)nc4[nH]3)ON2)cc1 ZINC000587076938 EH Annotated Anodyne Oc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587076941 EH Annotated Anodyne COc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076980 EH Annotated Anodyne COc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076983 EH Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cc(Cl)cnc4[nH]3)ON2)cc1 ZINC000587076984 EH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)cnc4[nH]3)ON2)cc1 ZINC000587076985 EH Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4c(Cl)ccnc4[nH]3)ON2)cc1 ZINC000587077059 EH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4c(Cl)ccnc4[nH]3)ON2)cc1 ZINC000587077060 EH Annotated Anodyne Fc1cnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587077275 EH Annotated Anodyne N#Cc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587077284 EH Annotated Mild O=[N+]([O-])c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077285 EH Annotated Bother O=[N+]([O-])c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077286 EH Annotated Bother Cc1cncc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587077296 EH Annotated Anodyne Oc1nccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587077428 EH Annotated Anodyne Oc1nccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587077432 EH Annotated Anodyne Nc1ccnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587077443 EH Annotated Anodyne Nc1ccnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587077444 EH Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(O)nccc2[nH]1 ZINC000587077507 EH Annotated Anodyne COc1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077531 EH Annotated Anodyne COc1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077532 EH Annotated Anodyne O=C(O)c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077556 EH Annotated Anodyne O=C(O)c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077557 EH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cc5cn[nH]c5cc4[nH]3)ON2)cc1 ZINC000587077562 EH Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cc5cn[nH]c5cc4[nH]3)ON2)cc1 ZINC000587077563 EH Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4ccnc(Cl)c4[nH]3)ON2)cc1 ZINC000587077713 EH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4ccnc(Cl)c4[nH]3)ON2)cc1 ZINC000587077715 EH Annotated Anodyne O=C(O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587077754 EH Annotated Anodyne O=C(O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587077755 EH Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cc(Cl)ncc4[nH]3)ON2)cc1 ZINC000587077762 EH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)ncc4[nH]3)ON2)cc1 ZINC000587077763 EH Annotated Anodyne N=c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c[nH]1 ZINC000587077895 EH Annotated Clean Oc1nncc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078444 EH Annotated Clean N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)ncc2[nH]1 ZINC000587078703 EH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)ncc2[nH]1 ZINC000587078705 EH Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n1 ZINC000587078826 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n1 ZINC000587078828 EH Annotated Anodyne N#Cc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587078844 EH Annotated Mild N#Cc1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587078845 EH Annotated Mild N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)ccnc2[nH]1 ZINC000587078912 EH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)ccnc2[nH]1 ZINC000587078913 EH Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)n1 ZINC000587078915 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)n1 ZINC000587078916 EH Annotated Anodyne Cc1ccnc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 ZINC000587078930 EH Annotated Anodyne Cc1ccnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 ZINC000587078933 EH Annotated Anodyne Clc1ccc2ccn(Cc3nc4cc5c(cc4[nH]3)OCO5)c2c1 ZINC000587078943 EH Annotated Anodyne Cc1nccc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 ZINC000587078960 EH Annotated Anodyne Cc1nccc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 ZINC000587078961 EH Annotated Anodyne C[C@H](c1nc2cccc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587078965 EH Annotated Anodyne C[C@@H](c1nc2cccc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587078968 EH Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c(C)n1 ZINC000587079163 EH Annotated Anodyne Cc1cc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c(C)n1 ZINC000587079168 EH Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(Cl)c2[nH]1 ZINC000587079240 EH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(Cl)c2[nH]1 ZINC000587079241 EH Annotated Anodyne Oc1ncnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 ZINC000587079326 EH Annotated Clean N[C@@H](N=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587079388 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587079389 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587079390 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587079391 EH Annotated Anodyne C[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587079424 EH Annotated Anodyne C[C@H](c1nc2cc(F)cc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587079425 EH Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)n1 ZINC000587079566 EH Annotated Mild CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000587079583 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000587079584 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)n1 ZINC000587079593 EH Annotated Mild O=C1CCc2cc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2N1 ZINC000587079652 EH Annotated Anodyne O=C1CCc2cc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2N1 ZINC000587079654 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587079726 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587079729 EH Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc(Cl)cn1 ZINC000587079809 EH Annotated Bother C[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc(Cl)cn1 ZINC000587079810 EH Annotated Bother Cc1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 ZINC000587079827 EH Annotated Anodyne Cc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 ZINC000587079828 EH Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)n1 ZINC000587079850 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)n1 ZINC000587079854 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)n1 ZINC000587079856 EH Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)n1 ZINC000587079860 EH Annotated Anodyne C[C@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587079870 EH Annotated Mild OCCc1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587079874 EH Annotated Anodyne C[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587079879 EH Annotated Mild Clc1ccc2ccn(Cc3nc4cc5c(cc4[nH]3)OCCO5)c2c1 ZINC000587079902 EH Annotated Anodyne N=c1[nH]ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587080005 EH Annotated Clean CN(C)C(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587080020 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587080021 EH Annotated Anodyne O=C(O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587080053 EH Annotated Anodyne FC(F)(F)c1ncc2nc([C@@H]3Cc4cc(Cl)ccc4O3)nc-2[nH]1 ZINC000587080054 EH Annotated Anodyne FC(F)(F)c1ncc2nc([C@H]3Cc4cc(Cl)ccc4O3)nc-2[nH]1 ZINC000587080056 EH Annotated Anodyne C[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)n1cc(Cl)cn1 ZINC000587080085 EH Annotated Anodyne C[C@H](c1nc2ccc(Br)c(F)c2[nH]1)n1cc(Cl)cn1 ZINC000587080087 EH Annotated Anodyne C[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc(Cl)cn1 ZINC000587080110 EH Annotated Anodyne C[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc(Cl)cn1 ZINC000587080111 EH Annotated Anodyne O=C(O)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587080147 EH Annotated Anodyne Cc1cncc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587080231 EH Annotated Anodyne Cc1cncc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587080232 EH Annotated Anodyne Sc1nc(S)c2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2n1 ZINC000587080245 EH Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Cl)nc2[nH]1 ZINC000587080268 EH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Cl)nc2[nH]1 ZINC000587080270 EH Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCO4)O2 ZINC000587080414 EH Annotated Anodyne O=C(CCCc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Cl)cn1 ZINC000587080418 EH Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCO4)O2 ZINC000587080422 EH Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)n1 ZINC000587080548 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)n1 ZINC000587080549 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587080661 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587080662 EH Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)cnc2[nH]1 ZINC000587080689 EH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)cnc2[nH]1 ZINC000587080690 EH Annotated Anodyne C[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080695 EH Annotated Anodyne C[C@H](c1nc2cc(Br)c(F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080696 EH Annotated Anodyne C[C@H](c1nc2ccc(Br)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080698 EH Annotated Anodyne C[C@@H](c1nc2ccc(Br)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080701 EH Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)n1 ZINC000587080702 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)n1 ZINC000587080704 EH Annotated Anodyne C[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587080750 EH Annotated Anodyne C[C@H](c1nc2ccc(F)c(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587080751 EH Annotated Anodyne O=C(O)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1F ZINC000587080765 EH Annotated Anodyne O=C(O)c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1F ZINC000587080766 EH Annotated Anodyne COc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1OC ZINC000587080772 EH Annotated Anodyne COc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1OC ZINC000587080773 EH Annotated Anodyne C[C@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080791 EH Annotated Anodyne C[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080792 EH Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587080796 EH Annotated Anodyne COC(=O)c1cccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587080799 EH Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)n1cc(Cl)cn1 ZINC000587080818 EH Annotated Anodyne C[C@H](c1nc2cc(Br)cc(F)c2[nH]1)n1cc(Cl)cn1 ZINC000587080819 EH Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)n1 ZINC000587080869 EH Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)n1 ZINC000587080870 EH Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cncc(Cl)c2[nH]1 ZINC000587080872 EH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cncc(Cl)c2[nH]1 ZINC000587080874 EH Annotated Anodyne Cc1cnc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587080877 EH Annotated Anodyne Cc1cnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 ZINC000587080878 EH Annotated Anodyne COc1cccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 ZINC000587081009 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587081111 EH Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587081112 EH Annotated Mild O=C(O)c1cc(F)cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587081120 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587081121 EH Annotated Anodyne Oc1nc2cc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3cc2[nH]1 ZINC000587081138 EH Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(O)cc2[nH]1 ZINC000587081143 EH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(O)cc2[nH]1 ZINC000587081144 EH Annotated Anodyne COc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587081177 EH Annotated Anodyne COc1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587081179 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587081223 EH Annotated Bother O=C(O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 ZINC000587081238 EH Annotated Anodyne Cc1cc2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c(C)n1 ZINC000587081240 EH Annotated Anodyne N#Cc1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587081242 EH Annotated Mild N#Cc1cccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587081244 EH Annotated Mild N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(O)c2[nH]1 ZINC000587081245 EH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(O)c2[nH]1 ZINC000587081246 EH Annotated Anodyne Clc1cnn2c(-c3nc4ccncc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081303 EH Annotated Anodyne COc1cccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587081342 EH Annotated Anodyne COc1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587081343 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 ZINC000587081346 EH Annotated Bother O=C(CCCc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cn1 ZINC000587081360 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1F ZINC000587081394 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1F ZINC000587081395 EH Annotated Bother N#Cc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1C#N ZINC000587081408 EH Annotated Mild COC(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587081441 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587081442 EH Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cnccc4[nH]3)c2)c1 ZINC000587081471 EH Annotated Anodyne O=C(CCCc1nc2cncc(Cl)c2[nH]1)c1ccc(Cl)cn1 ZINC000587081504 EH Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cccnc4[nH]3)c2)c1 ZINC000587081581 EH Annotated Anodyne O=C(CCCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081695 EH Annotated Anodyne O=C(CCCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081711 EH Annotated Bother Clc1cnn2c(-c3nc4ncccc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081797 EH Annotated Anodyne N#Cc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1C#N ZINC000587081839 EH Annotated Mild O=C(CCCc1nc2ccc(Cl)nc2[nH]1)c1ccc(Cl)cn1 ZINC000587081862 EH Annotated Anodyne O=C(CCCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Cl)cn1 ZINC000587081903 EH Annotated Anodyne Cc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2n1 ZINC000587082095 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 ZINC000587082122 EH Annotated Anodyne Fc1cnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587082144 EH Annotated Anodyne Cc1nccc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 ZINC000587082472 EH Annotated Anodyne Cc1cnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587082508 EH Annotated Anodyne O=C(CCCc1nc2cc(Cl)ncc2[nH]1)c1ccc(Cl)cn1 ZINC000587082512 EH Annotated Anodyne Oc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587082519 EH Annotated Anodyne COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1F ZINC000587082529 EH Annotated Anodyne O=C(CCCc1nc2c(Cl)ccnc2[nH]1)c1ccc(Cl)cn1 ZINC000587082571 EH Annotated Anodyne O=C(CCCc1nc2cc(Cl)cnc2[nH]1)c1ccc(Cl)cn1 ZINC000587082575 EH Annotated Anodyne N=c1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c[nH]1 ZINC000587082674 EH Annotated Anodyne Oc1nncc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587082746 EH Annotated Anodyne Cc1cncc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082760 EH Annotated Anodyne Oc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082806 EH Annotated Anodyne N#Cc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587082807 EH Annotated Mild O=C(CCCc1nc2ccnc(Cl)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082928 EH Annotated Anodyne Oc1ncnc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083091 EH Annotated Anodyne N=c1[nH]ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083502 EH Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(Cl)n1 ZINC000587083558 EH Annotated Anodyne COc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(Cl)n1 ZINC000587083591 EH Annotated Anodyne COc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(Cl)n1 ZINC000587083603 EH Annotated Anodyne COc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(Cl)n1 ZINC000587083675 EH Annotated Bother COc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(Cl)n1 ZINC000587083783 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 ZINC000587083938 EH Annotated Mild COc1cc(OC)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 ZINC000587083955 EH Annotated Anodyne Clc1cccc(C2(c3nc4cncc(Br)c4[nH]3)CC2)n1 ZINC000587084097 EH Annotated Anodyne COc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1OC ZINC000587084114 EH Annotated Anodyne Clc1cccc(C2(c3nc4c(Br)ccnc4[nH]3)CC2)n1 ZINC000587084164 EH Annotated Anodyne O=C(O)c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1F ZINC000587084169 EH Annotated Anodyne COc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(Cl)n1 ZINC000587084263 EH Annotated Anodyne COc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(Cl)n1 ZINC000587084268 EH Annotated Anodyne COc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(Cl)n1 ZINC000587084297 EH Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(Cl)n1 ZINC000587084320 EH Annotated Anodyne FC(F)(F)c1ncc2nc(-c3ccc(Cl)c(Cl)n3)nc-2[nH]1 ZINC000587084371 EH Annotated Anodyne CCOC(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587084385 EH Annotated Anodyne Clc1cccc(C2(c3nc4ccc(Br)nc4[nH]3)CC2)n1 ZINC000587084457 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 ZINC000587084458 EH Annotated Bother O=C(O)c1cc(F)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 ZINC000587084488 EH Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)nn1 ZINC000587084495 EH Annotated Anodyne Cc1cc(F)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587084529 EH Annotated Anodyne Clc1cccc(C2(c3nc4cc(Br)cnc4[nH]3)CC2)n1 ZINC000587084535 EH Annotated Anodyne Cc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084542 EH Annotated Anodyne Sc1nc(S)c2nc(-c3cc(Cl)nc4ccccc34)[nH]c2n1 ZINC000587084571 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2n1 ZINC000587084603 EH Annotated Anodyne Fc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1F ZINC000587084642 EH Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1F ZINC000587084670 EH Annotated Bother Clc1cccc(C2(c3nc4ccnc(Br)c4[nH]3)CC2)n1 ZINC000587084684 EH Annotated Anodyne Clc1cccc(C2(c3nc4cc(Br)ncc4[nH]3)CC2)n1 ZINC000587084731 EH Annotated Anodyne Clc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCCCO5)CC2)n1 ZINC000587084778 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 ZINC000587084823 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 ZINC000587084928 EH Annotated Bother Cc1cc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1[N+](=O)[O-] ZINC000587084975 EH Annotated Bother O=[N+]([O-])c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1F ZINC000587085038 EH Annotated Bother Clc1ccc(-c2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)nn1 ZINC000587085140 EH Annotated Anodyne O=C1CCc2cc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3cc2N1 ZINC000587085143 EH Annotated Anodyne CCc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587085150 EH Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)nn1 ZINC000587085186 EH Annotated Anodyne Cc1c(F)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085282 EH Annotated Anodyne Fc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085387 EH Annotated Anodyne Fc1cc(F)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085499 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 ZINC000587085580 EH Annotated Bother O=[N+]([O-])c1cncc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 ZINC000587085582 EH Annotated Bother Sc1nc(S)c2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2n1 ZINC000587085600 EH Annotated Anodyne Fc1cnc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 ZINC000587085615 EH Annotated Anodyne Fc1c(Br)cc2nc(-c3cnc(Cl)nc3)[nH]c2c1F ZINC000587085670 EH Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cnc(Cl)nc3)[nH]c2cn1 ZINC000587085686 EH Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 ZINC000587085710 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc12 ZINC000587085781 EH Annotated Anodyne Fc1cc(Br)cc2nc(-c3cnc(Cl)nc3)[nH]c12 ZINC000587085851 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 ZINC000587085870 EH Annotated Bother Sc1nc(S)c2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2n1 ZINC000587085897 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 ZINC000587085917 EH Annotated Bother Fc1c(Br)ccc2nc(-c3cnc(Cl)nc3)[nH]c12 ZINC000587086072 EH Annotated Anodyne Fc1cc2[nH]c(-c3cnc(Cl)nc3)nc2cc1Br ZINC000587086074 EH Annotated Anodyne Fc1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1Br ZINC000587086159 EH Annotated Anodyne O=C1CCc2cc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3cc2N1 ZINC000587086174 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2n1 ZINC000587086240 EH Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587086496 EH Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587086497 EH Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587086500 EH Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587086501 EH Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587086529 EH Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587086530 EH Annotated Reactive COc1nccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 ZINC000587086567 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2n1 ZINC000587086754 EH Annotated Anodyne COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cn1 ZINC000587086764 EH Annotated Anodyne COc1cncc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 ZINC000587086784 EH Annotated Anodyne Sc1nc(S)c2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2n1 ZINC000587086814 EH Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587086848 EH Annotated Anodyne Fc1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587086898 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](Br)C(C)(C)F)nc2c1 ZINC000587086921 EH Annotated Reactive COc1cc(OC)c2[nH]c([C@H](Br)C(C)(C)F)nc2c1 ZINC000587086922 EH Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587086982 EH Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587086983 EH Annotated Reactive COc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1OC ZINC000587087002 EH Annotated Reactive COc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1OC ZINC000587087004 EH Annotated Reactive COC(=O)c1cccc2nc([C@H](Br)C(C)(C)F)[nH]c12 ZINC000587087016 EH Annotated Reactive COC(=O)c1cccc2nc([C@@H](Br)C(C)(C)F)[nH]c12 ZINC000587087017 EH Annotated Reactive CC(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587087047 EH Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587087055 EH Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587087056 EH Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587087120 EH Annotated Reactive Cc1cc(F)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587087122 EH Annotated Anodyne CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587087123 EH Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587087277 EH Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587087278 EH Annotated Reactive CCc1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587087283 EH Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587087591 EH Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587087594 EH Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587087666 EH Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587087667 EH Annotated Reactive COC(=O)c1ccnc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc12 ZINC000587087684 EH Annotated Anodyne COc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Cl ZINC000587087754 EH Annotated Anodyne COc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Cl ZINC000587087755 EH Annotated Anodyne Cc1cc2[nH]c([C@H](Br)C(C)(C)F)nc2cc1[N+](=O)[O-] ZINC000587087789 EH Annotated Reactive Cc1cc2[nH]c([C@@H](Br)C(C)(C)F)nc2cc1[N+](=O)[O-] ZINC000587087790 EH Annotated Reactive CCOC(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587087901 EH Annotated Reactive CCOC(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587087903 EH Annotated Reactive Fc1cc(F)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587088171 EH Annotated Anodyne Fc1cc2nc(C(F)(Br)Br)[nH]c2cc1F ZINC000587088182 EH Annotated Anodyne Clc1[nH]c2ccccc2c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587088233 EH Annotated Anodyne COc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2n1 ZINC000587088241 EH Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587088360 EH Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587088364 EH Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587088399 EH Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587088404 EH Annotated Anodyne Fc1cccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587088413 EH Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587088477 EH Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587088500 EH Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587088804 EH Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587088805 EH Annotated Anodyne Fc1ccc2nc(C(F)(Br)Br)[nH]c2c1F ZINC000587088853 EH Annotated Anodyne FC(F)C(F)(F)c1nc2cccc(I)c2[nH]1 ZINC000587088920 EH Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587089005 EH Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587089006 EH Annotated Anodyne Cc1c(F)ccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587089025 EH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(F)C(F)F)[nH]c21 ZINC000587089106 EH Annotated Clean Cc1cc2nc(C(F)(Br)Br)[nH]c2cc1F ZINC000587089194 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 ZINC000587089266 EH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(C(F)(F)C(F)F)[nH]c12 ZINC000587089286 EH Annotated Bother FC(F)C(F)(F)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587089291 EH Annotated Anodyne FC(F)(F)Oc1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 ZINC000587089369 EH Annotated Anodyne Oc1c(Br)ccc2nc(C(F)(F)c3ccccn3)[nH]c12 ZINC000587089404 EH Annotated Anodyne FC(F)C(F)(F)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587089445 EH Annotated Mild FC(F)C(F)(F)c1nc2ccc(I)cc2[nH]1 ZINC000587089480 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c(C(F)(F)c3ccccn3)nc12 ZINC000587089493 EH Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2ccnc(Br)c2[nH]1 ZINC000587089617 EH Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2ccnc(Br)c2[nH]1 ZINC000587089620 EH Annotated Anodyne Fc1c(Br)ccc2nc(C(F)(F)c3ccccn3)[nH]c12 ZINC000587089644 EH Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2cc(Br)ncc2[nH]1 ZINC000587089668 EH Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2cc(Br)ncc2[nH]1 ZINC000587089669 EH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(C(F)(F)c3ccccn3)nc1-2 ZINC000587089684 EH Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2cc(Br)cnc2[nH]1 ZINC000587089743 EH Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2cc(Br)cnc2[nH]1 ZINC000587089744 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 ZINC000587089783 EH Annotated Mild Fc1c(Br)cc2nc(C(F)(F)C(F)F)[nH]c2c1F ZINC000587089802 EH Annotated Anodyne FC(F)C(F)(F)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587089823 EH Annotated Anodyne Cc1nc2[nH]c(C(F)(F)c3ccccn3)nc2cc1Br ZINC000587089842 EH Annotated Anodyne Fc1cc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 ZINC000587089968 EH Annotated Anodyne FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccnc2[nH]1 ZINC000587090152 EH Annotated Mild Fc1cc2[nH]c(C(F)(F)c3ccccn3)nc2cc1Br ZINC000587090163 EH Annotated Anodyne FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnccc2[nH]1 ZINC000587090195 EH Annotated Mild FC(F)(F)[C@@](F)(Cl)c1nc2cncc(Br)c2[nH]1 ZINC000587090238 EH Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2cncc(Br)c2[nH]1 ZINC000587090239 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2c1 ZINC000587090241 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc2c1 ZINC000587090244 EH Annotated Anodyne Cc1nc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1Br ZINC000587090296 EH Annotated Anodyne Cc1nc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1Br ZINC000587090297 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 ZINC000587090350 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 ZINC000587090351 EH Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2ccc(Br)nc2[nH]1 ZINC000587090386 EH Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2ccc(Br)nc2[nH]1 ZINC000587090387 EH Annotated Anodyne FC(F)(F)Oc1cccc2nc(C(F)(F)c3ccccn3)[nH]c12 ZINC000587090585 EH Annotated Anodyne N#Cc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1C(F)(F)F ZINC000587090594 EH Annotated Mild Fc1cc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1-n1cccn1 ZINC000587090607 EH Annotated Anodyne Fc1cc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1-n1cccn1 ZINC000587090608 EH Annotated Anodyne Fc1cc(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c12 ZINC000587090639 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@](F)(Cl)C(F)(F)F)nc12 ZINC000587090684 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc12 ZINC000587090685 EH Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2c(Br)ccnc2[nH]1 ZINC000587090690 EH Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2c(Br)ccnc2[nH]1 ZINC000587090691 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587090762 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587090763 EH Annotated Anodyne Fc1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1Br ZINC000587090782 EH Annotated Anodyne COc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1F ZINC000587090865 EH Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3c(Cl)ncnc3[nH]2)ccn1 ZINC000587090995 EH Annotated Anodyne FC(F)(F)COc1cc(-c2nc3ccnc(Cl)c3[nH]2)ccn1 ZINC000587091006 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1F ZINC000587091113 EH Annotated Bother Fc1cnc(Cl)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc12 ZINC000587091219 EH Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cncc(Cl)c3[nH]2)ccn1 ZINC000587091241 EH Annotated Anodyne Fc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c(F)c1F ZINC000587091297 EH Annotated Anodyne FC(F)(F)COc1cc(-c2nc3c(Cl)ccnc3[nH]2)ccn1 ZINC000587091359 EH Annotated Anodyne Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1C ZINC000587091371 EH Annotated Bother O=[N+]([O-])c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 ZINC000587091374 EH Annotated Bother Cc1cc2[nH]c(-c3ncoc3CCC(F)(F)F)nc2cc1[N+](=O)[O-] ZINC000587091480 EH Annotated Bother Fc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1F ZINC000587091541 EH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(Cl)cc3[nH]2)nn1CC(F)(F)F ZINC000587091545 EH Annotated Bother Cc1cnc(Cl)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc12 ZINC000587091576 EH Annotated Anodyne COc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1C ZINC000587091580 EH Annotated Anodyne Cc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1C ZINC000587091596 EH Annotated Bother OCc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587091612 EH Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc12 ZINC000587091623 EH Annotated Anodyne COc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1OC ZINC000587092000 EH Annotated Anodyne FC(F)(F)COc1cc(-c2nc3ccc(Cl)nc3[nH]2)ccn1 ZINC000587092073 EH Annotated Anodyne O=C(O)c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1F ZINC000587092079 EH Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccn1 ZINC000587092094 EH Annotated Anodyne Fc1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1F ZINC000587092101 EH Annotated Anodyne COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cn1 ZINC000587092122 EH Annotated Anodyne Fc1cnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 ZINC000587092164 EH Annotated Anodyne Fc1cc(F)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 ZINC000587092175 EH Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587092195 EH Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccccc2[nH]1)C(F)(F)F ZINC000587092388 EH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccccc2[nH]1)C(F)(F)F ZINC000587092389 EH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cccc(Cl)c3[nH]2)nn1CC(F)(F)F ZINC000587092461 EH Annotated Bother FC(F)(F)COc1cc(-c2nc3cc(Cl)ncc3[nH]2)ccn1 ZINC000587092514 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 ZINC000587092524 EH Annotated Anodyne COc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1F ZINC000587092557 EH Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cnc(Cl)[nH]c-3n2)ccn1 ZINC000587092569 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 ZINC000587092575 EH Annotated Mild COc1cc(OC)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 ZINC000587092601 EH Annotated Anodyne COc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2n1 ZINC000587092664 EH Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(Cl)cnc3[nH]2)ccn1 ZINC000587092672 EH Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587092773 EH Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587092786 EH Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587093137 EH Annotated Bother Cc1ccc(C)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 ZINC000587093232 EH Annotated Bother FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C[C@@H]3C(F)(F)F)nc1-2 ZINC000587093373 EH Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587093415 EH Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587093416 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2c1 ZINC000587093433 EH Annotated Mild O=C(O)c1cc(Br)cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 ZINC000587093557 EH Annotated Anodyne COc1nccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587093695 EH Annotated Anodyne Oc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587093709 EH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccc(C)c3[nH]2)C(F)(F)F)n1 ZINC000587093792 EH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cccc(C)c3[nH]2)C(F)(F)F)n1 ZINC000587093794 EH Annotated Anodyne Oc1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587093959 EH Annotated Anodyne COc1cncc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587094010 EH Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587094124 EH Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587094125 EH Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c32)n1 ZINC000587094202 EH Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c32)n1 ZINC000587094203 EH Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587094346 EH Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587094347 EH Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587094412 EH Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587094414 EH Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 ZINC000587094604 EH Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587094742 EH Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587094743 EH Annotated Anodyne Oc1ncnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 ZINC000587094795 EH Annotated Anodyne Nc1ncnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 ZINC000587094830 EH Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587094904 EH Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587094905 EH Annotated Anodyne Cc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587094927 EH Annotated Anodyne Cc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587094928 EH Annotated Anodyne Oc1nncc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587094957 EH Annotated Anodyne Cc1ccc(Cc2nc3nc(Cl)c[nH]c-3n2)cc1C(F)(F)F ZINC000587095046 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c12 ZINC000587095070 EH Annotated Mild Cc1ccc(Cc2nc3c(Cl)ncnc3[nH]2)cc1C(F)(F)F ZINC000587095074 EH Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 ZINC000587095114 EH Annotated Anodyne Cc1ccc(Cc2nc3cnc(Cl)[nH]c-3n2)cc1C(F)(F)F ZINC000587095224 EH Annotated Anodyne Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C(F)(F)F)c1 ZINC000587095330 EH Annotated Anodyne N#Cc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1C#N ZINC000587095342 EH Annotated Mild Cc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1C(F)(F)F ZINC000587095354 EH Annotated Bother Oc1nncc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587095389 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 ZINC000587095500 EH Annotated Anodyne COc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1OC ZINC000587095530 EH Annotated Anodyne COc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(C(F)(F)F)c1 ZINC000587095536 EH Annotated Anodyne Cc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1C(F)(F)F ZINC000587095583 EH Annotated Bother Nc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095633 EH Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2n1 ZINC000587095637 EH Annotated Anodyne Nc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095648 EH Annotated Anodyne Nc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095649 EH Annotated Anodyne Nc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095678 EH Annotated Bother COC(=O)c1ccnc2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc12 ZINC000587095726 EH Annotated Anodyne Nc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C(F)(F)F)c1 ZINC000587095729 EH Annotated Anodyne Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(C(F)(F)F)c1 ZINC000587095731 EH Annotated Anodyne COc1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(C(F)(F)F)c1 ZINC000587095746 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 ZINC000587095754 EH Annotated Anodyne COc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1F ZINC000587095758 EH Annotated Anodyne COc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(C(F)(F)F)c1 ZINC000587095763 EH Annotated Anodyne COC(Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)OC ZINC000587095772 EH Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(O)nn4)nc13)-c1ccccc1C2=O ZINC000587095803 EH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2c1 ZINC000587095805 EH Annotated Anodyne Nc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C(F)(F)F)c1 ZINC000587095927 EH Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c(=O)cn4)nc13)-c1ccccc1C2=O ZINC000587095931 EH Annotated Anodyne COC(=O)[C@@H](OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096175 EH Annotated Anodyne COC(=O)[C@H](OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096179 EH Annotated Anodyne COCC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096184 EH Annotated Anodyne Cc1ccc2c3c(cc(CCn4cncn4)nc13)-c1ccccc1C2=O ZINC000587096186 EH Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(CO)on4)nc13)-c1ccccc1C2=O ZINC000587096195 EH Annotated Anodyne Cc1ccc2c3c(cc(Cn4cccn4)nc13)-c1ccccc1C2=O ZINC000587096198 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCN(C)CC4)-c1ccccc1C2=O ZINC000587096302 EH Annotated Anodyne COC(=O)c1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cn1 ZINC000587096418 EH Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cn1 ZINC000587096419 EH Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4CCCNC4=O)nc13)-c1ccccc1C2=O ZINC000587096486 EH Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CCCNC4=O)nc13)-c1ccccc1C2=O ZINC000587096487 EH Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587096652 EH Annotated Anodyne COC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587096656 EH Annotated Anodyne COC(=O)C1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 ZINC000587096794 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc12 ZINC000587096861 EH Annotated Anodyne COc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C(F)(F)F)c1 ZINC000587096889 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2n1 ZINC000587096997 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2n1 ZINC000587096999 EH Annotated Anodyne Cc1ccc2c3c(cc(-c4ncc[nH]c4=N)nc13)-c1ccccc1C2=O ZINC000587097023 EH Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cn1 ZINC000587097227 EH Annotated Anodyne Cc1c(-c2ncnn2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097234 EH Annotated Anodyne COC(=O)C[C@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587097331 EH Annotated Anodyne COC(=O)C[C@@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587097333 EH Annotated Anodyne COC(=O)Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097337 EH Annotated Anodyne C[C@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1ccccc1C(F)(F)F ZINC000587097367 EH Annotated Anodyne C[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1ccccc1C(F)(F)F ZINC000587097369 EH Annotated Anodyne Cc1ccc2c3c(cc(-c4ncnn4C)nc13)-c1ccccc1C2=O ZINC000587097374 EH Annotated Anodyne Cc1ccc2c3c(cc(-c4cnn(C)c4N)nc13)-c1ccccc1C2=O ZINC000587097375 EH Annotated Anodyne COc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 ZINC000587097652 EH Annotated Bother COC(=O)CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097663 EH Annotated Anodyne Cc1ccc2c3c(cc(CN4CCOCC4)nc13)-c1ccccc1C2=O ZINC000587097833 EH Annotated Anodyne COC(=O)Cc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000587097868 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)c3ccccc3C(F)(F)F)nc12 ZINC000587097875 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)c3ccccc3C(F)(F)F)nc12 ZINC000587097878 EH Annotated Anodyne Cc1c(Cn2cncn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097914 EH Annotated Anodyne CC(=O)OC(=O)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000587098190 EH Annotated Reactive Cc1ccc2c3c(cc([C@@H](C)n4cncn4)nc13)-c1ccccc1C2=O ZINC000587098314 EH Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)n4cncn4)nc13)-c1ccccc1C2=O ZINC000587098316 EH Annotated Anodyne COC(=O)C1=Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587098367 EH Annotated Anodyne CCOC(=O)C(=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098519 EH Annotated Anodyne Fc1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1C(F)(F)F ZINC000587098578 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1 ZINC000587098589 EH Annotated Bother COC(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2n1 ZINC000587098646 EH Annotated Anodyne COC(=O)[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098790 EH Annotated Anodyne COC(=O)[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098791 EH Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098855 EH Annotated Anodyne COC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098859 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 ZINC000587098886 EH Annotated Bother COC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098926 EH Annotated Anodyne COC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098931 EH Annotated Anodyne COC(=O)/C=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098937 EH Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098980 EH Annotated Anodyne CCOC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587098982 EH Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c(=N)o4)nc13)-c1ccccc1C2=O ZINC000587099042 EH Annotated Anodyne C[C@H](c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1C(F)(F)F ZINC000587099046 EH Annotated Anodyne C[C@@H](c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1C(F)(F)F ZINC000587099047 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C[N+](=O)[O-])C4)-c1ccccc1C2=O ZINC000587099192 EH Annotated Bother Cc1ccc2c3c(c4c(nc13)C[C@@H](C[N+](=O)[O-])C4)-c1ccccc1C2=O ZINC000587099193 EH Annotated Bother Cc1ccc2c3c(cc(-c4cc[nH]c(=N)n4)nc13)-c1ccccc1C2=O ZINC000587099222 EH Annotated Anodyne CCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099318 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](O)C4)-c1ccccc1C2=O ZINC000587100543 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@H](O)C4)-c1ccccc1C2=O ZINC000587100544 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](O)C4)-c1ccccc1C2=O ZINC000587100545 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@@H](O)C4)-c1ccccc1C2=O ZINC000587100546 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)CC4)-c1ccccc1C2=O ZINC000587100556 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](C(=O)O)CC4)-c1ccccc1C2=O ZINC000587100557 EH Annotated Anodyne CCc1nc2c(C)ccc3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000587100684 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](CO)C4)-c1ccccc1C2=O ZINC000587100714 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](CO)C4)-c1ccccc1C2=O ZINC000587100715 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]4C(=O)O)-c1ccccc1C2=O ZINC000587100891 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H]4C(=O)O)-c1ccccc1C2=O ZINC000587100893 EH Annotated Anodyne Cc1ccc2c3c(cc(C4(C(=O)O)CC4)nc13)-c1ccccc1C2=O ZINC000587101373 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](CC(=O)O)C4)-c1ccccc1C2=O ZINC000587101427 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](CC(=O)O)C4)-c1ccccc1C2=O ZINC000587101429 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587101597 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587101599 EH Annotated Anodyne COC(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101601 EH Annotated Reactive COC(=O)[C@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101603 EH Annotated Reactive Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587101781 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587101783 EH Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4CCOC4=O)nc13)-c1ccccc1C2=O ZINC000587101818 EH Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CCOC4=O)nc13)-c1ccccc1C2=O ZINC000587101820 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C(C(=O)O)C4)-c1ccccc1C2=O ZINC000587102317 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](CO)CC4)-c1ccccc1C2=O ZINC000587102624 EH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](CO)CC4)-c1ccccc1C2=O ZINC000587102625 EH Annotated Anodyne O=C1c2ccccc2-c2cc([C@@]3(F)CCOC3=O)nc3cccc1c23 ZINC000587103175 EH Annotated Anodyne O=C1c2ccccc2-c2cc([C@]3(F)CCOC3=O)nc3cccc1c23 ZINC000587103176 EH Annotated Anodyne O=CNC[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587103295 EH Annotated Anodyne O=CNC[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587103296 EH Annotated Anodyne CCOC(=O)[C@H](N=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103785 EH Annotated Anodyne CCOC(=O)[C@@H](N=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103793 EH Annotated Anodyne Cc1cnn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587103985 EH Annotated Anodyne COC(=O)[C@@H](F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587104079 EH Annotated Anodyne COC(=O)[C@H](F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587104080 EH Annotated Anodyne O=C1c2ccccc2-c2cc([C@@]3(Cl)CCOC3=O)nc3cccc1c23 ZINC000587104112 EH Annotated Anodyne O=C1c2ccccc2-c2cc([C@]3(Cl)CCOC3=O)nc3cccc1c23 ZINC000587104115 EH Annotated Anodyne CN(C)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587104294 EH Annotated Anodyne CN(C)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587104297 EH Annotated Anodyne C=CN1CC[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1=O ZINC000587104362 EH Annotated Anodyne C=CN1CC[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1=O ZINC000587104369 EH Annotated Anodyne CC(=O)NC(C)(C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104409 EH Annotated Anodyne Cn1ncc2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104412 EH Annotated Anodyne CCN(CC)C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104665 EH Annotated Anodyne Cc1ccnn1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104753 EH Annotated Anodyne O=C1c2ccccc2-c2cc(CCn3cccn3)nc3cccc1c23 ZINC000587104781 EH Annotated Anodyne COC(=O)[C@H](N=O)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587105052 EH Annotated Anodyne COC(=O)[C@@H](N=O)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587105054 EH Annotated Anodyne Cc1c(-c2ncnn2C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105112 EH Annotated Anodyne CC(C)(c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)n1cncn1 ZINC000587105122 EH Annotated Anodyne Cn1cc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000587105132 EH Annotated Anodyne C[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)n1cncn1 ZINC000587105196 EH Annotated Anodyne C[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)n1cncn1 ZINC000587105197 EH Annotated Anodyne Cc1nc(=N)[nH]cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105199 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]3C[N+](=O)[O-] ZINC000587105277 EH Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]3C[N+](=O)[O-] ZINC000587105278 EH Annotated Bother Cc1ccn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587105291 EH Annotated Anodyne COC(=O)[C@H](C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105578 EH Annotated Anodyne COC(=O)[C@@H](C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105579 EH Annotated Anodyne Cc1noc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 ZINC000587105759 EH Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105766 EH Annotated Anodyne CCOC(=O)[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105768 EH Annotated Anodyne C=C1NC(=O)NC=C1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105770 EH Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587105791 EH Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587105823 EH Annotated Anodyne CCOC(=O)[C@@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587105826 EH Annotated Anodyne FC(F)(F)c1ncc2nc(Cc3ccccc3C(F)(F)F)nc-2[nH]1 ZINC000587105847 EH Annotated Anodyne COC(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105853 EH Annotated Anodyne COC(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105857 EH Annotated Anodyne CC(=O)O[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105867 EH Annotated Anodyne CC(=O)O[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105869 EH Annotated Anodyne CCc1c(CC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105916 EH Annotated Anodyne COC(=O)C(C)(C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105936 EH Annotated Anodyne COC(=O)C[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105938 EH Annotated Anodyne COC(=O)C[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587105941 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)nn3)nc3cccc1c23 ZINC000587105996 EH Annotated Anodyne O=C(O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)on1 ZINC000587105997 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(CO)on3)nc3cccc1c23 ZINC000587106083 EH Annotated Anodyne COC(=O)CCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587106113 EH Annotated Anodyne CCOC(=O)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106211 EH Annotated Anodyne CCCOC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106257 EH Annotated Anodyne COC(=O)[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106593 EH Annotated Anodyne COC(=O)[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106597 EH Annotated Anodyne N#Cc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1C#N ZINC000587106768 EH Annotated Mild COC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000587106776 EH Annotated Anodyne COC(=O)[C@H]1C=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106792 EH Annotated Anodyne COC(=O)[C@@H]1C=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587106796 EH Annotated Anodyne CC(=O)C(C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107053 EH Annotated Anodyne COC(=O)[C@@H]1c2nc3cccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O ZINC000587107062 EH Annotated Anodyne COC(=O)[C@H]1c2nc3cccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O ZINC000587107063 EH Annotated Anodyne COC(=O)C1=Cc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587107083 EH Annotated Anodyne CCOC(=O)Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107102 EH Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4nnnn4c3)nc3cccc1c23 ZINC000587107288 EH Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/N3CCOCC3)nc3cccc1c23 ZINC000587107371 EH Annotated Anodyne COC(=O)c1cccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 ZINC000587107398 EH Annotated Anodyne COC(=O)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587107433 EH Annotated Anodyne COC(=O)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587107435 EH Annotated Anodyne COC(=O)C1=Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587107442 EH Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587107509 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107510 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107548 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587107550 EH Annotated Anodyne FC1(F)Oc2cc3nc(-c4ncccc4C(F)(F)F)[nH]c3cc2O1 ZINC000587107654 EH Annotated Anodyne C=CCOC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107695 EH Annotated Mild COC(=O)[C@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)C1(C)C ZINC000587107878 EH Annotated Anodyne COC(=O)[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)C1(C)C ZINC000587107880 EH Annotated Anodyne FC(F)(F)c1cccnc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587107964 EH Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587108014 EH Annotated Anodyne COCCc1c(COC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587108150 EH Annotated Anodyne COC(=O)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587108232 EH Annotated Anodyne COC(=O)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587108234 EH Annotated Anodyne COC(=O)C[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587108240 EH Annotated Anodyne COC(=O)C[C@@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587108241 EH Annotated Anodyne CCOC(=O)Cc1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587108259 EH Annotated Anodyne O=C(O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[nH]n1 ZINC000587108305 EH Annotated Anodyne CC(C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108329 EH Annotated Anodyne FC(F)(F)c1cccnc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587108361 EH Annotated Anodyne FC(F)(F)c1cccnc1-c1nc2cncc(Br)c2[nH]1 ZINC000587108366 EH Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587108392 EH Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587108590 EH Annotated Anodyne N#Cc1cccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 ZINC000587108623 EH Annotated Mild O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587108626 EH Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587108640 EH Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587108684 EH Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587108690 EH Annotated Anodyne Oc1nc2cc3nc(Cc4ccccc4C(F)(F)F)[nH]c3cc2[nH]1 ZINC000587108723 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc12 ZINC000587108845 EH Annotated Anodyne Cc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2n1 ZINC000587108953 EH Annotated Bother O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587108963 EH Annotated Anodyne N#Cc1cccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 ZINC000587108982 EH Annotated Mild O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587109141 EH Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587109165 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 ZINC000587109190 EH Annotated Anodyne Fc1cc2[nH]c(-c3ncccc3C(F)(F)F)nc2cc1-n1cccn1 ZINC000587109191 EH Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cnncc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109200 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 ZINC000587109288 EH Annotated Bother N#Cc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587109289 EH Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(O)cc2[nH]1 ZINC000587109310 EH Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1 ZINC000587109314 EH Annotated Bother N#Cc1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587109478 EH Annotated Mild O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587109537 EH Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cncnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109690 EH Annotated Anodyne Cc1ccnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 ZINC000587109695 EH Annotated Bother Cc1cnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 ZINC000587109741 EH Annotated Bother Cc1nccc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 ZINC000587109799 EH Annotated Bother Cc1cncc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587109883 EH Annotated Bother N#Cc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 ZINC000587109900 EH Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)cnc2[nH]1 ZINC000587110048 EH Annotated Bother Oc1nc2cc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c3cc2[nH]1 ZINC000587110075 EH Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(O)c2[nH]1 ZINC000587110137 EH Annotated Bother COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cn1 ZINC000587110142 EH Annotated Anodyne Fc1cc(C(F)(F)F)ccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587110160 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2n1 ZINC000587110275 EH Annotated Anodyne FC(F)(F)c1cc(Cc2nc3ncc[nH]c-3n2)cc(C(F)(F)F)c1 ZINC000587110351 EH Annotated Anodyne Cn1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111223 EH Annotated Mild Nc1ccnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 ZINC000587111366 EH Annotated Anodyne FC(F)(F)c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587111368 EH Annotated Anodyne FC(F)(F)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587111389 EH Annotated Anodyne Cn1cc(-c2nc3ccc(Br)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587111751 EH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2c1 ZINC000587111941 EH Annotated Anodyne Cn1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587111988 EH Annotated Bother N=c1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c[nH]1 ZINC000587112108 EH Annotated Anodyne Cn1cc(-c2nc3cc(Br)ncc3[nH]2)c(C(F)(F)F)c1 ZINC000587112114 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587112162 EH Annotated Anodyne Nc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1N ZINC000587112247 EH Annotated Anodyne N#Cc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112272 EH Annotated Mild COc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1OC ZINC000587112413 EH Annotated Anodyne Oc1nccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587112419 EH Annotated Anodyne N#Cc1cccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112507 EH Annotated Mild N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000587112909 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587112947 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587112960 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587113034 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587113078 EH Annotated Anodyne Cn1cc(-c2nc3cc(Br)cnc3[nH]2)c(C(F)(F)F)c1 ZINC000587113194 EH Annotated Anodyne Cn1cc(-c2nc3c(Br)ccnc3[nH]2)c(C(F)(F)F)c1 ZINC000587113259 EH Annotated Anodyne Cn1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C(F)(F)F)c1 ZINC000587113605 EH Annotated Anodyne Cn1cc(-c2nc3cncc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113620 EH Annotated Anodyne N=c1[nH]ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587113676 EH Annotated Anodyne Cn1cc(-c2nc3ccnc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113703 EH Annotated Anodyne Cn1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587113705 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587114012 EH Annotated Anodyne COc1cccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587114089 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587114391 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587114396 EH Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c(C)n1 ZINC000587114633 EH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587114927 EH Annotated Anodyne FC(F)(F)c1cncc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587114951 EH Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587114984 EH Annotated Anodyne Fc1cc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2cc1-n1cccn1 ZINC000587115012 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 ZINC000587115167 EH Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587115245 EH Annotated Anodyne FC(F)(F)c1cncc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587115383 EH Annotated Anodyne FC(F)(F)c1cncc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587115404 EH Annotated Anodyne Cn1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C(F)(F)F)c1 ZINC000587115405 EH Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587115622 EH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 ZINC000587115625 EH Annotated Anodyne O=C1CCc2cc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3cc2N1 ZINC000587115630 EH Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587115643 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587115656 EH Annotated Bother Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cncc(Cl)c2[nH]1 ZINC000587115786 EH Annotated Anodyne Oc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 ZINC000587115843 EH Annotated Anodyne Cc1cncc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587115948 EH Annotated Anodyne OCc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 ZINC000587115992 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587116022 EH Annotated Anodyne Cc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2n1 ZINC000587116025 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587116109 EH Annotated Anodyne Cc1nccc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 ZINC000587116156 EH Annotated Anodyne Oc1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116164 EH Annotated Anodyne Cc1cnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587116187 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 ZINC000587116194 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587116197 EH Annotated Anodyne COc1nccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116201 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587116346 EH Annotated Anodyne COc1cncc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116372 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587116425 EH Annotated Anodyne COc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cn1 ZINC000587116444 EH Annotated Anodyne Fc1cnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 ZINC000587116458 EH Annotated Anodyne COc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2n1 ZINC000587116464 EH Annotated Anodyne FC(F)(F)c1cc(-c2nc3cnccc3[nH]2)c(Br)cn1 ZINC000587116496 EH Annotated Anodyne FC(F)(F)c1cc(-c2nc3cccnc3[nH]2)c(Br)cn1 ZINC000587116505 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587116529 EH Annotated Bother COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1F ZINC000587116575 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587116586 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587116593 EH Annotated Anodyne CC(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587116629 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587116631 EH Annotated Bother Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(C#N)cc2[nH]1 ZINC000587116646 EH Annotated Mild FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Cl)ccnc3[nH]2)n1 ZINC000587116772 EH Annotated Anodyne COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1C ZINC000587116879 EH Annotated Anodyne Cc1cc2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c(C)n1 ZINC000587117002 EH Annotated Anodyne N#Cc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587117061 EH Annotated Mild Cn1nc(C(F)(F)F)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587117135 EH Annotated Mild Cc1c(Cl)ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587117211 EH Annotated Anodyne Cc1cc(Cl)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587117321 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(C#N)c2[nH]1 ZINC000587117375 EH Annotated Mild FC(F)(F)c1cc(C2CC2)n(Cc2nc3cncc(Cl)c3[nH]2)n1 ZINC000587117390 EH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587117491 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587117509 EH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587117548 EH Annotated Anodyne Fc1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1Cl ZINC000587117616 EH Annotated Anodyne Fc1cc(F)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587117659 EH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cccc(Br)c2[nH]1 ZINC000587117780 EH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587117846 EH Annotated Bother COc1cccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12 ZINC000587117856 EH Annotated Anodyne COc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Cl ZINC000587118072 EH Annotated Anodyne Fc1cc(Cl)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587118156 EH Annotated Anodyne CC(C)(C)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2n1 ZINC000587118201 EH Annotated Anodyne Fc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1F ZINC000587118225 EH Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc4cn[nH]c4cc3[nH]2)n1 ZINC000587118261 EH Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Cl)cnc3[nH]2)n1 ZINC000587118263 EH Annotated Anodyne CC(C)Oc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118296 EH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587118485 EH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587118504 EH Annotated Mild Cc1ccc2c(ccc3nc(-c4cc(C(F)(F)F)nn4C)[nH]c32)n1 ZINC000587118658 EH Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(Cl)nc3[nH]2)n1 ZINC000587118727 EH Annotated Anodyne Cc1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c(C)n1 ZINC000587118754 EH Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cnc4ccccc4c3[nH]2)n1 ZINC000587118781 EH Annotated Anodyne Cc1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587118812 EH Annotated Anodyne Cc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587118824 EH Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3ccc4c(c3[nH]2)CCCC4)n1 ZINC000587118835 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587118844 EH Annotated Mild Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587118963 EH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587119038 EH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587119155 EH Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587119156 EH Annotated Anodyne COc1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587119199 EH Annotated Anodyne Fc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1F ZINC000587119269 EH Annotated Anodyne N#Cc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119349 EH Annotated Mild FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Cl)ncc3[nH]2)n1 ZINC000587119354 EH Annotated Anodyne Fc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119377 EH Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3ccc4ncccc4c3[nH]2)n1 ZINC000587119422 EH Annotated Anodyne Cc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c(C)n1 ZINC000587119434 EH Annotated Anodyne CSc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587119466 EH Annotated Anodyne COc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Cl ZINC000587119500 EH Annotated Anodyne Cc1ccc2c(ccc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c32)n1 ZINC000587119519 EH Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccnc(Cl)c3[nH]2)n1 ZINC000587119742 EH Annotated Anodyne CC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587119950 EH Annotated Anodyne N#Cc1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587119953 EH Annotated Mild Fc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587120010 EH Annotated Anodyne COc1nccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120177 EH Annotated Anodyne COc1cncc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120235 EH Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4c(Cl)ncnc4[nH]3)cc2[nH]1 ZINC000587120242 EH Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4cnc(Cl)[nH]c-4n3)cc2[nH]1 ZINC000587120379 EH Annotated Anodyne OCc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 ZINC000587120441 EH Annotated Anodyne COc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cn1 ZINC000587120621 EH Annotated Anodyne Oc1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120685 EH Annotated Anodyne Cc1cnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120691 EH Annotated Anodyne Cc1cncc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120756 EH Annotated Anodyne COc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2n1 ZINC000587120768 EH Annotated Anodyne Fc1cnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 ZINC000587120770 EH Annotated Mild OCCc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 ZINC000587120778 EH Annotated Anodyne N#Cc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587120792 EH Annotated Mild N#Cc1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120797 EH Annotated Mild FC(F)(F)c1nc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2[nH]1 ZINC000587120823 EH Annotated Anodyne Cc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2n1 ZINC000587120942 EH Annotated Anodyne N#Cc1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120996 EH Annotated Mild Oc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587121143 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 ZINC000587121154 EH Annotated Anodyne Cc1nccc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 ZINC000587121185 EH Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cncnc2[nH]1 ZINC000587121424 EH Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cncnc3[nH]2)c1 ZINC000587121593 EH Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ncc[nH]c-2n1 ZINC000587121650 EH Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cnncc3[nH]2)c1 ZINC000587121739 EH Annotated Anodyne FC(F)COc1cccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)n1 ZINC000587121966 EH Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cnncc2[nH]1 ZINC000587122117 EH Annotated Anodyne C[C@H](F)[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587122250 EH Annotated Anodyne C[C@H](F)[C@@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587122251 EH Annotated Anodyne C[C@@H](F)[C@@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587122252 EH Annotated Anodyne C[C@@H](F)[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587122255 EH Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ncc[nH]c-3n2)c1 ZINC000587122417 EH Annotated Anodyne FC(F)(F)OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587122798 EH Annotated Mild CC(C)(C)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2n1 ZINC000587122877 EH Annotated Anodyne C[C@H](F)[C@@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587122991 EH Annotated Anodyne C[C@@H](F)[C@@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587122992 EH Annotated Anodyne C[C@H](F)[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587122993 EH Annotated Anodyne C[C@@H](F)[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587122994 EH Annotated Anodyne FC(F)COc1cccc(-c2nc3c(ccc4ncccc43)[nH]2)n1 ZINC000587122997 EH Annotated Anodyne COc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Cl ZINC000587123070 EH Annotated Anodyne C[C@H](F)[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587123460 EH Annotated Anodyne C[C@H](F)[C@@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587123462 EH Annotated Anodyne C[C@@H](F)[C@@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587123464 EH Annotated Anodyne C[C@@H](F)[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587123466 EH Annotated Anodyne FC(F)COc1cccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)n1 ZINC000587123484 EH Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1F ZINC000587123888 EH Annotated Anodyne FC(F)COc1cccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n1 ZINC000587123972 EH Annotated Anodyne Fc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c(F)c1F ZINC000587123978 EH Annotated Anodyne Oc1ncnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 ZINC000587124218 EH Annotated Anodyne Oc1ncnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 ZINC000587124223 EH Annotated Anodyne FC(F)COc1cccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)n1 ZINC000587124297 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc12 ZINC000587124511 EH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(C#N)c4[nH]3)cc2N1 ZINC000587124733 EH Annotated Mild C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(C#N)c4[nH]3)cc2N1 ZINC000587124739 EH Annotated Mild C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(C#N)c4[nH]3)cc2N1 ZINC000587124740 EH Annotated Mild C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(C#N)c4[nH]3)cc2N1 ZINC000587124743 EH Annotated Mild CCCCOc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587124789 EH Annotated Anodyne CCCCOc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587124791 EH Annotated Anodyne CCCCOc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587124792 EH Annotated Anodyne CCCCOc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587124794 EH Annotated Anodyne Nc1ncnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 ZINC000587124891 EH Annotated Anodyne Nc1ncnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 ZINC000587124892 EH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)cc4[nH]3)cc2N1 ZINC000587125286 EH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)cc4[nH]3)cc2N1 ZINC000587125297 EH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)cc4[nH]3)cc2N1 ZINC000587125299 EH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)cc4[nH]3)cc2N1 ZINC000587125301 EH Annotated Anodyne OC1(c2nc3c(F)cnc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587125330 EH Annotated Anodyne Cc1cc2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2cc1[N+](=O)[O-] ZINC000587125518 EH Annotated Bother Fc1c(Br)cc2nc(COC(F)(F)F)[nH]c2c1F ZINC000587125657 EH Annotated Anodyne FC(F)COc1cccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n1 ZINC000587125679 EH Annotated Anodyne Oc1nncc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587125867 EH Annotated Anodyne Oc1nncc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587125868 EH Annotated Anodyne FC(F)COc1cccc(-c2nc3c(cnc4ccccc43)[nH]2)n1 ZINC000587125978 EH Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 ZINC000587126008 EH Annotated Mild CC(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587126033 EH Annotated Anodyne COc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1C ZINC000587126038 EH Annotated Anodyne C[C@H](F)[C@H](N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587126291 EH Annotated Mild C[C@H](F)[C@@H](N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587126292 EH Annotated Mild C[C@@H](F)[C@@H](N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587126293 EH Annotated Mild C[C@@H](F)[C@H](N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587126294 EH Annotated Mild FC(F)COc1cccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)n1 ZINC000587126390 EH Annotated Anodyne Cc1nccc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 ZINC000587126557 EH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(F)c4[nH]3)cc2N1 ZINC000587126622 EH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(F)c4[nH]3)cc2N1 ZINC000587126625 EH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(F)c4[nH]3)cc2N1 ZINC000587126628 EH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(F)c4[nH]3)cc2N1 ZINC000587126630 EH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C#N)cc4[nH]3)cc2N1 ZINC000587126680 EH Annotated Mild C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C#N)cc4[nH]3)cc2N1 ZINC000587126681 EH Annotated Mild C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C#N)cc4[nH]3)cc2N1 ZINC000587126682 EH Annotated Mild C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C#N)cc4[nH]3)cc2N1 ZINC000587126686 EH Annotated Mild C[C@H](F)[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587126746 EH Annotated Anodyne C[C@H](F)[C@@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587126747 EH Annotated Anodyne C[C@@H](F)[C@@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587126748 EH Annotated Anodyne C[C@@H](F)[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587126750 EH Annotated Anodyne Fc1cnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 ZINC000587126759 EH Annotated Anodyne CC(C)COc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587126774 EH Annotated Anodyne CC(C)COc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587126775 EH Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587126776 EH Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587126777 EH Annotated Anodyne Cc1cncc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587126978 EH Annotated Anodyne Oc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587126996 EH Annotated Anodyne Cc1ccnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 ZINC000587127016 EH Annotated Anodyne Cc1cnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 ZINC000587127062 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1F ZINC000587127158 EH Annotated Bother Cc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2n1 ZINC000587127186 EH Annotated Anodyne OC1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127273 EH Annotated Anodyne COc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1F ZINC000587127293 EH Annotated Anodyne COc1cc(OC)c2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2c1 ZINC000587127310 EH Annotated Anodyne N#Cc1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587127438 EH Annotated Mild N#Cc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587127604 EH Annotated Mild CC(C)(C)c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587127852 EH Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587127854 EH Annotated Anodyne FC(F)c1c(-c2nc3cc4ccccc4cc3[nH]2)cnc2ncnn12 ZINC000587127916 EH Annotated Anodyne Cc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Cl ZINC000587127965 EH Annotated Anodyne Oc1ncnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 ZINC000587128013 EH Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128133 EH Annotated Anodyne C[C@@H](c1nc2ncc[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128232 EH Annotated Anodyne C[C@H](c1nc2ncc[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128242 EH Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128390 EH Annotated Anodyne Oc1nncc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 ZINC000587128570 EH Annotated Anodyne Nc1ncnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 ZINC000587128894 EH Annotated Anodyne CCOc1cc(/C=C/c2nc3cnncc3[nH]2)ccc1OC(F)F ZINC000587129129 EH Annotated Anodyne CCOc1cc(/C=C\c2nc3cnncc3[nH]2)ccc1OC(F)F ZINC000587129134 EH Annotated Anodyne C[C@@H](c1nc2cncnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129161 EH Annotated Anodyne C[C@H](c1nc2cncnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129162 EH Annotated Anodyne Cn1nnc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1C(F)F ZINC000587129271 EH Annotated Anodyne CCOc1cc(/C=C/c2nc3ccnc(O)c3[nH]2)ccc1OC(F)F ZINC000587129537 EH Annotated Anodyne CCOc1cc(/C=C\c2nc3ccnc(O)c3[nH]2)ccc1OC(F)F ZINC000587129538 EH Annotated Anodyne CCOc1cc(/C=C/c2nc3cc[nH]c(=N)c3[nH]2)ccc1OC(F)F ZINC000587129583 EH Annotated Anodyne CCOc1cc(/C=C\c2nc3cc[nH]c(=N)c3[nH]2)ccc1OC(F)F ZINC000587129591 EH Annotated Anodyne C[C@@H](c1nc2cnncc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129661 EH Annotated Anodyne C[C@H](c1nc2cnncc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129662 EH Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(=N)[nH]cc3[nH]2)ccc1OC(F)F ZINC000587129738 EH Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(=N)[nH]cc3[nH]2)ccc1OC(F)F ZINC000587129739 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc12 ZINC000587130055 EH Annotated Anodyne CC(C)OC(=O)C1(c2nc3cccc(Cl)c3[nH]2)CC(F)(F)C1 ZINC000587130383 EH Annotated Anodyne CCOc1cc(/C=C/c2nc3cncnc3[nH]2)ccc1OC(F)F ZINC000587130433 EH Annotated Anodyne CCOc1cc(/C=C\c2nc3cncnc3[nH]2)ccc1OC(F)F ZINC000587130434 EH Annotated Anodyne FC(F)Oc1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587130705 EH Annotated Anodyne CCOc1cc(/C=C/c2nc3c(N)ccnc3[nH]2)ccc1OC(F)F ZINC000587130879 EH Annotated Anodyne CCOc1cc(/C=C\c2nc3c(N)ccnc3[nH]2)ccc1OC(F)F ZINC000587130880 EH Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(Cl)cc3[nH]2)CC(F)(F)C1 ZINC000587130881 EH Annotated Anodyne FC(F)Oc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 ZINC000587131075 EH Annotated Anodyne NC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131255 EH Annotated Anodyne CC(C)OC(=O)C1(c2nc3cnc4ccccc4c3[nH]2)CC(F)(F)C1 ZINC000587131317 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc12 ZINC000587131318 EH Annotated Anodyne Cc1c(F)ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 ZINC000587131417 EH Annotated Anodyne CSc1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 ZINC000587131418 EH Annotated Anodyne C=CCc1cccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 ZINC000587131422 EH Annotated Mild CC(C)OC(=O)C1(c2nc3ccc4ncccc4c3[nH]2)CC(F)(F)C1 ZINC000587131434 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2c1 ZINC000587131441 EH Annotated Bother Cc1cc(F)c2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc2c1 ZINC000587131498 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 ZINC000587131506 EH Annotated Bother CC(C)OC(=O)C1(c2nc3cc(Cl)c(F)cc3[nH]2)CC(F)(F)C1 ZINC000587131519 EH Annotated Anodyne COC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2n1 ZINC000587131526 EH Annotated Anodyne Cc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1F ZINC000587131532 EH Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Cl)cc(F)c3[nH]2)CC(F)(F)C1 ZINC000587131566 EH Annotated Anodyne Cc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587131626 EH Annotated Anodyne Cc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587131627 EH Annotated Anodyne OCCc1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131722 EH Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(F)c(F)c(F)c3[nH]2)CC(F)(F)C1 ZINC000587131752 EH Annotated Anodyne Cc1cccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587131770 EH Annotated Anodyne Cc1cccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587131771 EH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(C3(F)CCCCC3)nc-2[nH]1 ZINC000587131831 EH Annotated Anodyne COC(=O)c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cn1 ZINC000587131992 EH Annotated Anodyne FC1(c2nc3cc(I)cnc3[nH]2)CCCCC1 ZINC000587132099 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(F)cc3[nH]2)C(F)(F)C1 ZINC000587132203 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(F)cc3[nH]2)C(F)(F)C1 ZINC000587132204 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccnc(Br)c2[nH]1 ZINC000587132325 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587132332 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3c(F)ccc(F)c3OC)[nH]c2c1 ZINC000587132334 EH Annotated Anodyne Cc1c(F)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F ZINC000587132342 EH Annotated Anodyne O=C(c1nc2c(O)cccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132439 EH Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1N ZINC000587132462 EH Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1N ZINC000587132562 EH Annotated Anodyne COc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cn1 ZINC000587132569 EH Annotated Anodyne O=C(c1nc2ncc(F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132610 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc(Br)nc2[nH]1 ZINC000587132661 EH Annotated Anodyne O=C(c1nc2nc(Cl)c[nH]c-2n1)c1c(Cl)ccc(F)c1Cl ZINC000587132809 EH Annotated Anodyne COc1c(F)ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1N ZINC000587132869 EH Annotated Anodyne COc1c(F)ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1N ZINC000587132881 EH Annotated Bother COc1cncc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 ZINC000587132949 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587132957 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587132988 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587133053 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2c(Br)ccnc2[nH]1 ZINC000587133059 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(F)c3[nH]2)C(F)(F)C1 ZINC000587133081 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(F)c3[nH]2)C(F)(F)C1 ZINC000587133082 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(Br)ncc2[nH]1 ZINC000587133232 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc(Br)cnc2[nH]1 ZINC000587133246 EH Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cncc(Br)c2[nH]1 ZINC000587133250 EH Annotated Anodyne COc1c(F)ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1N ZINC000587133276 EH Annotated Anodyne O=C(c1nc2nc(Cl)ncc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133317 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(F)c(C)c(F)c3)[nH]c2c1OC ZINC000587133351 EH Annotated Anodyne COc1c(F)ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1N ZINC000587133423 EH Annotated Anodyne O=C(c1nc2ncnc(Cl)c2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133464 EH Annotated Anodyne O=C(c1nc2cc(O)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133470 EH Annotated Anodyne O=C(c1nc2cc(CO)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133511 EH Annotated Anodyne COc1c(F)ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1N ZINC000587133522 EH Annotated Anodyne COc1c(F)ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1N ZINC000587133551 EH Annotated Anodyne COc1c(F)ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1N ZINC000587133627 EH Annotated Anodyne COc1c(F)ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1N ZINC000587133667 EH Annotated Anodyne COc1nccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 ZINC000587133668 EH Annotated Anodyne COc1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2n1 ZINC000587133676 EH Annotated Anodyne COc1c(F)ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1N ZINC000587133687 EH Annotated Anodyne COc1nccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133705 EH Annotated Anodyne COc1nccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133706 EH Annotated Anodyne N#Cc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1C#N ZINC000587133737 EH Annotated Mild COc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cn1 ZINC000587133758 EH Annotated Anodyne COc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cn1 ZINC000587133759 EH Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587133831 EH Annotated Anodyne Oc1nccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133931 EH Annotated Anodyne Oc1nccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587133932 EH Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3nc(Cl)c[nH]c-3n2)c(F)c1F ZINC000587133948 EH Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3nc(Cl)c[nH]c-3n2)c(F)c1F ZINC000587133949 EH Annotated Anodyne COc1c(F)ccc(-c2nc3cccc(Br)c3[nH]2)c1N ZINC000587133993 EH Annotated Anodyne O=C(O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 ZINC000587134162 EH Annotated Anodyne COc1c(F)cc(-c2nc3ccc(Br)nc3[nH]2)cc1F ZINC000587134197 EH Annotated Anodyne Fc1cnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587134213 EH Annotated Anodyne Fc1cnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587134215 EH Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 ZINC000587134242 EH Annotated Bother COc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 ZINC000587134243 EH Annotated Anodyne COc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 ZINC000587134244 EH Annotated Anodyne Nc1c(F)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F ZINC000587134266 EH Annotated Anodyne COc1c(F)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1F ZINC000587134277 EH Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587134308 EH Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cccc(Br)c2[nH]1 ZINC000587134395 EH Annotated Anodyne O=C(O)c1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 ZINC000587134400 EH Annotated Anodyne Nc1c(F)cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1F ZINC000587134408 EH Annotated Anodyne Nc1c(F)cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1F ZINC000587134454 EH Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cnc(Cl)[nH]c-3n2)c(F)c1F ZINC000587134470 EH Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cnc(Cl)[nH]c-3n2)c(F)c1F ZINC000587134471 EH Annotated Anodyne COc1c(F)cc(-c2nc3cncc(Br)c3[nH]2)cc1F ZINC000587134505 EH Annotated Anodyne Fc1c(F)c(-c2nc3c(Cl)ncnc3[nH]2)c(F)c(F)c1S ZINC000587134524 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(F)c(N)c(F)c3)nc2c1 ZINC000587134562 EH Annotated Mild Nc1c(F)cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1F ZINC000587134569 EH Annotated Anodyne Fc1c(F)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c(F)c(F)c1S ZINC000587134596 EH Annotated Anodyne Cc1nc2[nH]c(-c3cc(F)cc(F)c3O)nc2cc1Br ZINC000587134627 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)cc(F)c3O)nc2c1 ZINC000587134648 EH Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587134699 EH Annotated Anodyne COc1c(F)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1F ZINC000587134729 EH Annotated Anodyne Nc1c(F)cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1F ZINC000587134742 EH Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 ZINC000587134776 EH Annotated Bother Cc1nc2[nH]c(-c3cc(F)c(N)c(F)c3)nc2cc1Br ZINC000587134788 EH Annotated Anodyne COc1c(F)cc(-c2nc3cc(Br)cnc3[nH]2)cc1F ZINC000587134802 EH Annotated Anodyne OCc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587134806 EH Annotated Anodyne OCc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587134807 EH Annotated Anodyne COc1c(F)cc(-c2nc3cc(Br)ncc3[nH]2)cc1F ZINC000587134833 EH Annotated Anodyne COc1c(F)cc(-c2nc3ccnc(Br)c3[nH]2)cc1F ZINC000587134853 EH Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3c(Cl)ncnc3[nH]2)c(F)c1F ZINC000587134881 EH Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3c(Cl)ncnc3[nH]2)c(F)c1F ZINC000587134882 EH Annotated Anodyne OCCc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 ZINC000587134897 EH Annotated Anodyne OCc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 ZINC000587134901 EH Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587134971 EH Annotated Anodyne N#Cc1cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2cc1C(F)(F)F ZINC000587135042 EH Annotated Mild COc1c(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F ZINC000587135045 EH Annotated Anodyne Nc1c(F)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587135046 EH Annotated Anodyne Nc1c(F)cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1F ZINC000587135060 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)c(N)c(F)c3)nc2c1 ZINC000587135078 EH Annotated Anodyne COc1cncc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135153 EH Annotated Anodyne COc1cncc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135154 EH Annotated Anodyne Nc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1N ZINC000587135191 EH Annotated Anodyne Nc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1N ZINC000587135192 EH Annotated Anodyne COc1c(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F ZINC000587135232 EH Annotated Anodyne Nc1c(F)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F ZINC000587135289 EH Annotated Anodyne Nc1c(F)cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1F ZINC000587135331 EH Annotated Anodyne Fc1c(F)c(-c2nc3cc4c(cc3[nH]2)OCO4)c(F)c(F)c1S ZINC000587135372 EH Annotated Anodyne CNc1c(F)cccc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587135480 EH Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)c(N)cc1F ZINC000587135679 EH Annotated Anodyne Nc1cc(F)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1N ZINC000587135703 EH Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccc(CCO)cc3[nH]2)c(N)cc1F ZINC000587135706 EH Annotated Anodyne Nc1cc(F)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1N ZINC000587135740 EH Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3nc(Cl)c[nH]c-3n2)c(N)cc1F ZINC000587135794 EH Annotated Anodyne CNc1c(F)cccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587135869 EH Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3c(Cl)ncnc3[nH]2)c(N)cc1F ZINC000587135881 EH Annotated Anodyne COc1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2n1 ZINC000587135915 EH Annotated Anodyne CNc1c(F)cccc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587135930 EH Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c(N)cc1F ZINC000587135942 EH Annotated Mild COc1nccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587135949 EH Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1C ZINC000587135984 EH Annotated Anodyne CNc1c(F)cccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587136001 EH Annotated Anodyne COc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cn1 ZINC000587136008 EH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F ZINC000587136036 EH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1F ZINC000587136089 EH Annotated Mild Cc1cc(N(C)Cc2nc3cncc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136105 EH Annotated Bother COc1nccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 ZINC000587136114 EH Annotated Anodyne CNc1c(F)cccc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587136157 EH Annotated Anodyne COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cn1 ZINC000587136162 EH Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3ncc[nH]c-3n2)cc([N+](=O)[O-])c1 ZINC000587136193 EH Annotated Bother Nc1c(F)c(F)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1F ZINC000587136296 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(N)c(N)cc3F)nc2c1 ZINC000587136300 EH Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cnc(Cl)[nH]c-3n2)c(N)cc1F ZINC000587136303 EH Annotated Anodyne CNc1c(F)cccc1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587136314 EH Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(N)c(N)cc3F)[nH]c12 ZINC000587136526 EH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1F ZINC000587136530 EH Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccc(CO)cc3[nH]2)c(N)cc1F ZINC000587136586 EH Annotated Anodyne COc1cncc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587136627 EH Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(Cl)ncc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136657 EH Annotated Bother Fc1cnc2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 ZINC000587136664 EH Annotated Anodyne COc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2n1 ZINC000587136667 EH Annotated Anodyne Cc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587136686 EH Annotated Bother Cc1cc(N(C)Cc2nc3cccc(F)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136706 EH Annotated Bother Cc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br ZINC000587136768 EH Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(N)c(N)cc3F)[nH]c12 ZINC000587136804 EH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3ccc(Br)cc3[nH]2)c1F ZINC000587136813 EH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1F ZINC000587136864 EH Annotated Anodyne Cc1cc(N(C)Cc2nc3c(Cl)ccnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136878 EH Annotated Bother Cc1cc(N(C)Cc2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136964 EH Annotated Bother COc1cncc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 ZINC000587136970 EH Annotated Anodyne COc1cccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c12 ZINC000587136983 EH Annotated Bother Nc1c(F)c(F)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1F ZINC000587137049 EH Annotated Bother Nc1c(F)c(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1F ZINC000587137079 EH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cccc(Br)c3[nH]2)c1F ZINC000587137089 EH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1F ZINC000587137111 EH Annotated Anodyne COc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587137146 EH Annotated Bother Cc1cc(N(C)Cc2nc3ccc(Cl)nc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137179 EH Annotated Bother Cc1cc(N(C)Cc2nc3ccnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137181 EH Annotated Bother Nc1c(F)c(F)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1F ZINC000587137260 EH Annotated Anodyne COc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Cl ZINC000587137269 EH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1F ZINC000587137308 EH Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(Cl)cnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137358 EH Annotated Bother Nc1cc(F)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1N ZINC000587137380 EH Annotated Bother Cc1cc(N(C)Cc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137386 EH Annotated Bother Cc1cc2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c(C)n1 ZINC000587137432 EH Annotated Bother Cc1cc(Br)c(-c2nc3cnc(Cl)[nH]c-3n2)cc1F ZINC000587137546 EH Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2ncc[nH]c-2n1 ZINC000587137570 EH Annotated Anodyne COc1nccc2nc(-c3cc(F)c(C)cc3Br)[nH]c12 ZINC000587137606 EH Annotated Anodyne COc1cncc2nc(-c3cc(F)c(C)cc3Br)[nH]c12 ZINC000587137640 EH Annotated Anodyne Fc1cc(F)c(-c2nc3cnc(Cl)[nH]c-3n2)cc1Br ZINC000587137641 EH Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cncnc2[nH]1 ZINC000587137677 EH Annotated Anodyne Cc1cc(Br)c(-c2nc3nc(Cl)c[nH]c-3n2)cc1F ZINC000587137684 EH Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(N)c(N)cc3[nH]2)cc1F ZINC000587137718 EH Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 ZINC000587137748 EH Annotated Anodyne COc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cn1 ZINC000587137763 EH Annotated Anodyne Fc1cc(F)c(-c2nc3c(Cl)ncnc3[nH]2)cc1Br ZINC000587137806 EH Annotated Anodyne Cc1cc(Br)c(-c2nc3ccc(CCO)cc3[nH]2)cc1F ZINC000587137829 EH Annotated Anodyne COc1ccc2nc(-c3cc(F)c(C)cc3Br)[nH]c2n1 ZINC000587137863 EH Annotated Anodyne Oc1nccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587137878 EH Annotated Anodyne Cc1cc(Br)c(-c2nc3ccc(CO)cc3[nH]2)cc1F ZINC000587137916 EH Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cnncc2[nH]1 ZINC000587137934 EH Annotated Anodyne Cc1cc(Br)c(-c2nc3c(Cl)ncnc3[nH]2)cc1F ZINC000587137943 EH Annotated Anodyne N=c1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c[nH]1 ZINC000587137946 EH Annotated Anodyne COc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1OC ZINC000587137988 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1F ZINC000587138005 EH Annotated Bother N#Cc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1C#N ZINC000587138037 EH Annotated Mild Fc1cc(F)c(-c2nc3nc(Cl)c[nH]c-3n2)cc1Br ZINC000587138087 EH Annotated Anodyne N=c1[nH]ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587138202 EH Annotated Anodyne COC(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587138280 EH Annotated Anodyne Fc1cc(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(F)c1F ZINC000587138286 EH Annotated Anodyne O=C1CCc2cc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3cc2N1 ZINC000587138380 EH Annotated Anodyne Fc1cc(CCc2nc3cc4c(cc3[nH]2)OCCO4)cc(F)c1F ZINC000587138384 EH Annotated Anodyne COC(=O)c1cccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 ZINC000587138476 EH Annotated Anodyne Fc1cc(CCc2nc3c(F)cnc(Cl)c3[nH]2)cc(F)c1F ZINC000587138545 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 ZINC000587138599 EH Annotated Anodyne CCOC(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587138777 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 ZINC000587138855 EH Annotated Mild COc1cc(OC)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 ZINC000587138862 EH Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccnc(Cl)c3[nH]2)c1F ZINC000587138894 EH Annotated Bother COC(=O)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 ZINC000587138898 EH Annotated Bother N#Cc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1C#N ZINC000587138900 EH Annotated Mild O=C(O)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 ZINC000587139057 EH Annotated Bother Fc1cc(CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc(F)c1F ZINC000587139101 EH Annotated Anodyne O=C(O)c1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1F ZINC000587139125 EH Annotated Anodyne Cc1cc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2cc1[N+](=O)[O-] ZINC000587139165 EH Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4c(N)ncnc4[nH]3)ccc2F)cc1 ZINC000587139211 EH Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)ncc3[nH]2)c1F ZINC000587139355 EH Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4ncc[nH]c-4n3)ccc2F)cc1 ZINC000587139363 EH Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1F ZINC000587139387 EH Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4cnnc(O)c4[nH]3)ccc2F)cc1 ZINC000587139421 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(F)c(N)c3)nc2c1 ZINC000587139477 EH Annotated Mild CC(=O)c1ccc(-c2cc(-c3nc4c(O)ncnc4[nH]3)ccc2F)cc1 ZINC000587139559 EH Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1F ZINC000587139603 EH Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)cnc3[nH]2)c1F ZINC000587139604 EH Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1F ZINC000587139652 EH Annotated Bother Nc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1F ZINC000587139704 EH Annotated Anodyne Nc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1F ZINC000587139744 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 ZINC000587139852 EH Annotated Bother N[C@@H](N=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 ZINC000587139853 EH Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1F ZINC000587139910 EH Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Cl)ccnc3[nH]2)c1F ZINC000587139973 EH Annotated Bother N#Cc1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1C(F)(F)F ZINC000587139995 EH Annotated Mild OCc1ccc(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587140006 EH Annotated Bother OCc1ccc(F)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587140154 EH Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(CO)ccc3F)[nH]c12 ZINC000587140216 EH Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cncc(Cl)c3[nH]2)c1F ZINC000587140305 EH Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Cl)nc3[nH]2)c1F ZINC000587140306 EH Annotated Bother OCc1ccc(F)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 ZINC000587140479 EH Annotated Anodyne Nc1ccc(F)c(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587140542 EH Annotated Anodyne OCc1ccc(F)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587140596 EH Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587140618 EH Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 ZINC000587140813 EH Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(CO)ccc3F)[nH]c12 ZINC000587140815 EH Annotated Anodyne OCc1ccc(F)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587140817 EH Annotated Anodyne OCc1ccc(F)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587140818 EH Annotated Anodyne OCc1ccc(F)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587140824 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(CO)ccc3F)nc2c1 ZINC000587140853 EH Annotated Anodyne Cc1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1Br ZINC000587140867 EH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1 ZINC000587140958 EH Annotated Anodyne OCc1ccc(F)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587141158 EH Annotated Anodyne Cc1cc2nc(Cc3cc(N)ccc3F)[nH]c2cc1Br ZINC000587141273 EH Annotated Anodyne Fc1ccc(S)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587141303 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3cc(N)ccc3F)nc2c1 ZINC000587141381 EH Annotated Mild Nc1ccc(F)c(Cc2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587141388 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3cc(N)ccc3F)nc2c1 ZINC000587141393 EH Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587141401 EH Annotated Anodyne Cc1c(Br)ccc2nc(Cc3cc(N)ccc3F)[nH]c12 ZINC000587141442 EH Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587141444 EH Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 ZINC000587141467 EH Annotated Anodyne Fc1ccc(S)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587141548 EH Annotated Anodyne Cc1cc(Br)cc2nc(Cc3cc(N)ccc3F)[nH]c12 ZINC000587141655 EH Annotated Anodyne N#Cc1cc2nc(Cc3cc(N)ccc3F)[nH]c2cc1C(F)(F)F ZINC000587141656 EH Annotated Mild Nc1ccc(F)c(Cc2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587141660 EH Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587142025 EH Annotated Bother Nc1ccc(F)c(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587142309 EH Annotated Bother N[C@H](N=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 ZINC000587142452 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 ZINC000587142453 EH Annotated Anodyne Oc1nc2cc3nc(-c4ccc(Br)cc4F)[nH]c3cc2[nH]1 ZINC000587142552 EH Annotated Anodyne Fc1cc(Br)ccc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587142588 EH Annotated Anodyne N#Cc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1C#N ZINC000587142837 EH Annotated Mild CCOC(=O)Cc1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1 ZINC000587143003 EH Annotated Anodyne Fc1cc(Br)ccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587143082 EH Annotated Anodyne N#Cc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587143101 EH Annotated Mild Fc1cc(Br)ccc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587143107 EH Annotated Anodyne Oc1c(Br)ccc2nc(-c3ccc(F)c(F)c3)[nH]c12 ZINC000587143300 EH Annotated Anodyne Cc1nc2[nH]c(-c3ccc(C#N)c(F)c3)nc2cc1Br ZINC000587143590 EH Annotated Mild N#Cc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1F ZINC000587143612 EH Annotated Mild N#Cc1cc(Br)c2[nH]c(-c3ccc(C#N)c(F)c3)nc2c1 ZINC000587143709 EH Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc[nH]c-3n2)c(F)c1 ZINC000587144043 EH Annotated Anodyne N#Cc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F ZINC000587144305 EH Annotated Mild Cc1cc(-c2nc3ncncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144668 EH Annotated Anodyne N[C@H](Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1F ZINC000587144673 EH Annotated Anodyne N[C@@H](Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1F ZINC000587144674 EH Annotated Anodyne Cc1cc(-c2nc3cnncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144994 EH Annotated Anodyne Cc1cc(-c2nc3ncc[nH]c-3n2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145036 EH Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cncnc3[nH]2)c(F)c1 ZINC000587145094 EH Annotated Anodyne Fc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587145270 EH Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnncc3[nH]2)c(F)c1 ZINC000587145541 EH Annotated Anodyne Fc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F ZINC000587145629 EH Annotated Anodyne Cc1ccc(/C=C\c2nc3nc(Br)c[nH]c-3n2)cc1F ZINC000587146364 EH Annotated Anodyne Cc1ccc(/C=C/c2nc3nc(Br)c[nH]c-3n2)cc1F ZINC000587146365 EH Annotated Anodyne Cc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(F)c1 ZINC000587146495 EH Annotated Anodyne Cc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F ZINC000587146531 EH Annotated Bother Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F ZINC000587146532 EH Annotated Bother COC(=O)c1ccc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2c1OC ZINC000587146788 EH Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c1OC ZINC000587146789 EH Annotated Anodyne Cc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(F)c1 ZINC000587146882 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Cl)ccc2[nH]1 ZINC000587147055 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cnc(Cl)cc2[nH]1 ZINC000587147077 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncc(Cl)cc2[nH]1 ZINC000587147224 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C#N)ccc2[nH]1 ZINC000587147447 EH Annotated Mild Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)nccc2[nH]1 ZINC000587147457 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nccc(Cl)c2[nH]1 ZINC000587147550 EH Annotated Anodyne Cc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587147600 EH Annotated Anodyne Cc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587147601 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(O)ccc2[nH]1 ZINC000587147695 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)cncc2[nH]1 ZINC000587147943 EH Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cnc4ccccc4c3[nH]2)cc1F ZINC000587148131 EH Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)c(F)cc3[nH]2)cc1F ZINC000587148170 EH Annotated Bother Fc1ccc(/C=C/c2nc3nc(Br)c[nH]c-3n2)c(F)c1 ZINC000587148235 EH Annotated Anodyne Fc1ccc(/C=C\c2nc3nc(Br)c[nH]c-3n2)c(F)c1 ZINC000587148237 EH Annotated Anodyne COc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c1 ZINC000587148241 EH Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1F ZINC000587148242 EH Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc4ncccc4c3[nH]2)cc1F ZINC000587148243 EH Annotated Bother Cc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2n1 ZINC000587148324 EH Annotated Anodyne Cc1cc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c(C)n1 ZINC000587148349 EH Annotated Anodyne Nc1ccnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12 ZINC000587148382 EH Annotated Anodyne Nc1ccnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 ZINC000587148383 EH Annotated Anodyne C=CCc1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587148407 EH Annotated Mild C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587148473 EH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587148474 EH Annotated Anodyne COc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(F)c1 ZINC000587148544 EH Annotated Anodyne Oc1c(Br)ccc2nc(CCc3ccccc3F)[nH]c12 ZINC000587148707 EH Annotated Anodyne Cc1cnc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1 ZINC000587148751 EH Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)cc(F)c3[nH]2)cc1F ZINC000587148816 EH Annotated Bother C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587148824 EH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587148826 EH Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cncnc3[nH]2)cc1F ZINC000587148874 EH Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cncnc3[nH]2)cc1F ZINC000587148878 EH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587148951 EH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587148954 EH Annotated Anodyne N[C@H](c1nc2cccc(Br)c2[nH]1)c1ccc(F)cc1F ZINC000587148956 EH Annotated Anodyne CC(C)Oc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148997 EH Annotated Bother CC(C)(C)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2n1 ZINC000587149001 EH Annotated Bother Cc1ccnc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c12 ZINC000587149015 EH Annotated Anodyne Cc1nccc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c12 ZINC000587149195 EH Annotated Anodyne Fc1ccccc1CCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587149213 EH Annotated Anodyne Fc1ccccc1CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587149279 EH Annotated Anodyne COc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c(F)c1 ZINC000587149377 EH Annotated Anodyne N[C@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(F)cc1F ZINC000587149421 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2c1 ZINC000587149423 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2c1 ZINC000587149425 EH Annotated Anodyne N[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(F)cc1F ZINC000587149539 EH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587149574 EH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587149576 EH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587149578 EH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587149579 EH Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1OC ZINC000587149582 EH Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1OC ZINC000587149584 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(C#N)cccc2[nH]1 ZINC000587149637 EH Annotated Mild N[C@H](c1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1F ZINC000587149639 EH Annotated Anodyne COc1cccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 ZINC000587149681 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 ZINC000587149919 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 ZINC000587149922 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3ccccc3F)[nH]c2c1 ZINC000587149947 EH Annotated Anodyne COc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(F)c1 ZINC000587149958 EH Annotated Anodyne CSc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587149995 EH Annotated Bother COc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(F)c1 ZINC000587150011 EH Annotated Bother COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1C ZINC000587150022 EH Annotated Bother C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587150036 EH Annotated Mild C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587150041 EH Annotated Mild N[C@H](c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1F ZINC000587150093 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(OC)cc3F)nc2c1 ZINC000587150133 EH Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnncc3[nH]2)cc1F ZINC000587150141 EH Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cnncc3[nH]2)cc1F ZINC000587150144 EH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)cccc2[nH]1 ZINC000587150183 EH Annotated Anodyne Cc1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150243 EH Annotated Anodyne Cc1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150245 EH Annotated Anodyne Cc1cncc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 ZINC000587150294 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150330 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150331 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150333 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587150334 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCc3ccccc3F)nc12 ZINC000587150458 EH Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c12 ZINC000587150558 EH Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c12 ZINC000587150560 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc12 ZINC000587150607 EH Annotated Bother N[C@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(F)cc1F ZINC000587150628 EH Annotated Anodyne Fc1ccc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(F)c1 ZINC000587150705 EH Annotated Anodyne Fc1ccc(/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(F)c1 ZINC000587150713 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCc3ccccc3F)nc2c1 ZINC000587150914 EH Annotated Anodyne N[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(F)cc1F ZINC000587151056 EH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587151124 EH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587151126 EH Annotated Anodyne N[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(F)cc1F ZINC000587151135 EH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587151144 EH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587151146 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 ZINC000587151223 EH Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 ZINC000587151225 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587151244 EH Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587151246 EH Annotated Bother Fc1cccc([C@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OCCO4)c1F ZINC000587151271 EH Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OCCO4)c1F ZINC000587151284 EH Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OCCO4)c1F ZINC000587151287 EH Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OCCO4)c1F ZINC000587151290 EH Annotated Anodyne N=c1[nH]ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587151299 EH Annotated Anodyne N=c1[nH]ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587151301 EH Annotated Anodyne N=c1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c[nH]1 ZINC000587151367 EH Annotated Anodyne N=c1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c[nH]1 ZINC000587151369 EH Annotated Anodyne O=C1CCc2cc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc2N1 ZINC000587151432 EH Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc2N1 ZINC000587151434 EH Annotated Anodyne O=C1CCc2cc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc2N1 ZINC000587151437 EH Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc2N1 ZINC000587151439 EH Annotated Anodyne Oc1nc2cc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc2[nH]1 ZINC000587151468 EH Annotated Anodyne Oc1nc2cc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc2[nH]1 ZINC000587151469 EH Annotated Anodyne Oc1nc2cc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc2[nH]1 ZINC000587151471 EH Annotated Anodyne Oc1nc2cc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc2[nH]1 ZINC000587151473 EH Annotated Anodyne COC(=O)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151476 EH Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151477 EH Annotated Anodyne COC(=O)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151478 EH Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151479 EH Annotated Anodyne Cc1nc2[nH]c(CCc3ccccc3F)nc2cc1Br ZINC000587151502 EH Annotated Anodyne O=C1CCc2cc3nc(/C=C\c4ccc(F)cc4F)[nH]c3cc2N1 ZINC000587151597 EH Annotated Anodyne O=C1CCc2cc3nc(/C=C/c4ccc(F)cc4F)[nH]c3cc2N1 ZINC000587151598 EH Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C/c3ccc(F)cc3F)nc2cc1OC ZINC000587151610 EH Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C\c3ccc(F)cc3F)nc2cc1OC ZINC000587151612 EH Annotated Anodyne COc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1OC ZINC000587151708 EH Annotated Anodyne COc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1OC ZINC000587151709 EH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587151766 EH Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cncnc4[nH]3)c(F)c2)c(F)c1 ZINC000587151820 EH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587151829 EH Annotated Anodyne N[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(F)cc1F ZINC000587151941 EH Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ncc[nH]c-3n2)cc1F ZINC000587151950 EH Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ncc[nH]c-3n2)cc1F ZINC000587151953 EH Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cnncc4[nH]3)c(F)c2)c(F)c1 ZINC000587152005 EH Annotated Anodyne N[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(F)cc1F ZINC000587152009 EH Annotated Anodyne N[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1F ZINC000587152011 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587152075 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587152077 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587152079 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587152082 EH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587152210 EH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587152213 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 ZINC000587152379 EH Annotated Mild O=C(O)c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1F ZINC000587152500 EH Annotated Anodyne O=C(O)c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1F ZINC000587152501 EH Annotated Anodyne O=C(O)c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1F ZINC000587152502 EH Annotated Anodyne O=C(O)c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1F ZINC000587152503 EH Annotated Anodyne N#Cc1nc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2nc1C#N ZINC000587152588 EH Annotated Mild N[C@H](N=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152811 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152812 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152813 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152814 EH Annotated Anodyne N=c1[nH]c2nc(-c3cccc(-c4ccccc4F)c3)nc-2c(Cl)[nH]1 ZINC000587153008 EH Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F ZINC000587153124 EH Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F ZINC000587153125 EH Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F ZINC000587153127 EH Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F ZINC000587153129 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153410 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153411 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153412 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153413 EH Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cccc(-c4ccccc4F)c3)nc12 ZINC000587153456 EH Annotated Anodyne N[C@@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153811 EH Annotated Bother N[C@@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587153812 EH Annotated Bother N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153813 EH Annotated Bother N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587153814 EH Annotated Bother C[C@@]1(c2nc3c(F)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153827 EH Annotated Anodyne C[C@]1(c2nc3c(F)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587153828 EH Annotated Anodyne C[C@@]1(c2nc3ccc(Cl)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154053 EH Annotated Anodyne C[C@]1(c2nc3ccc(Cl)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154054 EH Annotated Anodyne N[C@@]1(c2nc3cccc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154101 EH Annotated Anodyne N[C@]1(c2nc3cccc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154102 EH Annotated Anodyne N[C@@]1(c2nc3cccc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154103 EH Annotated Anodyne N[C@]1(c2nc3cccc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154104 EH Annotated Anodyne C[C@@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154105 EH Annotated Anodyne C[C@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154106 EH Annotated Anodyne N[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154109 EH Annotated Anodyne N[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154110 EH Annotated Anodyne N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154291 EH Annotated Anodyne N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154292 EH Annotated Anodyne Cc1ccc2c(ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c32)n1 ZINC000587154314 EH Annotated Anodyne Cc1ccc2c(ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c32)n1 ZINC000587154316 EH Annotated Anodyne Cc1ccc2c(ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c32)n1 ZINC000587154317 EH Annotated Anodyne Cc1ccc2c(ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c32)n1 ZINC000587154319 EH Annotated Anodyne CCCc1nc(-c2nc3nccc(C)c3[nH]2)nn1-c1ccccc1F ZINC000587154339 EH Annotated Anodyne C[C@@]1(c2nc3cc(Cl)cnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154405 EH Annotated Anodyne C[C@]1(c2nc3cc(Cl)cnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154406 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ncc(Br)cc3F)nc12 ZINC000587154526 EH Annotated Anodyne Fc1ccc(-c2nc3c(Cl)cncc3[nH]2)nc1Br ZINC000587154564 EH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587154574 EH Annotated Anodyne COc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1F ZINC000587154579 EH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587154589 EH Annotated Anodyne C[C@@]1(c2nc3c(Cl)ccnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154635 EH Annotated Anodyne C[C@]1(c2nc3c(Cl)ccnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154637 EH Annotated Anodyne Fc1cc(F)c2[nH]c(-c3ncc(Br)cc3F)nc2c1 ZINC000587154766 EH Annotated Anodyne Cc1cnc(Cl)c2nc(-c3ccc(F)c(Br)n3)[nH]c12 ZINC000587154933 EH Annotated Anodyne Fc1ccc(-c2nc3ncc(Cl)cc3[nH]2)nc1Br ZINC000587154961 EH Annotated Anodyne COc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1F ZINC000587154999 EH Annotated Anodyne Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)nc1Br ZINC000587155016 EH Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587155022 EH Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587155023 EH Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587155026 EH Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587155027 EH Annotated Anodyne N[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155096 EH Annotated Anodyne CCCc1nc(-c2nc3nc(C)ccc3[nH]2)nn1-c1ccccc1F ZINC000587155099 EH Annotated Anodyne N[C@@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587155105 EH Annotated Anodyne N[C@@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155106 EH Annotated Anodyne N[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587155108 EH Annotated Anodyne CCCc1nc(-c2nc3cc(C#N)ccc3[nH]2)nn1-c1ccccc1F ZINC000587155146 EH Annotated Mild Cc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1F ZINC000587155181 EH Annotated Anodyne Cc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1F ZINC000587155186 EH Annotated Anodyne N[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155250 EH Annotated Anodyne N[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155251 EH Annotated Anodyne N[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155252 EH Annotated Anodyne N[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155253 EH Annotated Anodyne Fc1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)nc1Br ZINC000587155317 EH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587155334 EH Annotated Anodyne COc1cc(-c2nc3ccc(F)c(F)c3[nH]2)nn1-c1ccccc1F ZINC000587155400 EH Annotated Anodyne CCCc1nc(-c2nc3c(C)cncc3[nH]2)nn1-c1ccccc1F ZINC000587155458 EH Annotated Anodyne Fc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1F ZINC000587155460 EH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587155531 EH Annotated Anodyne Fc1ccc(-c2nc3nccc(Cl)c3[nH]2)nc1Br ZINC000587155570 EH Annotated Anodyne Cn1nc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c1O ZINC000587155573 EH Annotated Anodyne CCCc1nc(-c2nc3ccnc(C)c3[nH]2)nn1-c1ccccc1F ZINC000587155586 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc12 ZINC000587155628 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc12 ZINC000587155631 EH Annotated Anodyne C[C@@]1(c2nc3ccc(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155658 EH Annotated Anodyne C[C@]1(c2nc3ccc(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155659 EH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587155723 EH Annotated Anodyne Fc1ccc(-c2nc3c(Cl)nccc3[nH]2)nc1Br ZINC000587155728 EH Annotated Anodyne CCCc1nc(-c2nc3c(C#N)cccc3[nH]2)nn1-c1ccccc1F ZINC000587155769 EH Annotated Mild COc1cc(-c2nc3cc(F)c(F)cc3[nH]2)nn1-c1ccccc1F ZINC000587155797 EH Annotated Anodyne Fc1cc(F)c2nc(-c3ccc(F)c(Br)n3)[nH]c2c1 ZINC000587155829 EH Annotated Anodyne Fc1ccc(-c2nc3cnc(Cl)cc3[nH]2)nc1Br ZINC000587155902 EH Annotated Anodyne COc1cc(-c2nc3cccc(F)c3[nH]2)nn1-c1ccccc1F ZINC000587155943 EH Annotated Anodyne COc1cc(-c2nc3cc(Cl)cnc3[nH]2)nn1-c1ccccc1F ZINC000587155959 EH Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587156011 EH Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587156012 EH Annotated Anodyne N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156027 EH Annotated Anodyne N[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H]1c1ccccc1F ZINC000587156028 EH Annotated Anodyne N[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156029 EH Annotated Anodyne N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H]1c1ccccc1F ZINC000587156030 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1 ZINC000587156081 EH Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 ZINC000587156082 EH Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 ZINC000587156083 EH Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 ZINC000587156084 EH Annotated Mild Fc1cc(Br)cnc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587156119 EH Annotated Anodyne Fc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)nc1Br ZINC000587156129 EH Annotated Anodyne Fc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1F ZINC000587156157 EH Annotated Anodyne COc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1C ZINC000587156175 EH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587156176 EH Annotated Anodyne Fc1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)nc1Br ZINC000587156197 EH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587156208 EH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587156217 EH Annotated Anodyne CCCc1nc(-c2nc3ncc(C)cc3[nH]2)nn1-c1ccccc1F ZINC000587156281 EH Annotated Anodyne COc1cc(-c2nc3cc(F)cc(F)c3[nH]2)nn1-c1ccccc1F ZINC000587156354 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc2c1 ZINC000587156382 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc2c1 ZINC000587156383 EH Annotated Anodyne COc1cc(-c2nc3c(Cl)ccnc3[nH]2)nn1-c1ccccc1F ZINC000587156451 EH Annotated Anodyne COc1cccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c12 ZINC000587156511 EH Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587156524 EH Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587156525 EH Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587156526 EH Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587156527 EH Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587156550 EH Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587156551 EH Annotated Anodyne CCCc1nc(-c2nc3c(O)cccc3[nH]2)nn1-c1ccccc1F ZINC000587156553 EH Annotated Anodyne C[C@@]1(c2nc3cc(F)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156626 EH Annotated Anodyne C[C@]1(c2nc3cc(F)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156627 EH Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587156717 EH Annotated Anodyne N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156722 EH Annotated Anodyne N[C@@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587156723 EH Annotated Anodyne N[C@@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156724 EH Annotated Anodyne N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587156725 EH Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587156726 EH Annotated Anodyne C[C@@]1(c2nc3cc(F)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156743 EH Annotated Anodyne C[C@]1(c2nc3cc(F)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156744 EH Annotated Anodyne COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1C ZINC000587156747 EH Annotated Anodyne COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1C ZINC000587156755 EH Annotated Anodyne COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1F ZINC000587156789 EH Annotated Anodyne COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1F ZINC000587156797 EH Annotated Anodyne CCCc1nc(-c2nc3cc(O)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156834 EH Annotated Anodyne Cc1c(Br)cnc2nc(-c3ccc(F)cc3C#N)[nH]c12 ZINC000587156931 EH Annotated Mild CC(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 ZINC000587156978 EH Annotated Anodyne N[C@@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587156991 EH Annotated Anodyne N[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587156992 EH Annotated Anodyne N[C@@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156993 EH Annotated Anodyne N[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156994 EH Annotated Anodyne COc1cc(-c2nc3ccnc(Cl)c3[nH]2)nn1-c1ccccc1F ZINC000587157086 EH Annotated Anodyne COc1cc(-c2nc3cncc(Cl)c3[nH]2)nn1-c1ccccc1F ZINC000587157115 EH Annotated Anodyne COc1cc(-c2nc3ccc(F)cc3[nH]2)nn1-c1ccccc1F ZINC000587157120 EH Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(F)cc3C#N)[nH]c2c1 ZINC000587157195 EH Annotated Mild COc1cc(-c2nc3c(C)nc(C)cc3[nH]2)nn1-c1ccccc1F ZINC000587157228 EH Annotated Anodyne COc1cc(-c2nc3cc(Cl)ncc3[nH]2)nn1-c1ccccc1F ZINC000587157252 EH Annotated Anodyne CC(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 ZINC000587157339 EH Annotated Anodyne CC(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 ZINC000587157340 EH Annotated Anodyne CC(C)Oc1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587157369 EH Annotated Anodyne CC(C)Oc1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587157370 EH Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587157371 EH Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587157372 EH Annotated Anodyne COc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1C ZINC000587157433 EH Annotated Anodyne Cc1nc2nc(-c3ccc(F)cc3C#N)[nH]c2cc1Br ZINC000587157446 EH Annotated Mild Nc1ccnc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c12 ZINC000587157627 EH Annotated Anodyne Oc1nccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587157777 EH Annotated Anodyne N[C@]1(c2nc3ccc(Br)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157885 EH Annotated Anodyne N[C@@]1(c2nc3ccc(Br)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157886 EH Annotated Anodyne N[C@]1(c2nc3ccc(Br)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157887 EH Annotated Anodyne N[C@@]1(c2nc3ccc(Br)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157888 EH Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000587157925 EH Annotated Mild N=c1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c[nH]1 ZINC000587158081 EH Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587158268 EH Annotated Mild COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1C ZINC000587158333 EH Annotated Bother O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)nccc3[nH]2)cc1 ZINC000587158460 EH Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587158549 EH Annotated Mild C[C@@]1(c2nc3cncc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158566 EH Annotated Anodyne C[C@]1(c2nc3cncc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158569 EH Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 ZINC000587158633 EH Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587158726 EH Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cnc3ccccc3c2[nH]1 ZINC000587158841 EH Annotated Bother Cc1c(F)ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587158867 EH Annotated Anodyne Cc1c(F)ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587158869 EH Annotated Anodyne N=c1[nH]ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 ZINC000587158943 EH Annotated Anodyne COc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Cl ZINC000587158954 EH Annotated Anodyne COc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Cl ZINC000587158956 EH Annotated Anodyne COc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Cl ZINC000587158957 EH Annotated Anodyne COc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Cl ZINC000587158958 EH Annotated Anodyne C[C@@]1(c2nc3ccnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159106 EH Annotated Anodyne C[C@]1(c2nc3ccnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159108 EH Annotated Anodyne C[C@@]1(c2nc3cc(Cl)ncc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159120 EH Annotated Anodyne C[C@]1(c2nc3cc(Cl)ncc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159121 EH Annotated Anodyne CC(C)(C)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2n1 ZINC000587159589 EH Annotated Bother N#Cc1cc(Cl)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 ZINC000587159704 EH Annotated Mild CSc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587159711 EH Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc3ncccc3c2[nH]1 ZINC000587159758 EH Annotated Bother C=CCc1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587159797 EH Annotated Mild CC(C)Oc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587159801 EH Annotated Bother N=c1[nH]ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159831 EH Annotated Anodyne N=c1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c[nH]1 ZINC000587159845 EH Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587160001 EH Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 ZINC000587160075 EH Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587160084 EH Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)c1 ZINC000587160157 EH Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587160199 EH Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000587160221 EH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1 ZINC000587160235 EH Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587160240 EH Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587160268 EH Annotated Bother Fc1cccc(Cn2nnc(-c3nc4ccccc4[nH]3)c2Cl)c1 ZINC000587160306 EH Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cnnc(O)c4[nH]3)c2)c1 ZINC000587160374 EH Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000587160400 EH Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4c(O)ncnc4[nH]3)c2)c1 ZINC000587160409 EH Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587160548 EH Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)c1 ZINC000587160562 EH Annotated Anodyne Cc1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587160726 EH Annotated Anodyne N#Cc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1C#N ZINC000587160833 EH Annotated Mild Fc1cc(Br)cc(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587160999 EH Annotated Anodyne OCCc1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 ZINC000587161008 EH Annotated Anodyne Fc1cc(Br)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587161009 EH Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587161047 EH Annotated Anodyne Cc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587161137 EH Annotated Anodyne Fc1cc(Br)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587161180 EH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cccc(F)c4[nH]3)c2Cl)c1 ZINC000587161311 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 ZINC000587161377 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 ZINC000587161378 EH Annotated Anodyne Oc1nc2cc3nc(-c4cc(F)cc(Br)c4)[nH]c3cc2[nH]1 ZINC000587161569 EH Annotated Anodyne O=C(CCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(F)cc1 ZINC000587161703 EH Annotated Anodyne COc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1OC ZINC000587161736 EH Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1 ZINC000587161784 EH Annotated Anodyne O=C(CCc1nc2cncc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587161796 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2cc1OC ZINC000587161834 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2cc1OC ZINC000587161835 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2cc1OC ZINC000587161836 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2cc1OC ZINC000587161837 EH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(F)cc4[nH]3)c2Cl)c1 ZINC000587161844 EH Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587162040 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587162042 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587162045 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587162048 EH Annotated Bother O=C(CCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(F)cc1 ZINC000587162087 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCC(=O)Nc3cccc(F)c3)nc12 ZINC000587162186 EH Annotated Anodyne N=c1nc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2c(Cl)[nH]1 ZINC000587162481 EH Annotated Anodyne O=C(CCc1nc2ccc(Br)nc2[nH]1)c1ccc(F)cc1 ZINC000587162597 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 ZINC000587162621 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 ZINC000587162622 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 ZINC000587162624 EH Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 ZINC000587162627 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1OC ZINC000587162658 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1OC ZINC000587162660 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1OC ZINC000587162663 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1OC ZINC000587162665 EH Annotated Anodyne O=C(CCc1nc2ccnc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587162667 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587162825 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587162828 EH Annotated Anodyne CCOC(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000587163112 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587163176 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587163179 EH Annotated Anodyne Cc1cc2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2cc1[N+](=O)[O-] ZINC000587163192 EH Annotated Bother Cc1cc2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2cc1[N+](=O)[O-] ZINC000587163193 EH Annotated Bother CSc1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 ZINC000587163326 EH Annotated Anodyne N=c1[nH]cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)nc-2[nH]1 ZINC000587163371 EH Annotated Anodyne N=c1[nH]cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)nc-2[nH]1 ZINC000587163374 EH Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccnc(O)c2[nH]1 ZINC000587163452 EH Annotated Anodyne Oc1ncnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 ZINC000587163482 EH Annotated Anodyne Oc1ncnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 ZINC000587163483 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587163551 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587163553 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587163559 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587163560 EH Annotated Anodyne O=C(CCc1nc2c(Br)ccnc2[nH]1)c1ccc(F)cc1 ZINC000587163579 EH Annotated Anodyne CC(C)(C)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2n1 ZINC000587163697 EH Annotated Anodyne Nc1ncnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 ZINC000587163817 EH Annotated Anodyne Nc1ncnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 ZINC000587163819 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587163931 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587163932 EH Annotated Anodyne COc1cc(OC)c2[nH]c(CCC(=O)c3ccc(F)cc3)nc2c1 ZINC000587163984 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587163993 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587163994 EH Annotated Anodyne O=C(CCc1nc2ccc3ncccc3c2[nH]1)Nc1cccc(F)c1 ZINC000587163995 EH Annotated Anodyne O=C(CCc1nc2cc(Br)ncc2[nH]1)c1ccc(F)cc1 ZINC000587163998 EH Annotated Anodyne Nc1ccnc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 ZINC000587164038 EH Annotated Anodyne O=C(CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587164045 EH Annotated Bother CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587164049 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587164052 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587164111 EH Annotated Bother CN(C)[C@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587164119 EH Annotated Bother Oc1nncc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164120 EH Annotated Anodyne Oc1nncc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164123 EH Annotated Anodyne O=C(CCc1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1 ZINC000587164223 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587164336 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587164337 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587164357 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587164358 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587164416 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587164417 EH Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587164535 EH Annotated Mild CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587164536 EH Annotated Mild CN(C)[C@@H](c1ccc(F)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587164584 EH Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587164585 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(F)c(F)cc4[nH]3)c2)cc1 ZINC000587164801 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4ccnc(Cl)c4[nH]3)c2)cc1 ZINC000587164803 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4ccc(F)c(F)c4[nH]3)c2)cc1 ZINC000587164805 EH Annotated Anodyne COc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1F ZINC000587164964 EH Annotated Anodyne O=[N+]([O-])c1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 ZINC000587164970 EH Annotated Bother Fc1ccc(-c2cnn(Cc3nc4c(F)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587165002 EH Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 ZINC000587165011 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4ccc(Cl)nc4[nH]3)c2)cc1 ZINC000587165022 EH Annotated Anodyne COc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1C ZINC000587165030 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4c(Cl)ccnc4[nH]3)c2)cc1 ZINC000587165036 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cncc(Cl)c4[nH]3)c2)cc1 ZINC000587165187 EH Annotated Anodyne N#Cc1nc2nc(-c3sccc3-c3ccc(F)cc3)nc-2[nH]c1C#N ZINC000587165287 EH Annotated Mild CC(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 ZINC000587165298 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Cl)cnc4[nH]3)c2)cc1 ZINC000587165346 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Cl)ncc4[nH]3)c2)cc1 ZINC000587165421 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc12 ZINC000587165506 EH Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(F)cc(F)c4[nH]3)c2)cc1 ZINC000587165553 EH Annotated Anodyne O=[N+]([O-])c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 ZINC000587165569 EH Annotated Bother Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166408 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166476 EH Annotated Mild N#Cc1cc(Cl)c2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166480 EH Annotated Mild O=C(/C=C\c1nc2ccc3ncccc3c2[nH]1)Nc1ccc(F)cc1 ZINC000587166520 EH Annotated Anodyne O=C(/C=C/c1nc2ccc3ncccc3c2[nH]1)Nc1ccc(F)cc1 ZINC000587166521 EH Annotated Anodyne O=C(/C=C/c1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166785 EH Annotated Anodyne O=C(/C=C\c1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166786 EH Annotated Anodyne N#Cc1cccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167213 EH Annotated Mild N#Cc1cccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167214 EH Annotated Mild O=C(/C=C\c1nc2cnc3ccccc3c2[nH]1)Nc1ccc(F)cc1 ZINC000587167541 EH Annotated Anodyne O=C(/C=C/c1nc2cnc3ccccc3c2[nH]1)Nc1ccc(F)cc1 ZINC000587167542 EH Annotated Anodyne COc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587167753 EH Annotated Anodyne Cc1cc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c(C)n1 ZINC000587167800 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc12 ZINC000587167861 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(F)cc3)nc2c1 ZINC000587167865 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc12 ZINC000587167866 EH Annotated Anodyne Cc1nc2[nH]c(COc3ccc(F)cc3)nc2cc1Br ZINC000587167967 EH Annotated Anodyne Fc1ccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587168004 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587168039 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587168040 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587168045 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587168047 EH Annotated Anodyne N#Cc1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168203 EH Annotated Mild Cc1cnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 ZINC000587168282 EH Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4ccc(F)cc4[nH]3)c2C2CC2)cc1 ZINC000587168289 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587168373 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587168374 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587168416 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587168417 EH Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 ZINC000587168440 EH Annotated Anodyne Cc1ccnc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 ZINC000587168441 EH Annotated Anodyne Oc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587168569 EH Annotated Anodyne Oc1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168573 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 ZINC000587168711 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(COc3ccc(F)cc3)nc2c1 ZINC000587168817 EH Annotated Mild C[C@@H](Oc1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587168820 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587168821 EH Annotated Anodyne Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2n1 ZINC000587168870 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2cc1OC ZINC000587168938 EH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2cc1OC ZINC000587168939 EH Annotated Anodyne N#Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587168942 EH Annotated Mild Oc1c(Br)ccc2nc(COc3ccc(F)cc3)[nH]c12 ZINC000587169064 EH Annotated Anodyne Cc1nccc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 ZINC000587169087 EH Annotated Anodyne COc1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587169101 EH Annotated Anodyne Cc1cncc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587169167 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2c1OC ZINC000587169186 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c1OC ZINC000587169187 EH Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cccc(F)c4[nH]3)c2C2CC2)cc1 ZINC000587169217 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587169465 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587169467 EH Annotated Anodyne Fc1ccc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587169483 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587169495 EH Annotated Bother C[C@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587169497 EH Annotated Bother C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587169531 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587169532 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587169540 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587169541 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587169548 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587169549 EH Annotated Anodyne Fc1ccc(OCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587169573 EH Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587169586 EH Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587169587 EH Annotated Anodyne CC(C)Oc1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587170519 EH Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(Cl)c(F)cc4[nH]3)c1)OCOC2 ZINC000587170544 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2n1 ZINC000587170600 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2n1 ZINC000587170601 EH Annotated Anodyne Fc1cc2c(c(Cc3nc4cnc5ccccc5c4[nH]3)c1)OCOC2 ZINC000587171061 EH Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2n1 ZINC000587171279 EH Annotated Anodyne CSc1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171297 EH Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587171502 EH Annotated Bother C[C@@H](CSc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587171504 EH Annotated Bother Fc1cc2c(c(Cc3nc4cc(Cl)cc(F)c4[nH]3)c1)OCOC2 ZINC000587171519 EH Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(F)c(F)c(F)c4[nH]3)c1)OCOC2 ZINC000587171616 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)CSc3ccc(F)cc3)nc12 ZINC000587171694 EH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)CSc3ccc(F)cc3)nc12 ZINC000587171696 EH Annotated Anodyne Fc1cc2c(c(Cc3nc4ccc5ncccc5c4[nH]3)c1)OCOC2 ZINC000587171837 EH Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587171884 EH Annotated Bother C[C@@H](CSc1ccc(F)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587171887 EH Annotated Bother C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171999 EH Annotated Anodyne C[C@]1(c2nc3ccc(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172000 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc12 ZINC000587172136 EH Annotated Anodyne COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Cl ZINC000587172147 EH Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cn1 ZINC000587172174 EH Annotated Anodyne COC(=O)c1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cn1 ZINC000587172175 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1 ZINC000587172179 EH Annotated Mild C[C@@]1(c2nc3cccc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172407 EH Annotated Anodyne C[C@]1(c2nc3cccc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172408 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc12 ZINC000587172909 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc12 ZINC000587172910 EH Annotated Anodyne O=c1c(-c2nc3cccnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172952 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 ZINC000587173252 EH Annotated Anodyne Cc1cc(F)c2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 ZINC000587173253 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)O2 ZINC000587173291 EH Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)O2 ZINC000587173293 EH Annotated Anodyne CC(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173316 EH Annotated Anodyne CC(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173321 EH Annotated Anodyne Cc1nc2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2cc1Br ZINC000587173399 EH Annotated Anodyne Cc1nc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2cc1Br ZINC000587173507 EH Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Cl ZINC000587173516 EH Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Cl ZINC000587173517 EH Annotated Bother Fc1ccc2c(c1)C[C@H](c1nc3cncc(Br)c3[nH]1)O2 ZINC000587173536 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cncc(Br)c3[nH]1)O2 ZINC000587173537 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2c1 ZINC000587173562 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2c1 ZINC000587173563 EH Annotated Anodyne COc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1C ZINC000587173568 EH Annotated Anodyne COc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1C ZINC000587173569 EH Annotated Anodyne C[C@@]1(c2nc3ccc(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173574 EH Annotated Anodyne C[C@]1(c2nc3ccc(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173575 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCCO4)O2 ZINC000587173598 EH Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)O2 ZINC000587173599 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587173600 EH Annotated Anodyne Oc1c(Br)ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587173601 EH Annotated Anodyne O=c1c(-c2nc3cnccc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173627 EH Annotated Anodyne C[C@@]1(c2nc3c(F)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173685 EH Annotated Anodyne C[C@]1(c2nc3c(F)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173686 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)O2 ZINC000587173727 EH Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)O2 ZINC000587173728 EH Annotated Anodyne C[C@@]1(c2nc3cc(F)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173829 EH Annotated Anodyne C[C@]1(c2nc3cc(F)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173831 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1OC ZINC000587173892 EH Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)cnc3[nH]1)O2 ZINC000587174105 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cnc3[nH]1)O2 ZINC000587174106 EH Annotated Anodyne C[C@@]1(c2nc3cnc4ccccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174150 EH Annotated Anodyne C[C@]1(c2nc3cnc4ccccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174151 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587174207 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587174209 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 ZINC000587174310 EH Annotated Bother COC(=O)c1ccnc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc12 ZINC000587174387 EH Annotated Anodyne Fc1ccc2c(-c3nc4nc(Br)c[nH]c-4n3)coc2c1 ZINC000587174448 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc12 ZINC000587174469 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc12 ZINC000587174471 EH Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3ccc(Br)nc3[nH]1)O2 ZINC000587174657 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)nc3[nH]1)O2 ZINC000587174658 EH Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)ncc3[nH]1)O2 ZINC000587174688 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)ncc3[nH]1)O2 ZINC000587174690 EH Annotated Anodyne Cc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1F ZINC000587174715 EH Annotated Anodyne Cc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1F ZINC000587174716 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2n1 ZINC000587174845 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2c(C)c(Br)ccc2[nH]1 ZINC000587174895 EH Annotated Anodyne C[C@@]1(c2nc3ccc4ncccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174936 EH Annotated Anodyne C[C@]1(c2nc3ccc4ncccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174937 EH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3coc4cc(F)ccc34)nc2cc1OC ZINC000587175088 EH Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3c(Br)ccnc3[nH]1)O2 ZINC000587175094 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1[N+](=O)[O-] ZINC000587175103 EH Annotated Bother Fc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccnc3[nH]1)O2 ZINC000587175235 EH Annotated Anodyne Cc1c(F)ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587175258 EH Annotated Anodyne Cc1c(F)ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587175259 EH Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)O2 ZINC000587175271 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)O2 ZINC000587175272 EH Annotated Anodyne C[C@@]1(c2nc3cc(F)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175341 EH Annotated Anodyne C[C@]1(c2nc3cc(F)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175342 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 ZINC000587175376 EH Annotated Mild COc1ncc(F)cc1-c1nc2c(Br)cc(C)cc2[nH]1 ZINC000587175379 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587175409 EH Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587175413 EH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc2c1 ZINC000587175490 EH Annotated Bother COc1ncc(F)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587175526 EH Annotated Bother Fc1ccc2c(c1)C[C@H](c1nc3ccnc(Br)c3[nH]1)O2 ZINC000587175561 EH Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3ccnc(Br)c3[nH]1)O2 ZINC000587175563 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000587175573 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(Br)c(C)cc2[nH]1 ZINC000587175722 EH Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587175796 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587175843 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587175873 EH Annotated Bother Oc1c(Br)ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 ZINC000587175931 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000587176067 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587176089 EH Annotated Anodyne Fc1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1-n1cccn1 ZINC000587176093 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Cl ZINC000587176117 EH Annotated Bother COc1ncc(F)cc1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587176124 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587176358 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 ZINC000587176359 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2c(C)cc(Br)cc2[nH]1 ZINC000587176383 EH Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587176392 EH Annotated Anodyne Fc1cccc2c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)n[nH]c12 ZINC000587176453 EH Annotated Anodyne Fc1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1-n1cccn1 ZINC000587176473 EH Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 ZINC000587176484 EH Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cnc2c(F)cccc12 ZINC000587176510 EH Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587176627 EH Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587176647 EH Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587176648 EH Annotated Anodyne COc1ncc(F)cc1-c1nc2c(OC(F)(F)F)cccc2[nH]1 ZINC000587176655 EH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cncc(F)c3)[nH]c21 ZINC000587176665 EH Annotated Clean Fc1cncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587176689 EH Annotated Anodyne Cc1c(Br)cnc2nc(-c3n[nH]c4c(F)cccc34)[nH]c12 ZINC000587176739 EH Annotated Anodyne Nc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176741 EH Annotated Bother O=[N+]([O-])c1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Cl ZINC000587176800 EH Annotated Bother Nc1c(-c2nc3c(F)cnc(Cl)c3[nH]2)cnc2c(F)cccc12 ZINC000587176805 EH Annotated Anodyne Cc1nc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1Br ZINC000587176808 EH Annotated Anodyne Fc1cncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587176883 EH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cnc4c(F)cccc4c3N)nc2c1 ZINC000587176910 EH Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cnc2c(F)cccc12 ZINC000587176985 EH Annotated Anodyne Cc1cc2[nH]c(-c3cnc4c(F)cccc4c3N)nc2cc1[N+](=O)[O-] ZINC000587177037 EH Annotated Bother N#Cc1cc(Cl)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 ZINC000587177186 EH Annotated Mild Fc1cc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1-n1cccn1 ZINC000587177231 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)nc3F)nc2c1 ZINC000587177242 EH Annotated Anodyne Fc1cc(-c2nc3cnc4ccccc4c3[nH]2)cc(N2CCCC2)n1 ZINC000587177245 EH Annotated Anodyne Fc1cncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587177272 EH Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2cncc(Br)c2[nH]1 ZINC000587177358 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc12 ZINC000587177370 EH Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587177377 EH Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587177387 EH Annotated Anodyne COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1C ZINC000587177406 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 ZINC000587177424 EH Annotated Anodyne Fc1cc(-c2nc3ccc4ncccc4c3[nH]2)cc(N2CCCC2)n1 ZINC000587177426 EH Annotated Anodyne Cc1cc2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2cc1[N+](=O)[O-] ZINC000587177441 EH Annotated Bother Cc1nc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1Br ZINC000587177569 EH Annotated Anodyne COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1F ZINC000587177578 EH Annotated Anodyne Fc1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177594 EH Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587177603 EH Annotated Anodyne Oc1c(Br)ccc2nc(-c3ccc(Cl)nc3F)[nH]c12 ZINC000587177623 EH Annotated Anodyne Fc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177638 EH Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587177646 EH Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587177713 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1Cl ZINC000587177714 EH Annotated Bother Fc1nc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587177781 EH Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cc(Br)cnc3F)nc2c1 ZINC000587177832 EH Annotated Anodyne Fc1ncc(Br)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587177861 EH Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cccc(F)c3[nH]2)c1 ZINC000587177893 EH Annotated Unstable Fc1cc2nc(-c3cc(Br)cnc3F)[nH]c2c(F)c1F ZINC000587177928 EH Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000587177940 EH Annotated Unstable COc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1F ZINC000587177950 EH Annotated Anodyne COc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1C ZINC000587177952 EH Annotated Anodyne Fc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1F ZINC000587177971 EH Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000587177994 EH Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000587178017 EH Annotated Unstable Fc1ncc(Br)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587178048 EH Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000587178105 EH Annotated Unstable Cc1cc(F)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 ZINC000587178107 EH Annotated Unstable Fc1ncc(Br)cc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587178128 EH Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587178145 EH Annotated Anodyne Fc1ncc(Br)cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587178197 EH Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000587178202 EH Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000587178263 EH Annotated Unstable Fc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1F ZINC000587178269 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(Br)cnc3F)nc12 ZINC000587178273 EH Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000587178279 EH Annotated Unstable Fc1ncc(Br)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587178292 EH Annotated Anodyne Ic1cccc(/C=C\c2nc3cccnc3[nH]2)c1 ZINC000587184001 EH Annotated Anodyne Ic1cccc(/C=C/c2nc3cccnc3[nH]2)c1 ZINC000587184002 EH Annotated Anodyne Cc1ccc2nc(-c3cncc(I)c3)[nH]c2c1C ZINC000587184044 EH Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cncc(I)c3)nc12 ZINC000587184047 EH Annotated Anodyne Cc1cc2nc(-c3cncc(I)c3)[nH]c2cc1C ZINC000587184094 EH Annotated Anodyne Ic1cccc(/C=C\c2nc3cnccc3[nH]2)c1 ZINC000587184747 EH Annotated Anodyne Ic1cccc(/C=C/c2nc3cnccc3[nH]2)c1 ZINC000587184749 EH Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587184955 EH Annotated Anodyne Cc1cccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185499 EH Annotated Anodyne CCc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 ZINC000587185688 EH Annotated Anodyne N#C/C(=C/c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587186955 EH Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587186956 EH Annotated Reactive C[C@H](C#N)c1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587186997 EH Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587187000 EH Annotated Mild N#Cc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1O ZINC000587187042 EH Annotated Mild Cc1c(Br)ccc2nc(-c3cc(O)cc(C#N)c3)[nH]c12 ZINC000587187103 EH Annotated Mild N#C/C(=C\c1ccccc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587187156 EH Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587187157 EH Annotated Reactive N#Cc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1O ZINC000587187253 EH Annotated Mild N#C/C(=C\c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587187258 EH Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587187259 EH Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587187404 EH Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587187405 EH Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587187478 EH Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587187479 EH Annotated Reactive CCOC(=O)Cc1ccc2nc(-c3cccc([C@H](C)C#N)c3)[nH]c2c1 ZINC000587187538 EH Annotated Mild COC(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1OC ZINC000587187539 EH Annotated Reactive CCOC(=O)Cc1ccc2nc(-c3cccc([C@@H](C)C#N)c3)[nH]c2c1 ZINC000587187540 EH Annotated Mild COC(=O)c1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1OC ZINC000587187543 EH Annotated Reactive Cc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1C#N ZINC000587187605 EH Annotated Mild Cc1cc(Br)c2[nH]c(-c3ccc(O)c(C#N)c3)nc2c1 ZINC000587187627 EH Annotated Mild Cc1ccc(/C=C(\C#N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000587187659 EH Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000587187661 EH Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 ZINC000587187665 EH Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 ZINC000587187668 EH Annotated Reactive N#Cc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1O ZINC000587187805 EH Annotated Mild N#C/C(=C\c1ccccc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587187886 EH Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587187887 EH Annotated Reactive N#Cc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1O ZINC000587187976 EH Annotated Mild Cc1c(Br)ccc2nc(-c3ccc(O)c(C#N)c3)[nH]c12 ZINC000587188007 EH Annotated Mild CCOC(=O)Cc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 ZINC000587188030 EH Annotated Reactive CCOC(=O)Cc1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 ZINC000587188033 EH Annotated Reactive Cc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1C#N ZINC000587188078 EH Annotated Mild Cc1ccc(/C=C(\C#N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587188173 EH Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587188174 EH Annotated Reactive Cc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1C#N ZINC000587188370 EH Annotated Mild N#C/C(=C\c1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000587188407 EH Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000587188408 EH Annotated Reactive COC(=O)c1cc2[nH]c(/C(C#N)=C/c3ccc(C)cc3)nc2cc1OC ZINC000587188440 EH Annotated Reactive COC(=O)c1cc2[nH]c(/C(C#N)=C\c3ccc(C)cc3)nc2cc1OC ZINC000587188441 EH Annotated Reactive N#Cc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1O ZINC000587188572 EH Annotated Mild COC(=O)c1ccc2nc(-c3cccc([C@H](C)C#N)c3)[nH]c2c1OC ZINC000587188597 EH Annotated Mild COC(=O)c1ccc2nc(-c3cccc([C@@H](C)C#N)c3)[nH]c2c1OC ZINC000587188599 EH Annotated Mild Cc1cc(Br)cc2nc(-c3ccc(O)c(C#N)c3)[nH]c12 ZINC000587188611 EH Annotated Mild Cc1ccc(/C=C(/C#N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587188726 EH Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587188728 EH Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587188798 EH Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587188799 EH Annotated Reactive Cc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1C#N ZINC000587188840 EH Annotated Mild Cc1ccc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587188911 EH Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587188914 EH Annotated Reactive N#Cc1cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)ccc1O ZINC000587189096 EH Annotated Mild N#Cc1ccc(OCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000587189333 EH Annotated Mild Brc1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 ZINC000587189396 EH Annotated Mild C=C(CN(C)C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587189400 EH Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587189424 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587189468 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587189475 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587189480 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587189484 EH Annotated Mild N#Cc1cc(O)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587189486 EH Annotated Mild Brc1cccc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587189510 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587189519 EH Annotated Mild C=C(CN(C)C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587189520 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587189522 EH Annotated Mild C=C(CN(C)C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587189588 EH Annotated Mild N#Cc1ccc(OCc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587189591 EH Annotated Mild C=C(CN(C)C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587189614 EH Annotated Mild O=NCc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000587189791 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c2c1 ZINC000587189803 EH Annotated Mild CCOC(=O)Cc1ccc2nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c2c1 ZINC000587189807 EH Annotated Mild N#Cc1cc(O)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587189836 EH Annotated Mild Cc1cc2nc(-c3cc(O)cc(C#N)c3)[nH]c2cc1Br ZINC000587189838 EH Annotated Mild O=[N+]([O-])c1cc2[nH]c(C=NOCc3ccccc3)nc2cc1Cl ZINC000587189867 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587190053 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587190055 EH Annotated Mild N#Cc1ccc(OCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587190213 EH Annotated Mild N#Cc1ccc(OCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587190215 EH Annotated Mild N#Cc1ccc(OCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587190329 EH Annotated Mild N#Cc1ccc(OCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587190360 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587190402 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587190404 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587190475 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587190478 EH Annotated Mild CCCOc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br ZINC000587190531 EH Annotated Anodyne N#Cc1ccc(OCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000587190535 EH Annotated Mild Cc1nc2nc(C=NOCc3ccccc3)[nH]c2cc1Br ZINC000587190539 EH Annotated Mild CCCOc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br ZINC000587190540 EH Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(O)cc(C#N)c3)[nH]c12 ZINC000587190575 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587190639 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587190641 EH Annotated Mild C=C(CN(C)C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587190667 EH Annotated Mild N#Cc1ccc(OCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587190719 EH Annotated Mild C=C(CN(C)C)c1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587190754 EH Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccnc2[nH]1 ZINC000587190791 EH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccnc2[nH]1 ZINC000587190793 EH Annotated Anodyne O=NCc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000587190858 EH Annotated Anodyne Cc1c(Br)cnc2nc(C=NOCc3ccccc3)[nH]c12 ZINC000587190881 EH Annotated Mild CCOC(=O)c1ccc2nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c2c1 ZINC000587190929 EH Annotated Mild CCOC(=O)c1ccc2nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c2c1 ZINC000587190931 EH Annotated Mild Oc1c(Br)ccc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587191292 EH Annotated Mild Cc1nc2nc(-c3ccc(CN=O)cc3)[nH]c2cc1Br ZINC000587191364 EH Annotated Anodyne COC(=O)c1cc(Cl)c2nc(C=NOCc3ccccc3)[nH]c2c1 ZINC000587191370 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587191461 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587191463 EH Annotated Mild Cc1cc(Br)c2[nH]c(-c3cc(O)cc(C#N)c3)nc2c1 ZINC000587191540 EH Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cnccc2[nH]1 ZINC000587191641 EH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cnccc2[nH]1 ZINC000587191642 EH Annotated Anodyne N#Cc1ccc(OCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587191678 EH Annotated Mild N#Cc1cc(O)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587191820 EH Annotated Mild N#Cc1ccc(OCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587191825 EH Annotated Mild N#Cc1ccc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587191907 EH Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587192004 EH Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1 ZINC000587192178 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587192264 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587192265 EH Annotated Mild N#Cc1cc(O)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587192287 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587192317 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587192319 EH Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587192349 EH Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587192354 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587192355 EH Annotated Mild CC(C)Oc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br ZINC000587192672 EH Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br ZINC000587192673 EH Annotated Anodyne CN(CCO)c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 ZINC000587192739 EH Annotated Clean Cc1ccc2c(ccc3[nH]c(-c4ccc(N(C)CCO)cc4)nc32)n1 ZINC000587192913 EH Annotated Clean CN(CCO)c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 ZINC000587193326 EH Annotated Clean Cc1cc(C)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587193841 EH Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587193844 EH Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587194217 EH Annotated Anodyne CN(C)c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)nc1 ZINC000587194303 EH Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587194306 EH Annotated Anodyne CN(C)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)nc1 ZINC000587194468 EH Annotated Anodyne CN(C)c1ccc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)nc1 ZINC000587194474 EH Annotated Mild CN(C)c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)nc1 ZINC000587194493 EH Annotated Anodyne CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nc1 ZINC000587194523 EH Annotated Bother CN(C)c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)nc1 ZINC000587194690 EH Annotated Anodyne CN(C)c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)nc1 ZINC000587194731 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587194763 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587194765 EH Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3ccc(N(C)C)cn3)nc12 ZINC000587194768 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000587194780 EH Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000587194782 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587194818 EH Annotated Mild C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587194823 EH Annotated Mild COc1cc(OC)c2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000587194825 EH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2c1 ZINC000587194828 EH Annotated Anodyne COc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1OC ZINC000587194865 EH Annotated Anodyne COc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1OC ZINC000587194866 EH Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(N(C)C)cn3)[nH]c2c1 ZINC000587194965 EH Annotated Anodyne CN(C)c1ncccc1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587195056 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587195069 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587195071 EH Annotated Anodyne CN(C)c1ncccc1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587195090 EH Annotated Anodyne Nc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1N ZINC000587195097 EH Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3ccc(N(C)C)cn3)nc12 ZINC000587195111 EH Annotated Anodyne Nc1ccnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587195145 EH Annotated Anodyne Cc1cc(Br)c2nc(-c3cccnc3N(C)C)[nH]c2c1 ZINC000587195173 EH Annotated Anodyne Cc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br ZINC000587195192 EH Annotated Anodyne N=c1[nH]ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587195326 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587195439 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587195441 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587195483 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587195486 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587195493 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587195496 EH Annotated Anodyne CN(C)c1ncccc1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 ZINC000587195565 EH Annotated Anodyne CN(C)c1ncccc1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587195568 EH Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cccnc3N(C)C)nc12 ZINC000587195604 EH Annotated Anodyne CN(C)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nc1 ZINC000587195648 EH Annotated Bother CN(C)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)nc1 ZINC000587195680 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587195747 EH Annotated Bother C[C@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587195748 EH Annotated Bother Cc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br ZINC000587195854 EH Annotated Anodyne CN(C)c1ncccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587195902 EH Annotated Bother Oc1nccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587195978 EH Annotated Anodyne CN(C)c1ncccc1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587196185 EH Annotated Anodyne CN(C)c1ncccc1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587196193 EH Annotated Anodyne N=c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c[nH]1 ZINC000587196387 EH Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cnncc3[nH]2)c1 ZINC000587196444 EH Annotated Anodyne CN(C)c1ncccc1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 ZINC000587196510 EH Annotated Mild Cc1c(Br)ccc2[nH]c(-c3cccnc3N(C)C)nc12 ZINC000587196535 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587196553 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587196554 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587196570 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587196573 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587196687 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587196689 EH Annotated Anodyne Cc1cccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587196732 EH Annotated Anodyne Cc1cccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587196735 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587196749 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587196752 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587196857 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587196858 EH Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587196860 EH Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587196861 EH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(F)c2[nH]1)C[C@H]1CCCO1 ZINC000587197039 EH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(F)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197040 EH Annotated Anodyne CN(C)C(=O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587197141 EH Annotated Reactive COc1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587197177 EH Annotated Anodyne CC(C)[C@H](c1nc2c(Cl)ncnc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197204 EH Annotated Anodyne CC(C)[C@H](c1nc2ccc(CO)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197219 EH Annotated Anodyne CC(C)[C@H](c1nc2nc(Cl)c[nH]c-2n1)N(C)C(=O)OC(C)(C)C ZINC000587197273 EH Annotated Anodyne CC(C)[C@H](c1nc2ccc(C(=O)O)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197280 EH Annotated Anodyne CC(C)[C@H](c1nc2ccc(C#N)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197589 EH Annotated Mild CC(C)[C@H](c1nc2cccc(C(=O)O)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197599 EH Annotated Anodyne CC(C)[C@H](c1nc2cc3c(cc2[nH]1)OCO3)N(C)C(=O)OC(C)(C)C ZINC000587197605 EH Annotated Anodyne CC(C)[C@H](c1nc2cccc(C#N)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197725 EH Annotated Mild COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587197766 EH Annotated Anodyne CC(C)[C@H](c1nc2ccc(CCO)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197959 EH Annotated Anodyne COc1cncc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587198130 EH Annotated Anodyne CC(C)[C@@H](c1nc2cnccc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198190 EH Annotated Anodyne CC(C)[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)N(C)C ZINC000587198195 EH Annotated Anodyne CC(C)[C@H](c1nc2cnc(Cl)[nH]c-2n1)N(C)C(=O)OC(C)(C)C ZINC000587198246 EH Annotated Anodyne COc1nccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587198354 EH Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cncnc3[nH]2)c1 ZINC000587198836 EH Annotated Anodyne CC(C)[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)N(C)C ZINC000587198965 EH Annotated Anodyne CC(C)[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)N(C)C ZINC000587198997 EH Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000587199047 EH Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)N(C)C ZINC000587199127 EH Annotated Anodyne CC(C)[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C ZINC000587199151 EH Annotated Clean CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(CO)cc2[nH]1 ZINC000587200865 EH Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(O)cc2[nH]1 ZINC000587200867 EH Annotated Anodyne Cc1nccc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc12 ZINC000587200960 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587200993 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000587201127 EH Annotated Mild Cc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587201142 EH Annotated Anodyne Cc1cncc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587201160 EH Annotated Anodyne COc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587201168 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000587201175 EH Annotated Anodyne COc1cncc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587201182 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587201183 EH Annotated Bother COc1ccc(NC(C)(C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000587201203 EH Annotated Mild COc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587201327 EH Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)cnc2[nH]1 ZINC000587201357 EH Annotated Anodyne COC(=O)c1cccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c12 ZINC000587201417 EH Annotated Anodyne Cc1cnc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587201423 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000587201474 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587201487 EH Annotated Bother COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000587201503 EH Annotated Anodyne Cc1ccnc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc12 ZINC000587201509 EH Annotated Anodyne COc1nccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587201552 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000587201675 EH Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(O)c2[nH]1 ZINC000587201815 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000587201900 EH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000587201902 EH Annotated Anodyne COC(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 ZINC000587201934 EH Annotated Anodyne C=C(NC(C)=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587202170 EH Annotated Anodyne Cc1cnc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 ZINC000587204098 EH Annotated Anodyne Cc1cnc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 ZINC000587204099 EH Annotated Anodyne Cc1cncc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 ZINC000587204838 EH Annotated Anodyne Cc1cncc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 ZINC000587204839 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587205701 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587205703 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(C)cc1 ZINC000587205803 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(C)cc1 ZINC000587205811 EH Annotated Anodyne O=C(O)C[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587206369 EH Annotated Anodyne O=C(O)C[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587206373 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(C)cc1 ZINC000587206438 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(C)cc1 ZINC000587206440 EH Annotated Anodyne O=C(O)C[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587206486 EH Annotated Anodyne O=C(O)C[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587206490 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C(=O)O)CC3 ZINC000587206719 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(=O)O)CC3 ZINC000587206720 EH Annotated Anodyne C[C@@H]1Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O ZINC000587206935 EH Annotated Anodyne C[C@@H]1Cc2nc3cccc4c3c(c2C[C@H]1C(=O)O)-c1ccccc1C4=O ZINC000587206944 EH Annotated Anodyne C[C@H]1Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O ZINC000587206952 EH Annotated Anodyne C[C@H]1Cc2nc3cccc4c3c(c2C[C@H]1C(=O)O)-c1ccccc1C4=O ZINC000587206955 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C)cc(F)c2[nH]1)c1ccc(C)cc1 ZINC000587207001 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C)cc(F)c2[nH]1)c1ccc(C)cc1 ZINC000587207004 EH Annotated Anodyne Cc1nn(Cc2cc3c4c(cccc4n2)CC3)c(C)c1Br ZINC000587207225 EH Annotated Anodyne O=C(O)Cc1c(C2CC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207281 EH Annotated Anodyne CC1(C)Cc2nc3cccc4c3c(c2C[C@H]1O)-c1ccccc1C4=O ZINC000587207310 EH Annotated Anodyne CC1(C)Cc2nc3cccc4c3c(c2C[C@@H]1O)-c1ccccc1C4=O ZINC000587207311 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C)c(F)cc2[nH]1)c1ccc(C)cc1 ZINC000587207405 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C)c(F)cc2[nH]1)c1ccc(C)cc1 ZINC000587207406 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(F)c(C)c2[nH]1)c1ccc(C)cc1 ZINC000587207412 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(F)c(C)c2[nH]1)c1ccc(C)cc1 ZINC000587207413 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(C)cc1 ZINC000587207422 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(C)cc1 ZINC000587207423 EH Annotated Anodyne CCn1ncc(Br)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587207587 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](C(=O)O)C3 ZINC000587207650 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C(=O)O)C3 ZINC000587207651 EH Annotated Anodyne CC1(C)c2nc3cccc4c3c(c2[C@H]1C(=O)O)-c1ccccc1C4=O ZINC000587207715 EH Annotated Anodyne CC1(C)c2nc3cccc4c3c(c2[C@@H]1C(=O)O)-c1ccccc1C4=O ZINC000587207716 EH Annotated Anodyne O=C(O)C[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587207730 EH Annotated Anodyne O=C(O)C[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587207731 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(C)cnc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587207767 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(C)cnc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587207768 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H]3C(=O)O ZINC000587207989 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H]3C(=O)O ZINC000587207993 EH Annotated Anodyne O=C1c2ccccc2-c2cc(C3C(=O)CCCC3=O)nc3cccc1c23 ZINC000587208237 EH Annotated Anodyne CCn1cc(Br)c(-c2cc3c4c(cccc4n2)CC3)n1 ZINC000587208371 EH Annotated Anodyne CC(=O)[C@@H]1C(=O)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208395 EH Annotated Anodyne CC(=O)[C@H]1C(=O)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208396 EH Annotated Anodyne N=c1[nH]c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cs1 ZINC000587208476 EH Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)ccc2O)nc2cccc3c2c1CC3 ZINC000587208998 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC1(C3)OCCO1 ZINC000587209095 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC1(CC3)OCCO1 ZINC000587209168 EH Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)NCc1ccc(Cl)cc1 ZINC000587209260 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC1(COC1)C3 ZINC000587209416 EH Annotated Anodyne Oc1cnc(Br)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587209679 EH Annotated Anodyne O=C1c2ccccc2-c2c(CCC3OCCO3)cnc3cccc1c23 ZINC000587209749 EH Annotated Anodyne Clc1nccn2c([C@@H]3Cc4nc5cccc6c5c(c43)CC6)ncc12 ZINC000587209781 EH Annotated Anodyne Clc1nccn2c([C@H]3Cc4nc5cccc6c5c(c43)CC6)ncc12 ZINC000587209782 EH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1=C(C3)OCOC1 ZINC000587209852 EH Annotated Anodyne CC1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)COCOC1 ZINC000587209989 EH Annotated Anodyne OC(Cc1cc2c3c(cccc3n1)CC2)(C(F)(F)F)C(F)(F)F ZINC000587210058 EH Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCCc2nc3cccc4c3c(c21)CC4 ZINC000587210090 EH Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1CCCc2nc3cccc4c3c(c21)CC4 ZINC000587210091 EH Annotated Anodyne O=c1ccc(C(F)(F)F)cn1Cc1cc2c3c(cccc3n1)CC2 ZINC000587210160 EH Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1F ZINC000587210196 EH Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1 ZINC000587210241 EH Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1CCc2c(nc3cccc4c3c2CC4)C1 ZINC000587210242 EH Annotated Anodyne Fc1cccc(N2CCOCC2)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587210297 EH Annotated Anodyne Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1N1CCOCC1 ZINC000587210328 EH Annotated Anodyne Cn1c(-c2cc3c4c(cccc4n2)CC3)ccc1C(F)(F)C(=O)O ZINC000587210359 EH Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)OCc1ccc([N+](=O)[O-])cc1 ZINC000587210452 EH Annotated Bother O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc([N+](=O)[O-])cc2)C1)CC4 ZINC000587210455 EH Annotated Bother O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc([N+](=O)[O-])cc2)C1)CC4 ZINC000587210456 EH Annotated Bother Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1Cc1ccccc1 ZINC000587210502 EH Annotated Anodyne O=S(=O)(c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(F)F ZINC000587210672 EH Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)NC1C2CC3CC(C2)CC1C3 ZINC000587210780 EH Annotated Anodyne Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1N1CCNCC1 ZINC000587210923 EH Annotated Anodyne COc1ccc(Cn2cc(-c3cc4c5c(cccc5n3)CC4)nn2)cc1 ZINC000587210967 EH Annotated Anodyne CCOC(=O)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587211054 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3c(nc4cccc5c4c3CC5)C[C@H]21 ZINC000587211186 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3c(nc4cccc5c4c3CC5)C[C@@H]21 ZINC000587211187 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@@H]21 ZINC000587211189 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@H]21 ZINC000587211191 EH Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCc3c2nc2cccc4c2c3CC4)c1 ZINC000587211209 EH Annotated Anodyne COC(=O)c1ccnc([C@H]2CCCc3c2nc2cccc4c2c3CC4)c1 ZINC000587211210 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5 ZINC000587211253 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)CC5 ZINC000587211256 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5 ZINC000587211258 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@H]2C1 ZINC000587211261 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Cc3c2nc2cccc4c2c3CC4)C1 ZINC000587211280 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Cc3c2nc2cccc4c2c3CC4)C1 ZINC000587211283 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC2(Cc3nc4cccc5c4c(c3C2)CC5)C1 ZINC000587211330 EH Annotated Anodyne Nc1ccc(N2CCC(O)CC2)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587211372 EH Annotated Anodyne CCOC(=O)C[C@@H](C(=O)CC)c1nc2cccc3c2c(c1C)CC3 ZINC000587211442 EH Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)c1nc2cccc3c2c(c1C)CC3 ZINC000587211443 EH Annotated Anodyne CCc1c(-c2cc3c(cc2N)OCCO3)nc2cccc3c2c1CC3 ZINC000587211496 EH Annotated Anodyne Oc1cc(N2CCOCC2)ccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587211601 EH Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=O)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587211636 EH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CC=O)CC3 ZINC000587211637 EH Annotated Mild c1ccc(N=c2[nH][nH]c3c2-c2nc4cccc5c4c(c2CC3)CC5)cc1 ZINC000587211644 EH Annotated Anodyne CCN1C(=O)[C@@H](c2cc3c4c(cccc4n2)CC3)C(=O)c2ccccc21 ZINC000587211656 EH Annotated Anodyne CCN1C(=O)[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)c2ccccc21 ZINC000587211658 EH Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)-c1nc3cccc4c3c(c1CC2)CC4 ZINC000587211660 EH Annotated Anodyne COc1cc(-c2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])cc1OC ZINC000587211776 EH Annotated Bother O=C(N[C@@H]1Cc2c1nc1cccc3c1c2CC3)OCc1ccccc1 ZINC000587211847 EH Annotated Anodyne O=C(N[C@H]1Cc2c1nc1cccc3c1c2CC3)OCc1ccccc1 ZINC000587211850 EH Annotated Anodyne COc1ccc(NN=C(C(C)=O)c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587211874 EH Annotated Mild CC(=O)Nc1cc(O)c(-c2cc3c4c(cccc4n2)CC3)cc1[N+](=O)[O-] ZINC000587211875 EH Annotated Bother CCOC(=O)Cn1c(C)cc2c1CCc1c-2nc2cccc3c2c1CC3 ZINC000587211946 EH Annotated Anodyne COc1ccc(OC)c(NC(=O)Cc2cc3c4c(cccc4n2)CC3)c1 ZINC000587212031 EH Annotated Anodyne O=NN(CC(=O)O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587212094 EH Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(C=O)c2)nc2cccc3c2c1CC3 ZINC000587212179 EH Annotated Anodyne O=C1Nc2ccccc2[C@]12CCc1nc3cccc4c3c(c1C2)CC4 ZINC000587212280 EH Annotated Anodyne O=C1Nc2ccccc2[C@@]12CCc1nc3cccc4c3c(c1C2)CC4 ZINC000587212281 EH Annotated Anodyne O=C(c1ccccc1)N1CCc2nc3cccc4c3c(c2CC1)CC4 ZINC000587212340 EH Annotated Anodyne Cc1c2c(nc3ccc(N4CCC(O)CC4)cc13)-c1c(N)cccc1C2 ZINC000587212341 EH Annotated Anodyne Fc1ccc(Cn2cc(-c3cc4c5c(cccc5n3)CC4)nn2)cc1 ZINC000587212344 EH Annotated Anodyne O=C(Oc1ccccc1)N1CCc2nc3cccc4c3c(c2CC1)CC4 ZINC000587212365 EH Annotated Anodyne Cc1c(-c2ccccc2OCC(=O)N(C)C)nc2cccc3c2c1CC3 ZINC000587212427 EH Annotated Anodyne C#CCNC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587212444 EH Annotated Mild COc1ccc(OC)c(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c1 ZINC000587212553 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 ZINC000587212652 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 ZINC000587212663 EH Annotated Anodyne COc1ccccc1NC(=O)[C@@H](N=O)c1cc2c3c(cccc3n1)CC2 ZINC000587212671 EH Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)c1cc2c3c(cccc3n1)CC2 ZINC000587212677 EH Annotated Anodyne O=C(O)Cc1c(-c2cc(F)cc(F)c2)nc2cccc3c2c1CC3 ZINC000587212875 EH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)c1nc3cccc4c3c(c12)CC4 ZINC000587212929 EH Annotated Unstable CC(=O)Oc1cc(OC(C)=O)cc(-c2cc3c4c(cccc4n2)CC3)c1 ZINC000587213029 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]2C1 ZINC000587213059 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]2C1 ZINC000587213062 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@@H]2C1 ZINC000587213066 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3nc4cccc5c4c(c3C[C@H]2C1)CC5 ZINC000587213071 EH Annotated Anodyne OC1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)CC1 ZINC000587213202 EH Annotated Anodyne O=C(O)CCC(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587213225 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H](c3cc4c5c(cccc5n3)CC4)[C@@H]2C1 ZINC000587213316 EH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc2c3c(cccc3n1)CC2 ZINC000587213319 EH Annotated Anodyne COc1cc(OC)c(OC)cc1Cc1cc2c3c(cccc3n1)CC2 ZINC000587213419 EH Annotated Anodyne CCOC(=O)CCc1c(-c2ccccn2)nc2cccc3c2c1CC3 ZINC000587213522 EH Annotated Anodyne Cc1c2c(nc3ccc(N4CCOCC4)cc13)-c1c(N)cccc1C2 ZINC000587213544 EH Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCc1cc2c3c(cccc3n1)CC2 ZINC000587213572 EH Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c(C)c1 ZINC000587213606 EH Annotated Anodyne COc1cc(Cc2cc3c4c(cccc4n2)CC3)cc(OC)c1OC ZINC000587213667 EH Annotated Anodyne COc1cccc(OC(=O)Cc2nc3cccc4c3c(c2C)CC4)c1 ZINC000587213725 EH Annotated Anodyne Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCOCC1 ZINC000587213732 EH Annotated Clean CN(C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1 ZINC000587214077 EH Annotated Anodyne COc1cccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)c1 ZINC000587214516 EH Annotated Anodyne COc1cccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)c1 ZINC000587214517 EH Annotated Anodyne COC(=O)[C@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587214599 EH Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587214600 EH Annotated Anodyne COc1ccc(C)cc1-c1nc2cccc3c2c(c1CC(=O)O)CC3 ZINC000587214889 EH Annotated Anodyne O=C(O)CCc1nc2cccc3c2c(c1CC(=O)c1ccccc1)CC3 ZINC000587214984 EH Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4 ZINC000587215029 EH Annotated Anodyne COc1ccccc1[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4 ZINC000587215030 EH Annotated Anodyne c1cc2c3c(cc(CCc4ccc(OC[C@H]5CO5)cc4)nc3c1)CC2 ZINC000587215085 EH Annotated Anodyne c1cc2c3c(cc(CCc4ccc(OC[C@@H]5CO5)cc4)nc3c1)CC2 ZINC000587215086 EH Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc3c(c2)OCO3)C1)CC4 ZINC000587215110 EH Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc3c(c2)OCO3)C1)CC4 ZINC000587215111 EH Annotated Anodyne CC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)c1ccccc1C(=O)O ZINC000587215260 EH Annotated Anodyne CC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)c1ccccc1C(=O)O ZINC000587215261 EH Annotated Anodyne O=C(O)[C@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587215357 EH Annotated Anodyne O=C(O)[C@@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587215358 EH Annotated Anodyne O=C(O)Cc1c(CCC(=O)c2ccccc2)nc2cccc3c2c1CC3 ZINC000587215419 EH Annotated Anodyne O=C(O)CCC(=O)Cc1c(-c2ccccc2)nc2cccc3c2c1CC3 ZINC000587215718 EH Annotated Anodyne Cc1ccc(C(=O)Cc2nc3cccc4c3c(c2CCO)CC4)cc1 ZINC000587215843 EH Annotated Anodyne CCc1ccc(O)c(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c1 ZINC000587215848 EH Annotated Anodyne Cc1cc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc(C)c1O ZINC000587216176 EH Annotated Anodyne Cc1cc(C)c(O)c(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c1 ZINC000587216187 EH Annotated Anodyne O=S(=O)(Cc1cc2c3c(cccc3n1)CC2)c1ccc(Cl)cc1 ZINC000587216456 EH Annotated Anodyne CCS(=O)(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587216515 EH Annotated Anodyne O=S(=O)(Cl)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587216529 EH Annotated Unstable CC(=O)N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(C)cc1 ZINC000587216594 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(C)cc1 ZINC000587216595 EH Annotated Anodyne Cc1ccc2c(c1)-c1nc3cccc4c3c(c1CCS2(=O)=O)CC4 ZINC000587216685 EH Annotated Anodyne O=S(=O)(Cl)c1ccc2c(c1)-c1nc3cccc4c3c(c1C2)CC4 ZINC000587216686 EH Annotated Unstable c1ccc(-n2nnnc2SCc2cc3c4c(cccc4n2)CC3)cc1 ZINC000587216699 EH Annotated Anodyne COc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1C ZINC000587216750 EH Annotated Anodyne COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1C ZINC000587216751 EH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(C)cc1 ZINC000587216819 EH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(C)cc1 ZINC000587216820 EH Annotated Anodyne O=S(=O)(Cl)c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 ZINC000587216853 EH Annotated Unstable O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1)c1ccccc1 ZINC000587217763 EH Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1)c1ccccc1 ZINC000587217765 EH Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1)c1ccccc1 ZINC000587218290 EH Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1)c1ccccc1 ZINC000587218291 EH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587220997 EH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587220999 EH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587222980 EH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587222981 EH Annotated Anodyne Cc1c(Cl)ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 ZINC000587223198 EH Annotated Anodyne Cc1c(Cl)ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 ZINC000587223201 EH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587223419 EH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587223420 EH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587223551 EH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587223553 EH Annotated Anodyne Cc1nccc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 ZINC000587223648 EH Annotated Anodyne Cc1nccc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12 ZINC000587223650 EH Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587223708 EH Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587223710 EH Annotated Anodyne Cc1cc(Cl)cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 ZINC000587223772 EH Annotated Anodyne Cc1cc(Cl)cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 ZINC000587223774 EH Annotated Anodyne COc1cncc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587224128 EH Annotated Anodyne COc1cncc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587224129 EH Annotated Anodyne Cc1cncc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587224312 EH Annotated Anodyne Cc1cncc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587224314 EH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587224345 EH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587224354 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(F)cnc2[nH]1)C1CCCC1 ZINC000587224983 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)cnc2[nH]1)C1CCCC1 ZINC000587224984 EH Annotated Anodyne Cc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587225547 EH Annotated Anodyne Cc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587225548 EH Annotated Anodyne COc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cn1 ZINC000587225999 EH Annotated Anodyne COc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cn1 ZINC000587226002 EH Annotated Anodyne COc1nccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587226473 EH Annotated Anodyne COc1nccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587226474 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(CO)cc2[nH]1)C1CCCC1 ZINC000587226839 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(CO)cc2[nH]1)C1CCCC1 ZINC000587226840 EH Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 ZINC000587227066 EH Annotated Anodyne COc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 ZINC000587227168 EH Annotated Anodyne COc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 ZINC000587227169 EH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587227541 EH Annotated Clean CN[C@H](c1cccnc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587227542 EH Annotated Clean COc1ccc(C)cc1NCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587228360 EH Annotated Mild COc1ccc(C)cc1NCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587228368 EH Annotated Bother COc1ccc(C)cc1NCCCc1nc2cncc(Cl)c2[nH]1 ZINC000587228412 EH Annotated Anodyne O=C(NCCc1nc2ccc3c(c2[nH]1)CCCC3)OCc1ccccc1 ZINC000587228552 EH Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587228727 EH Annotated Bother COc1ccc(C)cc1NCCCc1nc2cccc(OC)c2[nH]1 ZINC000587229037 EH Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587229086 EH Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587229095 EH Annotated Anodyne OCCc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 ZINC000587229253 EH Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587229295 EH Annotated Anodyne Cc1cnc2[nH]c(-c3cccc(CNc4ncccc4C#N)c3)nc2c1 ZINC000587229309 EH Annotated Mild COc1ccc(C)cc1NCCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587229371 EH Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587229394 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3cccc(CNc4ncccc4C#N)c3)nc12 ZINC000587229407 EH Annotated Mild COc1ccc(C)cc1NCCCc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587229570 EH Annotated Anodyne COc1nccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587229579 EH Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587229590 EH Annotated Anodyne Clc1ncnc2[nH]c(-c3cccnc3NCc3ccccc3)nc12 ZINC000587229868 EH Annotated Anodyne COc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cn1 ZINC000587229887 EH Annotated Anodyne Clc1c[nH]c2nc(-c3cccnc3NCc3ccccc3)nc-2n1 ZINC000587229944 EH Annotated Anodyne Cc1ccc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2n1 ZINC000587229992 EH Annotated Mild O=[N+]([O-])c1cnc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 ZINC000587229999 EH Annotated Bother N#Cc1cccnc1NCc1cccc(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000587230070 EH Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3ccc(O)cc3[nH]2)c1 ZINC000587230076 EH Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cccnc3[nH]2)c1 ZINC000587230286 EH Annotated Mild O=[N+]([O-])c1cncc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587230339 EH Annotated Bother Cc1nccc2[nH]c(-c3cccc(CNc4ncccc4C#N)c3)nc12 ZINC000587230420 EH Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cnccc3[nH]2)c1 ZINC000587230439 EH Annotated Mild Cc1cncc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c12 ZINC000587230459 EH Annotated Mild COc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 ZINC000587230780 EH Annotated Anodyne Clc1ncc2nc(-c3cccnc3NCc3ccccc3)nc-2[nH]1 ZINC000587230787 EH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587230914 EH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587230916 EH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587230917 EH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587230918 EH Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cccc(O)c3[nH]2)c1 ZINC000587231333 EH Annotated Mild Clc1ncnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 ZINC000587231416 EH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587231478 EH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587231481 EH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587231483 EH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587231485 EH Annotated Anodyne Clc1c[nH]c2nc(-c3ccc(CNCc4ccco4)cc3)nc-2n1 ZINC000587231823 EH Annotated Anodyne COc1nccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587231891 EH Annotated Anodyne Clc1ncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 ZINC000587231934 EH Annotated Anodyne COc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 ZINC000587232184 EH Annotated Anodyne c1coc(CNCc2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)c1 ZINC000587232201 EH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587232593 EH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587232594 EH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587232595 EH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587232596 EH Annotated Anodyne COc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cn1 ZINC000587232619 EH Annotated Anodyne COc1cncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587232679 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000587232711 EH Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000587232757 EH Annotated Mild CNc1cccc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)c1 ZINC000587232849 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587232923 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587232953 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587232995 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587232998 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587233047 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587233082 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587233172 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587233183 EH Annotated Anodyne CC(=O)c1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587233195 EH Annotated Anodyne CC(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587233207 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587233292 EH Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587233322 EH Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587233371 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000587233381 EH Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587233387 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000587233400 EH Annotated Mild Cc1cc2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587233430 EH Annotated Anodyne Cc1cc2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587233439 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587233492 EH Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587233542 EH Annotated Bother COc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587233548 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000587233638 EH Annotated Anodyne COc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587233649 EH Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 ZINC000587233724 EH Annotated Anodyne CC(=O)NC1(c2nc3ccc4nc(C)ccc4c3[nH]2)CCC(C)CC1 ZINC000587233731 EH Annotated Anodyne CC(=O)NC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCC(C)CC1 ZINC000587233790 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587233889 EH Annotated Anodyne CC(=O)NC1(c2nc3ccc4c(c3[nH]2)CCCC4)CCC(C)CC1 ZINC000587233893 EH Annotated Anodyne COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587233904 EH Annotated Anodyne COc1cccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233931 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000587233993 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587234078 EH Annotated Anodyne COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587234081 EH Annotated Anodyne COc1cccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587234097 EH Annotated Anodyne CC(=O)NC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCC(C)CC1 ZINC000587234135 EH Annotated Anodyne CC(=O)NC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCC(C)CC1 ZINC000587234166 EH Annotated Anodyne CC(=O)NC1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCC(C)CC1 ZINC000587234374 EH Annotated Anodyne CC(=O)NC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCC(C)CC1 ZINC000587234389 EH Annotated Anodyne Cc1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 ZINC000587234504 EH Annotated Anodyne CC(=O)NC1(c2nc3ccc(C(C)(C)C)nc3[nH]2)CCC(C)CC1 ZINC000587234588 EH Annotated Anodyne CC(=O)NC1(c2nc3cc(C#N)cc(Cl)c3[nH]2)CCC(C)CC1 ZINC000587234618 EH Annotated Mild CC(=O)NC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCC(C)CC1 ZINC000587234625 EH Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587234635 EH Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587234637 EH Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587234638 EH Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587234640 EH Annotated Anodyne COc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1Cl ZINC000587234652 EH Annotated Anodyne CC(=O)NC1(c2nc3ccc(OC(C)C)cc3[nH]2)CCC(C)CC1 ZINC000587234745 EH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(F)cc3[nH]2)CCC(=O)CC1 ZINC000587234753 EH Annotated Anodyne CC(=O)NC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCC(C)CC1 ZINC000587234804 EH Annotated Anodyne CC(=O)NC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCC(C)CC1 ZINC000587234924 EH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(F)c3[nH]2)CCC(=O)CC1 ZINC000587234933 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(O)cc2[nH]1 ZINC000587234958 EH Annotated Anodyne COc1nccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587235053 EH Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587235054 EH Annotated Anodyne Cc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587235071 EH Annotated Anodyne COc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587235227 EH Annotated Anodyne Cc1nccc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587235229 EH Annotated Anodyne Cc1cncc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587235377 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000587235431 EH Annotated Mild Cc1cnc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 ZINC000587235463 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(O)c2[nH]1 ZINC000587235746 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000587235764 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)cnc2[nH]1 ZINC000587236042 EH Annotated Anodyne COc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587236057 EH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000587236067 EH Annotated Mild COc1cncc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587236085 EH Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 ZINC000587236507 EH Annotated Anodyne Cc1ccc(NC2(c3nc4c(O)nc(S)nc4[nH]3)CCCC2)cc1 ZINC000587236624 EH Annotated Anodyne Cc1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 ZINC000587237044 EH Annotated Anodyne Cc1ccc(NC2(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CCCC2)cc1 ZINC000587237808 EH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587238046 EH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cnc4ccccc4c3[nH]2)c1C ZINC000587238576 EH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc4ncccc4c3[nH]2)c1C ZINC000587238604 EH Annotated Anodyne Cc1cc2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2cc1[N+](=O)[O-] ZINC000587238830 EH Annotated Bother Cc1cccc(NC(=O)Cc2nc3cc(C#N)cc(Cl)c3[nH]2)c1C ZINC000587238951 EH Annotated Mild Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1C ZINC000587239184 EH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(F)c(F)c(F)c3[nH]2)c1C ZINC000587239244 EH Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cccc(NC(N)=O)c4C)[nH]c32)n1 ZINC000587239248 EH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587239304 EH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3c(F)cnc(Cl)c3[nH]2)c1C ZINC000587239503 EH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1C ZINC000587239573 EH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587239662 EH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587239674 EH Annotated Anodyne COc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1F ZINC000587239749 EH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3c(C)cnc(Cl)c3[nH]2)c1C ZINC000587239882 EH Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(N)ccnc2[nH]1 ZINC000587240039 EH Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587240165 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000587240171 EH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cccc(Br)c2[nH]1 ZINC000587240213 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2ncc(Br)cc2[nH]1 ZINC000587240324 EH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(=N)[nH]cc3[nH]2)c1 ZINC000587240326 EH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc[nH]c(=N)c3[nH]2)c1 ZINC000587240418 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Br)nccc2[nH]1 ZINC000587240421 EH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(O)ncnc3[nH]2)c1 ZINC000587240438 EH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587240492 EH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ncc[nH]c-3n2)c1 ZINC000587240695 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587240732 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cnc(Br)cc2[nH]1 ZINC000587240736 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587240742 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2ncc(C(F)(F)F)cc2[nH]1 ZINC000587240960 EH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(N)ncnc3[nH]2)c1 ZINC000587241045 EH Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587241115 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2nccc(Br)c2[nH]1 ZINC000587241288 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cnc(C(F)(F)F)cc2[nH]1 ZINC000587241321 EH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cnncc3[nH]2)c1 ZINC000587241553 EH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cncnc3[nH]2)c1 ZINC000587241561 EH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Br)cncc2[nH]1 ZINC000587241606 EH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cnnc(O)c3[nH]2)c1 ZINC000587241622 EH Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587241684 EH Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc12 ZINC000587241696 EH Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587241936 EH Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587241941 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000587241947 EH Annotated Anodyne Cc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2n1 ZINC000587241986 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3)nc2c1 ZINC000587242012 EH Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587242015 EH Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587242057 EH Annotated Anodyne Cc1cnc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1 ZINC000587242086 EH Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587242149 EH Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587242307 EH Annotated Bother CC(C)(C)CC(=O)Nc1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587242329 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(O)c3[nH]2)c1 ZINC000587242350 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccnc3[nH]2)c1 ZINC000587242356 EH Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587242458 EH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 ZINC000587242500 EH Annotated Bother Cc1cncc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 ZINC000587242548 EH Annotated Anodyne Cc1nccc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc12 ZINC000587242553 EH Annotated Anodyne Cc1c(Br)ccc2nc(-c3cccc(NC(N)=O)c3)[nH]c12 ZINC000587242749 EH Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587242831 EH Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000587242862 EH Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587242883 EH Annotated Anodyne COC(=O)Nc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cn1 ZINC000587244354 EH Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cn1 ZINC000587244470 EH Annotated Bother COC(=O)Nc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cn1 ZINC000587244855 EH Annotated Anodyne O=C(/C=C/c1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1ccccc1 ZINC000587245412 EH Annotated Anodyne O=C(/C=C\c1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1ccccc1 ZINC000587245413 EH Annotated Anodyne NCc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587245961 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Cl)cc3[nH]1)C2 ZINC000587245983 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Cl)cc3[nH]1)C2 ZINC000587245988 EH Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587246018 EH Annotated Anodyne CC(C)COc1cc2nc([C@H]3CC[C@@H]3N)[nH]c2cc1Br ZINC000587246111 EH Annotated Anodyne N[C@@H]1CC[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C1 ZINC000587246127 EH Annotated Anodyne N[C@@H]1CC[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C1 ZINC000587246168 EH Annotated Anodyne NCc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587246244 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Cl)c(C)c3[nH]1)C2 ZINC000587246253 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Cl)c(C)c3[nH]1)C2 ZINC000587246254 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc4c(c3[nH]1)CCCC4)C2 ZINC000587246278 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc4c(c3[nH]1)CCCC4)C2 ZINC000587246281 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)cc(C)c3[nH]1)C2 ZINC000587246299 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)cc(C)c3[nH]1)C2 ZINC000587246301 EH Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587246310 EH Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cn1 ZINC000587246531 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(SC)cc3[nH]1)C2 ZINC000587246706 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(SC)cc3[nH]1)C2 ZINC000587246709 EH Annotated Anodyne N[C@@H]1CC[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C1 ZINC000587246812 EH Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587246824 EH Annotated Anodyne CCCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br ZINC000587246836 EH Annotated Anodyne NCc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587247129 EH Annotated Bother CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(N)ccnc2[nH]1 ZINC000587247172 EH Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Cl)ccnc3[nH]2)cn1 ZINC000587247178 EH Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3ccnc(Cl)c3[nH]2)cn1 ZINC000587247189 EH Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br ZINC000587247249 EH Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587247281 EH Annotated Anodyne N[C@@H]1CC[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C1 ZINC000587247287 EH Annotated Anodyne C=CCc1cccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c12 ZINC000587247301 EH Annotated Mild C=CCc1cccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c12 ZINC000587247302 EH Annotated Mild CCCCOc1cc2nc([C@H]3CC[C@@H]3N)[nH]c2cc1Br ZINC000587247318 EH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc12 ZINC000587247397 EH Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cn1 ZINC000587247430 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)c(F)cc3[nH]1)C2 ZINC000587247497 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)c(F)cc3[nH]1)C2 ZINC000587247498 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(Cl)c3[nH]1)C2 ZINC000587247499 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(Cl)c3[nH]1)C2 ZINC000587247500 EH Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ncc[nH]c-2n1 ZINC000587247510 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)cc(F)c3[nH]1)C2 ZINC000587247534 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)cc(F)c3[nH]1)C2 ZINC000587247536 EH Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587247540 EH Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cn1 ZINC000587247556 EH Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cncnc2[nH]1 ZINC000587247754 EH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C)c(Cl)cc3[nH]1)C2 ZINC000587247839 EH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C)c(Cl)cc3[nH]1)C2 ZINC000587247841 EH Annotated Anodyne Nc1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1C(=O)O ZINC000587248027 EH Annotated Anodyne Nc1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1C(=O)O ZINC000587248112 EH Annotated Anodyne Cc1c(Br)ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c12 ZINC000587248153 EH Annotated Anodyne Cc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br ZINC000587248280 EH Annotated Anodyne Cc1cc(Br)cc2nc(-c3c(N)cccc3C(=O)O)[nH]c12 ZINC000587248282 EH Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587248424 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cccc(N)c3C(=O)O)nc2c1 ZINC000587248479 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(N)c(C#N)c3)nc2c1 ZINC000587248595 EH Annotated Mild N#Cc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1N ZINC000587248618 EH Annotated Mild Nc1cccc(C(=O)O)c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587248763 EH Annotated Anodyne N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCOC1 ZINC000587248779 EH Annotated Reactive N[C@@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCOC1 ZINC000587248781 EH Annotated Reactive Cc1c(Br)ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c12 ZINC000587248843 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3c(N)cccc3C(=O)O)nc2c1 ZINC000587248873 EH Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(N)c(C#N)c3)[nH]c12 ZINC000587249071 EH Annotated Mild Cc1cc2nc(-c3ccc(N)c(C#N)c3)[nH]c2cc1Br ZINC000587249097 EH Annotated Mild Nc1cccc(O)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587249224 EH Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c12 ZINC000587249225 EH Annotated Anodyne N=c1cc[nH]cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587249281 EH Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587249355 EH Annotated Anodyne Nc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1CC(=O)O ZINC000587249370 EH Annotated Anodyne COc1cc(C)c(N)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587249433 EH Annotated Anodyne Cc1ccc(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1N ZINC000587249451 EH Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587249509 EH Annotated Bother Cc1c(Br)ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c12 ZINC000587249530 EH Annotated Anodyne N#Cc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1N ZINC000587249539 EH Annotated Mild N#Cc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1N ZINC000587249584 EH Annotated Mild Nc1cc(C(=O)O)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587249619 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OC)cc(C)c3N)nc2c1 ZINC000587249626 EH Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587249833 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2c1 ZINC000587249897 EH Annotated Anodyne N#Cc1cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)ccc1N ZINC000587249951 EH Annotated Mild CC(C)Oc1cc2nc(-c3c[nH]ccc3=N)[nH]c2cc1Br ZINC000587250004 EH Annotated Anodyne N#Cc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1N ZINC000587250060 EH Annotated Mild Cc1ccc(CCc2nc3ccc(Br)c(O)c3[nH]2)cc1N ZINC000587250092 EH Annotated Anodyne Cc1ccc(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1N ZINC000587250109 EH Annotated Anodyne COc1cc(C)c(N)c(-c2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587250112 EH Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(N)c(C#N)c3)[nH]c12 ZINC000587250145 EH Annotated Mild CCCOc1cc2nc(-c3c[nH]ccc3=N)[nH]c2cc1Br ZINC000587250279 EH Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000587250292 EH Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587250304 EH Annotated Anodyne Cc1c(Br)cc2nc(-c3c(N)cccc3O)[nH]c2c1C ZINC000587250407 EH Annotated Anodyne COc1cc(C)c(N)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587250447 EH Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587250471 EH Annotated Anodyne N#Cc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)ccc1N ZINC000587250500 EH Annotated Mild N#Cc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1N ZINC000587250583 EH Annotated Mild Cc1ccc(CCc2nc3c(C)c(Br)cnc3[nH]2)cc1N ZINC000587250609 EH Annotated Anodyne Cc1ccc(CCc2nc3cc(Br)c(C)nc3[nH]2)cc1N ZINC000587250623 EH Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587250871 EH Annotated Anodyne Cc1ccc(CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1N ZINC000587250958 EH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(CCc3ccc(C)c(N)c3)nc2c1 ZINC000587250959 EH Annotated Anodyne Nc1cccc(O)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587250979 EH Annotated Bother Nc1cccc(O)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587251021 EH Annotated Anodyne Cc1ccc(CCc2nc3c(F)cnc(Br)c3[nH]2)cc1N ZINC000587251158 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000587251188 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587251214 EH Annotated Bother Cc1ccc2c(ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c32)n1 ZINC000587251222 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587251223 EH Annotated Anodyne Nc1ccc2oc(-c3nc4c(Br)ccnc4[nH]3)cc2c1 ZINC000587251275 EH Annotated Anodyne Nc1ccc2oc(-c3nc4cc(Br)cnc4[nH]3)cc2c1 ZINC000587251290 EH Annotated Anodyne Cc1nc2[nH]c(/C=C\c3ccc(N)cc3)nc2cc1Br ZINC000587251397 EH Annotated Anodyne Cc1nc2[nH]c(/C=C/c3ccc(N)cc3)nc2cc1Br ZINC000587251398 EH Annotated Anodyne Nc1ccc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587251407 EH Annotated Anodyne Nc1ccc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587251408 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587251439 EH Annotated Anodyne Nc1ccc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587251448 EH Annotated Anodyne Nc1ccc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587251449 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587251450 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(N)cc3)nc2c1 ZINC000587251557 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(N)cc3)nc2c1 ZINC000587251558 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587251569 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587251658 EH Annotated Anodyne Nc1ccc2oc(-c3nc4ccnc(Br)c4[nH]3)cc2c1 ZINC000587251726 EH Annotated Anodyne COc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Cl ZINC000587251798 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587251863 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587251881 EH Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587251916 EH Annotated Anodyne Nc1ccc(/C=C/c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587251919 EH Annotated Anodyne Nc1ccc2oc(-c3nc4cc(Br)ncc4[nH]3)cc2c1 ZINC000587251990 EH Annotated Anodyne Nc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c2ccccc2c1 ZINC000587252014 EH Annotated Anodyne Nc1ccc2oc(-c3nc4c(F)cnc(Br)c4[nH]3)cc2c1 ZINC000587252025 EH Annotated Anodyne Nc1ccc2oc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2c1 ZINC000587252036 EH Annotated Anodyne Nc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2ccccc2c1 ZINC000587252037 EH Annotated Bother Nc1ccc2oc(-c3nc4cncc(Br)c4[nH]3)cc2c1 ZINC000587252040 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587252074 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587252098 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587252099 EH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587252103 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1OC ZINC000587252143 EH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(/C=C\c3ccc(N)cc3)nc2c1 ZINC000587252157 EH Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C/c3ccc(N)cc3)nc2c1 ZINC000587252160 EH Annotated Mild CN(C)CCOc1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 ZINC000587252189 EH Annotated Anodyne COc1cncc(N)c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 ZINC000587252203 EH Annotated Anodyne COc1cncc(N)c1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000587252214 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc4cc(N)ccc4o3)nc2c1 ZINC000587252230 EH Annotated Anodyne Nc1ccc2oc(-c3nc4ccc(Br)nc4[nH]3)cc2c1 ZINC000587252236 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1 ZINC000587252256 EH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(N)cc4ccccc34)nc2cc1OC ZINC000587252275 EH Annotated Anodyne COc1cncc(N)c1-c1nc2c(C)c(C)c(Br)cc2[nH]1 ZINC000587252309 EH Annotated Anodyne Nc1cnc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)nc1 ZINC000587252813 EH Annotated Anodyne COc1cncc(N)c1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 ZINC000587252832 EH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc4ccccc4c3N)nc2cc1OC ZINC000587253100 EH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1OC ZINC000587253178 EH Annotated Anodyne N=c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc2[nH]1 ZINC000587253268 EH Annotated Anodyne N=c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc2[nH]1 ZINC000587253274 EH Annotated Anodyne Nc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc2ccccc12 ZINC000587253330 EH Annotated Anodyne N=c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c2ccccc2[nH]1 ZINC000587253409 EH Annotated Anodyne N=c1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c[nH]1 ZINC000587253521 EH Annotated Anodyne Nc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc2ccccc12 ZINC000587253555 EH Annotated Bother N=c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c2ccccc2[nH]1 ZINC000587253642 EH Annotated Anodyne Nc1ncccc1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587253861 EH Annotated Anodyne Nc1ncccc1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587253930 EH Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cc4cccnc4N)[nH]c3c2)cc1 ZINC000587254053 EH Annotated Clean CC(C)Oc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br ZINC000587254078 EH Annotated Anodyne N=c1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c[nH]1 ZINC000587254104 EH Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)c[nH]1 ZINC000587254145 EH Annotated Anodyne C=CCc1cccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 ZINC000587254146 EH Annotated Mild N=c1ccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c[nH]1 ZINC000587254210 EH Annotated Anodyne Nc1ncccc1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587254356 EH Annotated Anodyne CCCOc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br ZINC000587254368 EH Annotated Anodyne N=c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c2ccccc2[nH]1 ZINC000587254391 EH Annotated Anodyne N=c1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2ccccc2[nH]1 ZINC000587254394 EH Annotated Bother Nc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc2ccccc12 ZINC000587254449 EH Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)c[nH]1 ZINC000587254541 EH Annotated Anodyne Nc1ncccc1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587254561 EH Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2n1 ZINC000587254588 EH Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)c[nH]1 ZINC000587254592 EH Annotated Anodyne CC(C)Oc1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 ZINC000587254594 EH Annotated Anodyne Nc1ncccc1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587254645 EH Annotated Anodyne COc1cncc(N)c1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000587254655 EH Annotated Anodyne N=c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c2ccccc2[nH]1 ZINC000587254726 EH Annotated Anodyne N=c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c2ccccc2[nH]1 ZINC000587254778 EH Annotated Anodyne N=c1cc(-c2nc3ccc(Br)cc3[nH]2)c2ccccc2[nH]1 ZINC000587254793 EH Annotated Anodyne N=c1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c[nH]1 ZINC000587254815 EH Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)c[nH]1 ZINC000587254819 EH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc2c1 ZINC000587254863 EH Annotated Mild Nc1cncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587254905 EH Annotated Anodyne Nc1ncccc1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587254930 EH Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c[nH]1 ZINC000587255023 EH Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)c[nH]1 ZINC000587255040 EH Annotated Anodyne Cc1c(Br)cc2nc(Cc3cccnc3N)[nH]c2c1C ZINC000587255080 EH Annotated Anodyne NC1CC(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C1 ZINC000587255101 EH Annotated Anodyne NC1CC(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C1 ZINC000587255344 EH Annotated Anodyne NC1CC(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C1 ZINC000587255444 EH Annotated Anodyne N[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C1CC1 ZINC000587255458 EH Annotated Anodyne N[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C1CC1 ZINC000587255533 EH Annotated Anodyne CC(C)COc1cc2nc([C@H](N)C3CC3)[nH]c2cc1Br ZINC000587255538 EH Annotated Anodyne NC1CC(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C1 ZINC000587255607 EH Annotated Anodyne NC1CC(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C1 ZINC000587255619 EH Annotated Anodyne N[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C1CC1 ZINC000587255660 EH Annotated Anodyne N[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1COC1 ZINC000587255758 EH Annotated Reactive N[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C1CC1 ZINC000587255956 EH Annotated Anodyne CCCCOc1cc2nc([C@H](N)C3CC3)[nH]c2cc1Br ZINC000587256098 EH Annotated Anodyne NC1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000587256463 EH Annotated Anodyne NC1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000587256876 EH Annotated Anodyne NC1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000587256922 EH Annotated Anodyne C=CC[C@@](C)(N)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587257622 EH Annotated Mild C=CC[C@@](C)(N)c1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587257718 EH Annotated Mild N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc2ccccc12 ZINC000587258205 EH Annotated Bother COC(=O)c1cccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c12 ZINC000587258240 EH Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1cccc2ccccc12 ZINC000587258321 EH Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2c1 ZINC000587258339 EH Annotated Anodyne N[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1cccc2ccccc12 ZINC000587258459 EH Annotated Anodyne N[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1cccc2ccccc12 ZINC000587258461 EH Annotated Anodyne N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1cccc2ccccc12 ZINC000587258482 EH Annotated Anodyne CCCOc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br ZINC000587258496 EH Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1cccc2ccccc12 ZINC000587258547 EH Annotated Anodyne N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12 ZINC000587258551 EH Annotated Bother N#Cc1nc(Cl)cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c12 ZINC000587258751 EH Annotated Mild N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1cccc2ccccc12 ZINC000587258805 EH Annotated Anodyne CC(C)[C@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587258816 EH Annotated Anodyne N#Cc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1C#N ZINC000587258850 EH Annotated Mild CC(C)[C@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587258971 EH Annotated Anodyne N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1cccc2ccccc12 ZINC000587259055 EH Annotated Anodyne N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1cccc2ccccc12 ZINC000587259237 EH Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br ZINC000587259683 EH Annotated Anodyne COC(=O)CC[C@H](N)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587259805 EH Annotated Bother [N-]=[N+]=NCCCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587259826 EH Annotated Clean COC(=O)CC[C@H](N)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587259850 EH Annotated Anodyne COC(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1OC ZINC000587259960 EH Annotated Clean CN(C)CCOc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 ZINC000587259999 EH Annotated Clean CN1CCN(c2ccc3nc(CCCCCCN=[N+]=[N-])[nH]c3c2)CC1 ZINC000587260304 EH Annotated Clean [N-]=[N+]=NCCCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587260596 EH Annotated Clean COC(=O)c1cc2[nH]c(CCCCCCN=[N+]=[N-])nc2cc1OC ZINC000587260729 EH Annotated Clean Cc1c(-c2nc3cc(Br)cnc3[nH]2)cccc1[N+](=O)[O-] ZINC000587260773 EH Annotated Bother CCOC(=O)Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587260864 EH Annotated Bother Cc1c(-c2nc3ccnc(Br)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587260866 EH Annotated Bother Cc1c(-c2nc3c(Br)ccnc3[nH]2)cccc1[N+](=O)[O-] ZINC000587260867 EH Annotated Bother COc1cc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260878 EH Annotated Bother COc1cc(-c2nc3ccc(SC)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260897 EH Annotated Bother COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260950 EH Annotated Bother Cc1c(-c2nc3cc(Br)ncc3[nH]2)cccc1[N+](=O)[O-] ZINC000587260961 EH Annotated Bother Cc1nc2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2cc1Br ZINC000587260981 EH Annotated Bother Cc1c(-c2nc3cncc(Br)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587260992 EH Annotated Bother COc1cc(-c2nc3cc(C)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260994 EH Annotated Bother C=CCc1cccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c12 ZINC000587260998 EH Annotated Mild COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261002 EH Annotated Bother Cc1c(-c2nc3ccc(Br)nc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261050 EH Annotated Bother Cc1c(-c2nc3ccc(Br)c(O)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587261086 EH Annotated Bother COc1cc(-c2nc3ccc(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261091 EH Annotated Bother COc1cc(-c2nc3c(C)ccc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261106 EH Annotated Bother COc1cc(-c2nc3cc(C)cc(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261116 EH Annotated Bother CCc1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c1 ZINC000587261145 EH Annotated Bother COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261220 EH Annotated Bother Cc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cccc1[N+](=O)[O-] ZINC000587261223 EH Annotated Bother Cc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261228 EH Annotated Bother COc1cc(-c2nc3cccc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261233 EH Annotated Bother Cc1cc(C#Cc2nc3cnc4ccccc4c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261376 EH Annotated Mild Cc1cc(C#Cc2nc3ccc(C(C)(C)C)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261409 EH Annotated Mild Cc1cc(C#Cc2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261484 EH Annotated Mild COCCNc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261518 EH Annotated Bother Cc1cc(C#Cc2nc3cc(F)c(F)c(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261590 EH Annotated Mild COCCNc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261701 EH Annotated Bother COCCNc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261705 EH Annotated Bother Cc1cc(C#Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261749 EH Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc4ncccc4c3[nH]2)c1 ZINC000587261754 EH Annotated Bother COCCNc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261777 EH Annotated Bother COCCNc1ccc(-c2nc3cc(C)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261974 EH Annotated Bother COCCNc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261998 EH Annotated Bother CCc1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587262028 EH Annotated Bother Cc1cc(C#Cc2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262033 EH Annotated Mild Cc1cc(C#Cc2nc3cc(C#N)cc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262054 EH Annotated Mild COCCNc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262095 EH Annotated Bother Cc1cc(C#Cc2nc3ccc4ncccc4c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262149 EH Annotated Mild Cc1cc(C#Cc2nc3cc(Cl)cc(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262153 EH Annotated Mild COc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1Cl ZINC000587262162 EH Annotated Mild CCc1ccc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587262258 EH Annotated Bother Cc1cc(C#Cc2nc3c(C)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262348 EH Annotated Mild Cc1cc(C#Cc2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262434 EH Annotated Mild CCc1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 ZINC000587262476 EH Annotated Bother COc1cc(OCc2nc3cc(C)c(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262558 EH Annotated Bother COc1cc(OCc2nc3ccc(F)c(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262594 EH Annotated Bother Cc1cc(C#Cc2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262643 EH Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3cnc4ccccc4c3[nH]2)c1 ZINC000587262662 EH Annotated Bother Cc1cc(C#Cc2nc3ccc(OC(C)C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262679 EH Annotated Mild COc1cc(OCc2nc3ccc(SC)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262703 EH Annotated Bother Cc1cc(C#Cc2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262711 EH Annotated Mild CC(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587262728 EH Annotated Bother Cc1cc(C#Cc2nc3cc(Cl)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262754 EH Annotated Mild Cc1cc(C#Cc2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262757 EH Annotated Mild COc1cc(OCc2nc3c(C)ccc(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262878 EH Annotated Bother COc1cc(OCc2nc3cccc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262972 EH Annotated Bother C=CCc1cccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c12 ZINC000587263076 EH Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263262 EH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263263 EH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263264 EH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263265 EH Annotated Bother COc1cc(OCc2nc3cc(C)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263576 EH Annotated Bother COc1cc(OCc2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263614 EH Annotated Bother COc1cc(OCc2nc3cc(C)cc(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263615 EH Annotated Bother COc1cc(OCc2nc3ccc(C)c(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263708 EH Annotated Bother COc1cc(OCc2nc3cc(C)cc(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263723 EH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc4ncccc4c3[nH]2)c([N+](=O)[O-])c1 ZINC000587263774 EH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cnc4ccccc4c3[nH]2)c([N+](=O)[O-])c1 ZINC000587263776 EH Annotated Bother Cc1ccc(C)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 ZINC000587263828 EH Annotated Bother CSc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587263849 EH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cccc(Cl)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587263858 EH Annotated Bother C=CCc1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263869 EH Annotated Mild Cc1cc(C)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000587263901 EH Annotated Bother Cc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C ZINC000587264281 EH Annotated Bother Cc1c(Cl)ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587264341 EH Annotated Bother CCc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264366 EH Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncnc(Cl)c3[nH]2)o1 ZINC000587264502 EH Annotated Bother Cc1cc(Cl)cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587264525 EH Annotated Bother COCCOc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264720 EH Annotated Bother COCCNc1ccc(-c2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264814 EH Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(CO)ccc3[nH]2)o1 ZINC000587265025 EH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(F)c2[nH]1 ZINC000587265121 EH Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Cl)ncc3[nH]2)o1 ZINC000587265122 EH Annotated Bother COc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cn1 ZINC000587265147 EH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265314 EH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265315 EH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265316 EH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265317 EH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587265512 EH Annotated Bother Cc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Cl ZINC000587265545 EH Annotated Bother Cc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587265588 EH Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)o1 ZINC000587265663 EH Annotated Bother Cc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C ZINC000587265675 EH Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(CCO)ccc3[nH]2)o1 ZINC000587265756 EH Annotated Bother COc1cncc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 ZINC000587265780 EH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(F)cc2[nH]1 ZINC000587266240 EH Annotated Bother COc1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2n1 ZINC000587266308 EH Annotated Bother Nc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1N ZINC000587266335 EH Annotated Bother COc1nccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 ZINC000587266358 EH Annotated Bother Cc1cccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587266383 EH Annotated Bother CCc1ccc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587266455 EH Annotated Bother COCCOc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266508 EH Annotated Bother Cc1c(Cl)ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 ZINC000587267200 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587267305 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587267307 EH Annotated Bother Cc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Cl ZINC000587267592 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587267648 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587267649 EH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267688 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587267711 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587267712 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587267797 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587267798 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587267815 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587267816 EH Annotated Bother CSc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 ZINC000587267918 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587267927 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587267928 EH Annotated Bother COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Cl ZINC000587267930 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587268003 EH Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587268004 EH Annotated Bother C=CCc1cccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 ZINC000587268084 EH Annotated Mild CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587268112 EH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587268185 EH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587268345 EH Annotated Bother CC(C)Oc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 ZINC000587268376 EH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3ccccc3cc2[nH]1 ZINC000587268445 EH Annotated Bother Cc1cc(Cl)cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 ZINC000587268446 EH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587268466 EH Annotated Bother Cc1oc(-c2nc3c(Br)cc(C#N)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268605 EH Annotated Mild CC(C)(C)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 ZINC000587268609 EH Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587268669 EH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000587268744 EH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000587268763 EH Annotated Bother COc1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 ZINC000587268766 EH Annotated Bother Cc1c(Cl)ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 ZINC000587268773 EH Annotated Bother Cc1nc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2cc1Br ZINC000587268795 EH Annotated Bother COc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2n1 ZINC000587268806 EH Annotated Bother Cc1oc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268867 EH Annotated Mild Cc1oc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000587268879 EH Annotated Bother CC(C)(C)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587268890 EH Annotated Bother Cc1oc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268936 EH Annotated Bother Cc1oc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1[N+](=O)[O-] ZINC000587268997 EH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000587269015 EH Annotated Bother Cc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Cl ZINC000587269025 EH Annotated Bother Cc1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c(C)n1 ZINC000587269062 EH Annotated Bother Cc1oc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587269122 EH Annotated Bother Cc1oc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587269125 EH Annotated Bother Cc1oc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000587269189 EH Annotated Bother Cc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2n1 ZINC000587269227 EH Annotated Bother Cc1oc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587269263 EH Annotated Bother Cc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Cl ZINC000587269282 EH Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587269303 EH Annotated Bother CC(C)Oc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587269330 EH Annotated Bother COc1nccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 ZINC000587269339 EH Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587269411 EH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000587269467 EH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000587269507 EH Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587269510 EH Annotated Bother C=CCc1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 ZINC000587269550 EH Annotated Mild Cc1ccc2c(ccc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c32)n1 ZINC000587269556 EH Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587269606 EH Annotated Bother Cc1oc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587269615 EH Annotated Bother Cc1oc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000587269708 EH Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000587269756 EH Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(F)cnc4[nH]3)c2)c1 ZINC000587269783 EH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(Cl)c2[nH]1 ZINC000587269839 EH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587269909 EH Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587269952 EH Annotated Bother Cc1cc(Cl)cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587269957 EH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000587269962 EH Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587270053 EH Annotated Bother Cc1cnc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000587270261 EH Annotated Bother COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cn1 ZINC000587270321 EH Annotated Bother N#Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 ZINC000587270335 EH Annotated Mild O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587270354 EH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000587270384 EH Annotated Bother Cc1cncc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 ZINC000587270388 EH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000587270405 EH Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(O)c4[nH]3)c2)c1 ZINC000587270410 EH Annotated Bother N#Cc1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 ZINC000587270429 EH Annotated Mild O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(F)c3[nH]2)c1 ZINC000587270483 EH Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587270573 EH Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587270575 EH Annotated Bother N#Cc1cc(Cl)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000587270665 EH Annotated Mild COc1cncc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 ZINC000587270725 EH Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587270919 EH Annotated Bother Cc1c(Cl)ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271063 EH Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ncc[nH]c-4n3)c2)cc1 ZINC000587271733 EH Annotated Bother O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc[nH]c-4n3)cc2)cc1 ZINC000587271871 EH Annotated Bother Nc1ccnc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc12 ZINC000587271880 EH Annotated Bother CCC(CC)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272808 EH Annotated Anodyne O=C(CC1CCCC1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273060 EH Annotated Anodyne CCC(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273074 EH Annotated Anodyne CCC[C@@H](C)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273089 EH Annotated Anodyne CCC[C@H](C)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273091 EH Annotated Anodyne CCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273208 EH Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587273619 EH Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587273621 EH Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587273666 EH Annotated Bother CC[C@@H](C)CC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273722 EH Annotated Anodyne CC[C@H](C)CC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273723 EH Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1 ZINC000587273739 EH Annotated Bother CC(C)(C)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 ZINC000587273867 EH Annotated Bother CC(C)(C)CC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273970 EH Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587274059 EH Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587274061 EH Annotated Bother O=C(Cc1ccccc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587274100 EH Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000587274107 EH Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587274208 EH Annotated Bother CC(C)CCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274412 EH Annotated Anodyne CC(C)(C)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587274713 EH Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587274722 EH Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587275181 EH Annotated Bother O=C(CCCCCl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275422 EH Annotated Reactive O=C(c1c(CO)oc2cc(Br)cnc12)C1CCCCC1 ZINC000587275509 EH Annotated Anodyne Cc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587275625 EH Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587275702 EH Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587275704 EH Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587275828 EH Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587275830 EH Annotated Bother Cc1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275854 EH Annotated Anodyne Cn1cc(Br)c(C(=O)c2coc3ccc(Cl)cc23)n1 ZINC000587275894 EH Annotated Anodyne C[C@@H](Cl)CCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276004 EH Annotated Reactive C[C@H](Cl)CCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276005 EH Annotated Reactive Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276012 EH Annotated Anodyne O=C(c1n[nH]cc1Br)c1coc2ccc(Cl)cc12 ZINC000587276160 EH Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)c1coc2ccc(Cl)cc12 ZINC000587276766 EH Annotated Anodyne CC(C)(CCl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587277087 EH Annotated Reactive C[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277260 EH Annotated Bother C[C@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277261 EH Annotated Bother C[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277320 EH Annotated Bother C[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277321 EH Annotated Bother N#Cc1ccc2c(C(=O)c3cc(F)c(F)c(F)c3[N+](=O)[O-])coc2c1 ZINC000587277608 EH Annotated Mild N#Cc1ccc2c(C(=O)c3c(F)ccc([N+](=O)[O-])c3F)coc2c1 ZINC000587277747 EH Annotated Mild Cc1cc(C(F)(F)F)nn1CC(=O)c1coc2cc(C#N)ccc12 ZINC000587277899 EH Annotated Mild COc1cc(C(=O)c2coc3cc(C#N)ccc23)cc(OC)c1OC ZINC000587278060 EH Annotated Mild N#Cc1ccc2c(C(=O)c3cccc4c3OC(F)(F)O4)coc2c1 ZINC000587278250 EH Annotated Mild CS(=O)(=O)c1cccc(C(=O)c2coc3ccc(Cl)cc23)c1 ZINC000587278377 EH Annotated Anodyne N#Cc1ccc2c(C(=O)c3cncc(Br)c3)coc2c1 ZINC000587278509 EH Annotated Mild N#Cc1ccc2c(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)coc2c1 ZINC000587278530 EH Annotated Mild N#Cc1ccc2c(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)coc2c1 ZINC000587278531 EH Annotated Mild N#Cc1ccc2c(C(=O)c3cc([N+](=O)[O-])c(F)c(F)c3F)coc2c1 ZINC000587278538 EH Annotated Mild N#Cc1ccc2c(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)coc2c1 ZINC000587278561 EH Annotated Mild N#Cc1ccc2c(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)coc2c1 ZINC000587278562 EH Annotated Mild COc1c(F)c(F)cc(C(=O)c2coc3cc(C#N)ccc23)c1F ZINC000587278585 EH Annotated Mild N#Cc1ccc2c(C(=O)c3ccc4c(c3)OC(F)(F)O4)coc2c1 ZINC000587278606 EH Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(Br)cn3)coc2c1 ZINC000587278679 EH Annotated Mild Cc1nc(-c2ccc(C(=O)c3coc4cc(C#N)ccc34)cc2)no1 ZINC000587278701 EH Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(-c4ncccn4)cc3)coc2c1 ZINC000587278744 EH Annotated Mild C[C@H](C(=O)c1coc2cc(C#N)ccc12)n1ccc(C(F)(F)F)n1 ZINC000587278829 EH Annotated Mild C[C@@H](C(=O)c1coc2cc(C#N)ccc12)n1ccc(C(F)(F)F)n1 ZINC000587278830 EH Annotated Mild Cc1ccc(N2C[C@@H](C(=O)c3coc4cc(C#N)ccc34)CC2=O)cc1 ZINC000587278846 EH Annotated Mild Cc1ccc(N2C[C@H](C(=O)c3coc4cc(C#N)ccc34)CC2=O)cc1 ZINC000587278847 EH Annotated Mild O=C(c1cnn(Cc2ccccc2)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587278958 EH Annotated Bother Cc1cccc([N+](=O)[O-])c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279010 EH Annotated Bother N#Cc1ccc2c(C(=O)c3cnc(-c4ccccc4)nc3)coc2c1 ZINC000587279097 EH Annotated Mild O=C(c1coc2ccc(Cl)cc12)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000587279115 EH Annotated Anodyne O=C1OC(=O)c2cc(C(=O)c3coc4ccc(Cl)cc34)ccc21 ZINC000587279122 EH Annotated Reactive O=C(c1ccc(S(=O)(=O)F)cc1)c1coc2ccc(Cl)cc12 ZINC000587279148 EH Annotated Unstable N#Cc1ccc2c(C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@H]3C(=O)Cl)coc2c1 ZINC000587279266 EH Annotated Reactive Cc1cc(OCC(=O)c2coc3cc(C#N)ccc23)ccc1[N+](=O)[O-] ZINC000587279281 EH Annotated Mild CCn1ncc(Br)c1C(=O)c1coc2cc(C#N)ccc12 ZINC000587279319 EH Annotated Mild O=C(Cl)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279320 EH Annotated Reactive Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cccc1[N+](=O)[O-] ZINC000587279369 EH Annotated Bother O=C(Cc1ccc2c(c1)OCCO2)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279483 EH Annotated Bother CCOc1c(OC)cccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279534 EH Annotated Bother Cc1nn(C)c(C)c1/C=C\C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279548 EH Annotated Mild Cc1nn(C)c(C)c1/C=C/C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279549 EH Annotated Mild O=C(c1cncc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279578 EH Annotated Bother COc1ccc(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1OC ZINC000587279596 EH Annotated Bother Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n(C(C)(C)C)n1 ZINC000587279606 EH Annotated Bother O=C(c1ccc(Br)o1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279695 EH Annotated Bother O=C(Cl)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 ZINC000587279700 EH Annotated Reactive CCn1ncc(/C=C\C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1C ZINC000587279704 EH Annotated Mild CCn1ncc(/C=C/C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1C ZINC000587279705 EH Annotated Mild O=C(Cl)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 ZINC000587279709 EH Annotated Reactive O=C(Cl)c1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279729 EH Annotated Reactive CCn1cc(/C=C\C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)n1 ZINC000587279746 EH Annotated Mild CCn1cc(/C=C/C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)n1 ZINC000587279747 EH Annotated Mild O=C(/C=C\c1ccc2c(c1)OCO2)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279754 EH Annotated Mild O=C(/C=C/c1ccc2c(c1)OCO2)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279755 EH Annotated Mild CC1(C)[C@]2(C)CC[C@@]1(C(=O)c1coc3cc([N+](=O)[O-])ccc13)OC2=O ZINC000587279766 EH Annotated Bother CC1(C)[C@]2(C(=O)c3coc4cc([N+](=O)[O-])ccc34)CC[C@@]1(C)C(=O)O2 ZINC000587279767 EH Annotated Bother COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(OC)c1C ZINC000587279769 EH Annotated Bother O=C(c1cc([N+](=O)[O-])ccc1F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279828 EH Annotated Bother O=C(c1cc2ccccc2oc1=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279844 EH Annotated Bother CC(=O)Oc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1C ZINC000587279883 EH Annotated Bother Cc1nc(-c2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)no1 ZINC000587279910 EH Annotated Bother Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1[N+](=O)[O-] ZINC000587279956 EH Annotated Bother O=C(Cc1ccc([N+](=O)[O-])cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279972 EH Annotated Bother COc1cc(F)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(F)c1 ZINC000587279982 EH Annotated Bother COc1c(F)cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1F ZINC000587279985 EH Annotated Bother O=C(c1cc(Cl)nc(Cl)n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279993 EH Annotated Bother O=C(COc1ccccc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279994 EH Annotated Bother O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279998 EH Annotated Bother O=C(c1cnn(-c2ccccc2)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280005 EH Annotated Bother O=C(c1ccc(Br)cn1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280059 EH Annotated Bother O=C(c1ccc(C(F)(F)F)cn1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280066 EH Annotated Bother Cn1nc(C(C)(C)C)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280077 EH Annotated Bother O=C(c1nnc(-c2ccccc2)o1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280105 EH Annotated Bother COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(Cl)n1 ZINC000587280124 EH Annotated Bother O=C(c1ccc([N+](=O)[O-])c(F)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280137 EH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280141 EH Annotated Bother O=C(c1ccc(C(F)(F)F)nc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280195 EH Annotated Bother O=C(c1cc(Cl)nnc1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280215 EH Annotated Bother O=C(c1c(F)cccc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280253 EH Annotated Bother O=C(c1ccc(F)cc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280261 EH Annotated Bother O=C(c1ccc(CN2CCCC2)o1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280295 EH Annotated Bother O=C(c1cnc(Cl)nc1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280329 EH Annotated Bother O=C(c1cccc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280364 EH Annotated Bother O=C(c1ccc2snnc2c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280367 EH Annotated Bother O=C(c1ccc(F)c([N+](=O)[O-])c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280400 EH Annotated Bother O=C(c1coc2ccccc12)[C@H](Br)CBr ZINC000587280447 EH Annotated Reactive O=C(c1coc2ccccc12)[C@@H](Br)CBr ZINC000587280449 EH Annotated Reactive O=C(c1ccc2c(c1)OC(F)(F)O2)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280477 EH Annotated Bother O=C(c1cccc2c1OC(F)(F)O2)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280543 EH Annotated Bother COc1ccc(Cl)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 ZINC000587280552 EH Annotated Bother CC[C@@H](C(=O)c1coc2ccccc12)N1C(=O)c2ccccc2C1=O ZINC000587280636 EH Annotated Anodyne CC[C@H](C(=O)c1coc2ccccc12)N1C(=O)c2ccccc2C1=O ZINC000587280637 EH Annotated Anodyne O=C(CCCN1C(=O)c2ccccc2C1=O)c1coc2ccccc12 ZINC000587280664 EH Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1C(=O)c1coc2ccccc12 ZINC000587280766 EH Annotated Unstable O=C(CCS(=O)(=O)c1ccc(F)cc1)c1coc2ccccc12 ZINC000587280776 EH Annotated Anodyne COc1ccc(N2C[C@H](C(=O)c3coc4ccccc34)CC2=O)cc1 ZINC000587281115 EH Annotated Anodyne COc1ccc(N2C[C@@H](C(=O)c3coc4ccccc34)CC2=O)cc1 ZINC000587281116 EH Annotated Anodyne N#CC[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326225 EH Annotated Mild N#CC[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326228 EH Annotated Mild N#CC[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326230 EH Annotated Mild N#CC[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326231 EH Annotated Mild C[C@@]1(CCC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331281 EH Annotated Mild C[C@]1(CCC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331292 EH Annotated Mild C[C@@]1(CCC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331295 EH Annotated Mild C[C@]1(CCC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331296 EH Annotated Mild CN(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332209 EH Annotated Anodyne CN(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332210 EH Annotated Anodyne CN(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332211 EH Annotated Anodyne CN(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332212 EH Annotated Anodyne C[C@H](N=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332249 EH Annotated Anodyne C[C@H](N=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332252 EH Annotated Anodyne C[C@H](N=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332254 EH Annotated Anodyne C[C@H](N=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332255 EH Annotated Anodyne N#CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333416 EH Annotated Mild N#CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333419 EH Annotated Mild N#CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333422 EH Annotated Mild N#CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333425 EH Annotated Mild CC[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333514 EH Annotated Mild CC[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333517 EH Annotated Mild CC[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333521 EH Annotated Mild CC[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333523 EH Annotated Mild CC(C)(C)[C@]1(CN)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333684 EH Annotated Anodyne CC(C)(C)[C@@]1(CN)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333690 EH Annotated Anodyne CC(C)(C)[C@@]1(CN)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333692 EH Annotated Anodyne CC(C)(C)[C@]1(CN)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333696 EH Annotated Anodyne N[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334431 EH Annotated Anodyne N[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334444 EH Annotated Anodyne N[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334446 EH Annotated Anodyne N[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334447 EH Annotated Anodyne N#C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335616 EH Annotated Mild N#C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335618 EH Annotated Mild N#C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335623 EH Annotated Mild N#C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335624 EH Annotated Mild CN(C)/C=C/[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337669 EH Annotated Anodyne CN(C)/C=C/[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337670 EH Annotated Anodyne CN(C)/C=C/[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337671 EH Annotated Anodyne CN(C)/C=C/[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337672 EH Annotated Anodyne CC(C)[C@H](N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339751 EH Annotated Anodyne CC(C)[C@H](N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339755 EH Annotated Anodyne CC(C)[C@H](N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339758 EH Annotated Anodyne CC(C)[C@H](N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339760 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCn3cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587339959 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCn3cccc32)[C@H]1c1ccc(F)cc1 ZINC000587339960 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCn3cccc32)[C@H]1c1ccc(F)cc1 ZINC000587339961 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCn3cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587339962 EH Annotated Anodyne N#C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340035 EH Annotated Mild N#C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340036 EH Annotated Mild N#C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340040 EH Annotated Mild N#C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340043 EH Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCO[C@@H](F)C2)[C@H]1c1ccc(F)cc1 ZINC000587340734 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCO[C@@H](F)C2)[C@@H]1c1ccc(F)cc1 ZINC000587340737 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCO[C@H](F)C2)[C@H]1c1ccc(F)cc1 ZINC000587340739 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCO[C@H](F)C2)[C@@H]1c1ccc(F)cc1 ZINC000587340742 EH Annotated Anodyne C[C@H](C#N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341951 EH Annotated Mild C[C@H](C#N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341953 EH Annotated Mild C[C@H](C#N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341954 EH Annotated Mild C[C@H](C#N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341955 EH Annotated Mild COC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344950 EH Annotated Anodyne COC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344957 EH Annotated Anodyne COC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344959 EH Annotated Anodyne COC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344962 EH Annotated Anodyne COCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345780 EH Annotated Anodyne COCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345782 EH Annotated Anodyne COCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345784 EH Annotated Anodyne COCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345785 EH Annotated Anodyne CO/C=C/[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346013 EH Annotated Anodyne CO/C=C/[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346016 EH Annotated Anodyne CO/C=C/[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346017 EH Annotated Anodyne CO/C=C/[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346019 EH Annotated Anodyne CO[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346179 EH Annotated Anodyne CO[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346181 EH Annotated Anodyne CO[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346183 EH Annotated Anodyne CO[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346184 EH Annotated Anodyne COC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346221 EH Annotated Anodyne COC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346222 EH Annotated Anodyne COC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346223 EH Annotated Anodyne COC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346224 EH Annotated Anodyne C[C@@]1(c2cnc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346391 EH Annotated Anodyne C[C@]1(c2cnc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346393 EH Annotated Anodyne C[C@@]1(c2cnc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346395 EH Annotated Anodyne C[C@]1(c2cnc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346397 EH Annotated Anodyne O=C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347923 EH Annotated Anodyne O=C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347927 EH Annotated Anodyne C[C@]1(c2ncc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348388 EH Annotated Anodyne C[C@]1(c2ncc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348390 EH Annotated Anodyne C[C@@]1(c2ncc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348392 EH Annotated Anodyne C[C@@]1(c2ncc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348395 EH Annotated Anodyne C[C@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348574 EH Annotated Anodyne C[C@@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348578 EH Annotated Anodyne C[C@@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348582 EH Annotated Anodyne C[C@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348589 EH Annotated Anodyne CC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348607 EH Annotated Anodyne CC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348609 EH Annotated Anodyne CC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348611 EH Annotated Anodyne CC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348612 EH Annotated Anodyne C[C@@]1(c2cc[nH]n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348724 EH Annotated Anodyne C[C@]1(c2cc[nH]n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348726 EH Annotated Anodyne C[C@@]1(c2cc[nH]n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348730 EH Annotated Anodyne C[C@]1(c2cc[nH]n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348733 EH Annotated Anodyne C[C@@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349278 EH Annotated Anodyne C[C@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349282 EH Annotated Anodyne C[C@@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349285 EH Annotated Anodyne C[C@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349288 EH Annotated Anodyne C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587351138 EH Annotated Anodyne C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587351140 EH Annotated Anodyne C[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587351142 EH Annotated Anodyne C[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587351143 EH Annotated Anodyne COC1=C[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351425 EH Annotated Anodyne COC1=C[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351427 EH Annotated Anodyne COC1=C[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351432 EH Annotated Anodyne COC1=C[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351437 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587351538 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587351547 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587351551 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587351553 EH Annotated Anodyne CCO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351680 EH Annotated Anodyne CCO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351687 EH Annotated Anodyne CCO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351689 EH Annotated Anodyne CCO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351691 EH Annotated Anodyne CC1(C)O[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351738 EH Annotated Anodyne CC1(C)O[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351739 EH Annotated Anodyne CC1(C)O[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351740 EH Annotated Anodyne CC1(C)O[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351741 EH Annotated Anodyne COC[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352312 EH Annotated Anodyne COC[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352313 EH Annotated Anodyne COC[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352314 EH Annotated Anodyne COC[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352315 EH Annotated Anodyne CCOC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352359 EH Annotated Anodyne CCOC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352361 EH Annotated Anodyne CCOC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352363 EH Annotated Anodyne CCOC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352364 EH Annotated Anodyne CC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352784 EH Annotated Anodyne CC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352785 EH Annotated Anodyne CC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352786 EH Annotated Anodyne CC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352787 EH Annotated Anodyne CC[C@@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354238 EH Annotated Anodyne CC[C@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354240 EH Annotated Anodyne CC[C@@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354241 EH Annotated Anodyne CC[C@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354242 EH Annotated Anodyne CCC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354429 EH Annotated Anodyne CCC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354434 EH Annotated Anodyne CCC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354436 EH Annotated Anodyne CCC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354439 EH Annotated Anodyne C[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354819 EH Annotated Anodyne C[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354822 EH Annotated Anodyne C[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354825 EH Annotated Anodyne C[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354829 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587355151 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587355157 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587355160 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587355163 EH Annotated Anodyne CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1 ZINC000587355238 EH Annotated Anodyne CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1 ZINC000587355240 EH Annotated Anodyne CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1 ZINC000587355243 EH Annotated Anodyne CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1 ZINC000587355247 EH Annotated Anodyne C[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355250 EH Annotated Anodyne C[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355253 EH Annotated Anodyne C[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355256 EH Annotated Anodyne C[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355258 EH Annotated Anodyne C[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355708 EH Annotated Anodyne C[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355709 EH Annotated Anodyne C[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355710 EH Annotated Anodyne C[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355711 EH Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(O)CC2)[C@H]1c1ccc(F)cc1 ZINC000587356689 EH Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587356690 EH Annotated Anodyne CCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356792 EH Annotated Anodyne CCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356793 EH Annotated Anodyne CCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356795 EH Annotated Anodyne CCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356796 EH Annotated Anodyne C[C@@H]1CCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356826 EH Annotated Anodyne C[C@@H]1CCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356828 EH Annotated Anodyne C[C@@H]1CCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356829 EH Annotated Anodyne C[C@@H]1CCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356831 EH Annotated Anodyne C[C@]1(CC2COC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356989 EH Annotated Anodyne C[C@@]1(CC2COC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356991 EH Annotated Anodyne C[C@@]1(CC2COC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356992 EH Annotated Anodyne C[C@]1(CC2COC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356993 EH Annotated Anodyne C[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357387 EH Annotated Anodyne C[C@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357388 EH Annotated Anodyne C[C@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357389 EH Annotated Anodyne C[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357391 EH Annotated Anodyne C[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357392 EH Annotated Anodyne C[C@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357394 EH Annotated Anodyne C[C@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357395 EH Annotated Anodyne C[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357397 EH Annotated Anodyne CCOC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357497 EH Annotated Anodyne CCOC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357498 EH Annotated Anodyne COCCCN=c1[nH]c(C)c(-c2cc3c4c(cccc4n2)CC3)s1 ZINC000587358197 EH Annotated Anodyne CC1(C)OC=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359487 EH Annotated Anodyne CC1(C)OC=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359493 EH Annotated Anodyne CC1(C)OC=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359499 EH Annotated Anodyne CC1(C)OC=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359504 EH Annotated Anodyne c1cc2c3c(cc(-c4cc(CN5CCOCC5)cs4)nc3c1)CC2 ZINC000587359961 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3O[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587360344 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3O[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587360345 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3O[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587360346 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3O[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587360349 EH Annotated Anodyne C[C@@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360475 EH Annotated Anodyne C[C@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360476 EH Annotated Anodyne C[C@@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360478 EH Annotated Anodyne C[C@@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360480 EH Annotated Anodyne C[C@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360482 EH Annotated Anodyne C[C@@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360484 EH Annotated Anodyne C[C@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360485 EH Annotated Anodyne C[C@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360487 EH Annotated Anodyne COc1cccc(-c2cc(CC(N)=O)nc3c2oc2ccccc23)c1 ZINC000587362358 EH Annotated Anodyne COc1cccc(-c2cc([C@@H](N)NO)nc3c2oc2ccccc23)c1 ZINC000587363125 EH Annotated Anodyne COc1cccc(-c2cc([C@H](N)NO)nc3c2oc2ccccc23)c1 ZINC000587363126 EH Annotated Anodyne COc1cccc(-c2cc([C@@H](O)CO)nc3c2oc2ccccc23)c1 ZINC000587365730 EH Annotated Anodyne CCc1cc2c(O)nc(O)nc2nc1-c1cccc(C(F)(F)F)c1 ZINC000587367918 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1ccc(C(F)(F)F)cc1)CC3 ZINC000587367922 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccc(C(F)(F)F)cc1)CC3 ZINC000587367923 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(SC(F)(F)F)c3)nc2n1 ZINC000587367925 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)nc2n1 ZINC000587367940 EH Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1cc(C(F)(F)F)ccc1F ZINC000587367967 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(F)c(Cl)cc3Cl)nc2n1 ZINC000587368021 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(CCCCF)c3F)nc2n1 ZINC000587368055 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Cl)c4ccccc4c3O)nc2n1 ZINC000587368098 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1ccc(Cl)cc1)CCCC3 ZINC000587368170 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccc(Cl)cc1)CCCC3 ZINC000587368171 EH Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1Cc1ccc(Cl)cc1Cl ZINC000587368180 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Cl)c(Cl)cc3F)nc2n1 ZINC000587368221 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(C(F)(F)F)cc3Cl)nc2n1 ZINC000587368235 EH Annotated Anodyne C[C@@H](c1ccc2c(O)nc(O)nc2n1)c1ccccc1C(F)(F)F ZINC000587368236 EH Annotated Anodyne C[C@H](c1ccc2c(O)nc(O)nc2n1)c1ccccc1C(F)(F)F ZINC000587368237 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4F)s3)nc2n1 ZINC000587368243 EH Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1C(F)(F)F ZINC000587368247 EH Annotated Anodyne Oc1nc(O)c2ccc(/C=C\c3ccc(C(F)(F)F)cc3)nc2n1 ZINC000587368313 EH Annotated Anodyne Oc1nc(O)c2ccc(/C=C/c3ccc(C(F)(F)F)cc3)nc2n1 ZINC000587368315 EH Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(C(F)(F)F)cc1F ZINC000587368480 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(SC(F)(F)F)cc3)nc2n1 ZINC000587368533 EH Annotated Anodyne C=CCc1cc2c(O)nc(O)nc2nc1-c1cccc(C(F)(F)F)c1 ZINC000587368544 EH Annotated Mild CC(C)Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1Cl ZINC000587368560 EH Annotated Anodyne Oc1nc(O)c2ccc(/C=C/c3ccc(Cl)c(Cl)c3)nc2n1 ZINC000587368568 EH Annotated Anodyne Cc1cc(C)c(-c2ccc3c(O)nc(O)nc3n2)c(C)c1CCl ZINC000587368589 EH Annotated Reactive Cc1cc2c(O)nc(O)nc2nc1-c1ccc(C(F)(F)F)c(F)c1 ZINC000587368591 EH Annotated Anodyne CC(C)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 ZINC000587368595 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1ccc(Cl)c(Cl)c1)CC3 ZINC000587368605 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccc(Cl)c(Cl)c1)CC3 ZINC000587368606 EH Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1cc(F)cc(C(F)(F)F)c1 ZINC000587368622 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1ccc(SC(F)F)cc1CC3 ZINC000587368693 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4)c(F)c3)nc2n1 ZINC000587368730 EH Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(Cl)c(Cl)c1 ZINC000587368891 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3c(Cl)ccc(F)c3Cl)nc2n1 ZINC000587368980 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1cccc(C(F)(F)F)c1)CC3 ZINC000587368995 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H](c1cccc(C(F)(F)F)c1)CC3 ZINC000587368996 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@H]3c1ccc(C(F)(F)F)cc1 ZINC000587369018 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@@H]3c1ccc(C(F)(F)F)cc1 ZINC000587369019 EH Annotated Anodyne CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Cl)c1 ZINC000587369033 EH Annotated Anodyne COc1ccc(Cl)cc1-c1nc2nc(O)nc(O)c2cc1C(C)C ZINC000587369037 EH Annotated Anodyne Oc1nc(O)c2cc(CCc3ccc(Cl)c(Cl)c3)cnc2n1 ZINC000587369058 EH Annotated Anodyne Oc1nc(O)c2ccc(CCc3ccc(Cl)c(Cl)c3)nc2n1 ZINC000587369080 EH Annotated Anodyne CC(C)c1nc2nc(O)nc(O)c2cc1Cc1ccc(Cl)cc1 ZINC000587369117 EH Annotated Anodyne CC(C)c1cc2c(O)nc(O)nc2nc1Cc1cccc(Cl)c1 ZINC000587369268 EH Annotated Anodyne CC(C)(C)c1nc2nc(O)nc(O)c2cc1Cc1ccc(Cl)cc1 ZINC000587369279 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)nc2n1 ZINC000587369296 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccccc3CCC(F)(F)F)nc2n1 ZINC000587369303 EH Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc2cc(N(C)C)ccc2c1 ZINC000587369716 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C(C)(C)C)O2 ZINC000587370358 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C(C)(C)C)O2 ZINC000587370359 EH Annotated Reactive Oc1nc(O)c2ccc(-c3ccc(-c4ccc(F)cc4)s3)nc2n1 ZINC000587370441 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1nc3ccccc3[nH]1)O2 ZINC000587370570 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1nc3ccccc3[nH]1)O2 ZINC000587370572 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)COC3)O2 ZINC000587370782 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)COC3)O2 ZINC000587370786 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCO3)O2 ZINC000587370996 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCO3)O2 ZINC000587370999 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)cc1C)O2 ZINC000587371153 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)cc1C)O2 ZINC000587371156 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)o1)O2 ZINC000587371303 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)o1)O2 ZINC000587371308 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1CCBr)O2 ZINC000587371398 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1CCBr)O2 ZINC000587371399 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1CCBr)O2 ZINC000587371400 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1CCBr)O2 ZINC000587371401 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(Br)c1C)O2 ZINC000587371593 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc(Br)c1C)O2 ZINC000587371594 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Br)n1)O2 ZINC000587371623 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(Br)cn1)O2 ZINC000587371707 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(Br)cn1)O2 ZINC000587371709 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cn1)O2 ZINC000587371777 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cn1)O2 ZINC000587371779 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Br)n1)O2 ZINC000587371846 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(O)c(C)c1)O2 ZINC000587371887 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(O)c(C)c1)O2 ZINC000587371891 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cncc(Br)c1)O2 ZINC000587372186 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cncc(Br)c1)O2 ZINC000587372188 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1ccc(Br)cc1)O2 ZINC000587372237 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1ccc(Br)cc1)O2 ZINC000587372250 EH Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587372614 EH Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587372617 EH Annotated Anodyne COc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587372670 EH Annotated Anodyne COc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587372672 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(C#N)cc1)O2 ZINC000587372809 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(C#N)cc1)O2 ZINC000587372819 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CCl)c1)O2 ZINC000587372961 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c3ncccc13)O2 ZINC000587372962 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(CCl)c1)O2 ZINC000587372963 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3ncccc13)O2 ZINC000587372964 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccnc1Br)O2 ZINC000587373013 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccnc1Br)O2 ZINC000587373015 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(COc1ccccc1)O2 ZINC000587373019 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(COc1ccccc1)O2 ZINC000587373021 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)nc1C)O2 ZINC000587373191 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)nc1C)O2 ZINC000587373194 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1O ZINC000587373388 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1O ZINC000587373391 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)cc1C)O2 ZINC000587373476 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)cc1C)O2 ZINC000587373477 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c(Br)c1C)O2 ZINC000587373581 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c(Br)c1C)O2 ZINC000587373587 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccncc1Br)O2 ZINC000587373931 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccncc1Br)O2 ZINC000587373933 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)O)cc1Cl)O2 ZINC000587374063 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)O)cc1Cl)O2 ZINC000587374067 EH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OC ZINC000587374116 EH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OC ZINC000587374117 EH Annotated Anodyne C#CCOc1cccc(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374240 EH Annotated Mild C#CCOc1cccc(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374266 EH Annotated Mild COc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374324 EH Annotated Reactive COc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587374325 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)nc1)O2 ZINC000587374357 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)nc1)O2 ZINC000587374359 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccn1)O2 ZINC000587374372 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccn1)O2 ZINC000587374373 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c3ccncc13)O2 ZINC000587374491 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3ccncc13)O2 ZINC000587374493 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCl)cc1)O2 ZINC000587374671 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCl)cc1)O2 ZINC000587374679 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(Br)c1)O2 ZINC000587374951 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(Br)c1)O2 ZINC000587374953 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(C)cn1)O2 ZINC000587375048 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)cn1)O2 ZINC000587375049 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1O)O2 ZINC000587375149 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1O)O2 ZINC000587375153 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Cl)O2 ZINC000587375381 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Cl)O2 ZINC000587375382 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N)cccc1Br)O2 ZINC000587375461 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N)cccc1Br)O2 ZINC000587375464 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(C)n1)O2 ZINC000587375570 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(C)n1)O2 ZINC000587375571 EH Annotated Anodyne CC[C@]1(CCCBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375604 EH Annotated Reactive CC[C@@]1(CCCBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375609 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)CCCl)cc1)O2 ZINC000587375738 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)CCCl)cc1)O2 ZINC000587375739 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1[N+](=O)[O-])O2 ZINC000587375761 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1[N+](=O)[O-])O2 ZINC000587375763 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000587375787 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000587375788 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1)O2 ZINC000587376033 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc([N+](=O)[O-])c1)O2 ZINC000587376034 EH Annotated Bother COC(=O)c1ccc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587376270 EH Annotated Anodyne COC(=O)c1ccc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587376271 EH Annotated Anodyne C#CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376306 EH Annotated Mild C#CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376308 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1)O2 ZINC000587376372 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1)O2 ZINC000587376373 EH Annotated Reactive COc1cc(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587376431 EH Annotated Anodyne COc1cc(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587376432 EH Annotated Anodyne COc1cc(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587376467 EH Annotated Anodyne COc1cc(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587376468 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc([N+](=O)[O-])c1Cl)O2 ZINC000587376469 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc([N+](=O)[O-])c1Cl)O2 ZINC000587376471 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O)c1Br)O2 ZINC000587376486 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O)c1Br)O2 ZINC000587376489 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C#N)cc1Cl)O2 ZINC000587376495 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C#N)cc1Cl)O2 ZINC000587376509 EH Annotated Mild COc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376528 EH Annotated Anodyne COc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376529 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1Cl ZINC000587376574 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1Cl ZINC000587376576 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCCC1)O2 ZINC000587376624 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CCCC1)O2 ZINC000587376626 EH Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCSC2)[C@@H]1c1ccc(F)cc1 ZINC000587376757 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSC2)[C@H]1c1ccc(F)cc1 ZINC000587376764 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSC2)[C@@H]1c1ccc(F)cc1 ZINC000587376767 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1occc1Br)O2 ZINC000587376768 EH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCSC2)[C@H]1c1ccc(F)cc1 ZINC000587376770 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1occc1Br)O2 ZINC000587376771 EH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1Cl ZINC000587376797 EH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1Cl ZINC000587376802 EH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O ZINC000587376805 EH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O ZINC000587376810 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1cccc(Cl)c1)O2 ZINC000587376943 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1cccc(Cl)c1)O2 ZINC000587376949 EH Annotated Anodyne COc1ncc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376969 EH Annotated Anodyne COc1ncc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587376972 EH Annotated Anodyne COC(=O)c1cc(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587377096 EH Annotated Anodyne COC(=O)c1cc(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587377097 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)cc1Br)O2 ZINC000587377113 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)cc1Br)O2 ZINC000587377116 EH Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1Cl ZINC000587377190 EH Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1Cl ZINC000587377195 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(N)c1)O2 ZINC000587377221 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(N)c1)O2 ZINC000587377224 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(O)c1)O2 ZINC000587377227 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(O)c1)O2 ZINC000587377228 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1Cl)O2 ZINC000587377314 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1Cl)O2 ZINC000587377316 EH Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1O ZINC000587377331 EH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1O ZINC000587377333 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1Cl ZINC000587377354 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1Cl ZINC000587377355 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(CCCl)c1)O2 ZINC000587377373 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CCCl)c1)O2 ZINC000587377374 EH Annotated Reactive C#CCOc1ccc(Cl)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377415 EH Annotated Mild C#CCOc1ccc(Cl)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377416 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1O)O2 ZINC000587377454 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1O)O2 ZINC000587377456 EH Annotated Anodyne COC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377468 EH Annotated Anodyne COC[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377471 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1ccc(Cl)cc1)O2 ZINC000587377505 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1ccc(Cl)cc1)O2 ZINC000587377506 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)ccc([N+](=O)[O-])c1Cl)O2 ZINC000587377588 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)ccc([N+](=O)[O-])c1Cl)O2 ZINC000587377592 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc(Br)c1)O2 ZINC000587377626 EH Annotated Anodyne COc1cc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587377628 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc(Br)c1)O2 ZINC000587377629 EH Annotated Anodyne COc1cc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587377630 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1OC ZINC000587377768 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1OC ZINC000587377769 EH Annotated Anodyne CC(=O)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377780 EH Annotated Anodyne CC(=O)[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377781 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1)O2 ZINC000587377800 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(Cl)c1)O2 ZINC000587377801 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1N)O2 ZINC000587377862 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1N)O2 ZINC000587377864 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1C(=O)O)O2 ZINC000587377865 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1C(=O)O)O2 ZINC000587377868 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(C(=O)O)c1)O2 ZINC000587378032 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(C(=O)O)c1)O2 ZINC000587378034 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)cccc1Br)O2 ZINC000587378145 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)cccc1Br)O2 ZINC000587378146 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000587378164 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000587378167 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)CC1(CCC(CBr)CC1)O2 ZINC000587378210 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc(Cl)nc31)O2 ZINC000587378245 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc(Cl)nc31)O2 ZINC000587378248 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N)O2 ZINC000587378311 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1N)O2 ZINC000587378312 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)ccc1Br)O2 ZINC000587378327 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)ccc1Br)O2 ZINC000587378329 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Cl)c(N)cc31)O2 ZINC000587378350 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Cl)c(N)cc31)O2 ZINC000587378352 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C#N)c1ccc(Cl)cc1)O2 ZINC000587378417 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C#N)c1ccc(Cl)cc1)O2 ZINC000587378421 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C#N)c1ccc(Cl)cc1)O2 ZINC000587378424 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C#N)c1ccc(Cl)cc1)O2 ZINC000587378426 EH Annotated Mild CC(=O)[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378447 EH Annotated Anodyne CC(=O)[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378449 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncccc1Br)O2 ZINC000587378565 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncccc1Br)O2 ZINC000587378566 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1O)O2 ZINC000587378620 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1O)O2 ZINC000587378622 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc(Cl)cc31)O2 ZINC000587378628 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3ccc(Cl)cc31)O2 ZINC000587378632 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(C)o1)O2 ZINC000587378636 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)o1)O2 ZINC000587378637 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc3c1OCOC3)O2 ZINC000587378744 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc3c1OCOC3)O2 ZINC000587378750 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(=O)O)c1Cl)O2 ZINC000587378781 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(=O)O)c1Cl)O2 ZINC000587378782 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1O)O2 ZINC000587378851 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc([N+](=O)[O-])c1O)O2 ZINC000587378853 EH Annotated Bother CCCn1nc(C)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378860 EH Annotated Anodyne CCCn1nc(C)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378873 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N)O2 ZINC000587378963 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N)O2 ZINC000587378964 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1cccc(Br)c1)O2 ZINC000587378987 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1cccc(Br)c1)O2 ZINC000587378988 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ncc(Cl)cc31)O2 ZINC000587379034 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ncc(Cl)cc31)O2 ZINC000587379035 EH Annotated Anodyne Cc1cnc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587379116 EH Annotated Anodyne Cc1cnc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 ZINC000587379117 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c3nccc-3cc1Cl)O2 ZINC000587379208 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c3nccc-3cc1Cl)O2 ZINC000587379213 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1[N+](=O)[O-])O2 ZINC000587379217 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1[N+](=O)[O-])O2 ZINC000587379219 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(COc3ccc(Cl)cc3C1)O2 ZINC000587379227 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COc3ccc(Cl)cc3C1)O2 ZINC000587379230 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3ccc(Cl)cc31)O2 ZINC000587379288 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3ccc(Cl)cc31)O2 ZINC000587379290 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(Cl)ncc13)O2 ZINC000587379364 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(Cl)ncc13)O2 ZINC000587379365 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(COCc3cccc(Cl)c31)O2 ZINC000587379450 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COCc3cccc(Cl)c31)O2 ZINC000587379455 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nn(C)c3cccc(Cl)c13)O2 ZINC000587379493 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nn(C)c3cccc(Cl)c13)O2 ZINC000587379499 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)c[nH]c3nccc1-3)O2 ZINC000587379582 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)c[nH]c3nccc1-3)O2 ZINC000587379585 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3cc(Cl)ccc3n1C)O2 ZINC000587379603 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3cc(Cl)ccc3n1C)O2 ZINC000587379605 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c3nccc(Cl)c13)O2 ZINC000587379630 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c3nccc(Cl)c13)O2 ZINC000587379633 EH Annotated Anodyne C[C@H](S)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379774 EH Annotated Mild C[C@H](S)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379782 EH Annotated Mild C[C@H](S)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379783 EH Annotated Mild C[C@H](S)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379784 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(O)c(Cl)cc31)O2 ZINC000587379877 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(O)c(Cl)cc31)O2 ZINC000587379881 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c3c(c1)OCO3)O2 ZINC000587379882 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c3c(c1)OCO3)O2 ZINC000587379883 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(Cl)ccc31)O2 ZINC000587379890 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(Cl)ccc31)O2 ZINC000587379891 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c3c(c1)OCCO3)O2 ZINC000587379902 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c3c(c1)OCCO3)O2 ZINC000587379903 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCC#N)O2 ZINC000587379938 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCC#N)O2 ZINC000587379939 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)c(O)nc1C)O2 ZINC000587379956 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)c(O)nc1C)O2 ZINC000587379957 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C#N)c(Cl)nc1C)O2 ZINC000587379988 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C#N)c(Cl)nc1C)O2 ZINC000587379989 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Cl)cccc31)O2 ZINC000587380079 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Cl)cccc31)O2 ZINC000587380080 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Cl)=COc2cc(O)ccc21 ZINC000587380087 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Cl)=COc2cc(O)ccc21 ZINC000587380088 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC[C@@H]1Cl ZINC000587380093 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC[C@H]1Cl ZINC000587380094 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC[C@H]1Cl ZINC000587380095 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC[C@@H]1Cl ZINC000587380096 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)C)nn(C)c1Cl)O2 ZINC000587380219 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)C)nn(C)c1Cl)O2 ZINC000587380220 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(Cl)ccc31)O2 ZINC000587380233 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(Cl)ccc31)O2 ZINC000587380234 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(C)nc1Cl)O2 ZINC000587380237 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(C)nc1Cl)O2 ZINC000587380238 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Cl)nc1Cl)O2 ZINC000587380261 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Cl)nc1Cl)O2 ZINC000587380262 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3[nH]nc(Cl)c3c1)O2 ZINC000587380288 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3[nH]nc(Cl)c3c1)O2 ZINC000587380289 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3ccc(Cl)cn13)O2 ZINC000587380294 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3ccc(Cl)cn13)O2 ZINC000587380295 EH Annotated Anodyne COc1cc(F)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587380482 EH Annotated Anodyne COc1cc(F)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587380487 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)c3ccnc(Cl)c13)O2 ZINC000587380576 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)c3ccnc(Cl)c13)O2 ZINC000587380577 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3nccc-3c1Cl)O2 ZINC000587380616 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3nccc-3c1Cl)O2 ZINC000587380618 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)F)nn(C)c1Cl)O2 ZINC000587380816 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)F)nn(C)c1Cl)O2 ZINC000587380817 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3cc(Cl)ccc31)O2 ZINC000587380848 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3cc(Cl)ccc31)O2 ZINC000587380850 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ncc(Cl)cc13)O2 ZINC000587380860 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ncc(Cl)cc13)O2 ZINC000587380862 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccc(Cl)cc3n1C)O2 ZINC000587380870 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccc(Cl)cc3n1C)O2 ZINC000587380871 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc3c1OCC3)O2 ZINC000587380874 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc3c1OCC3)O2 ZINC000587380875 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)ncnc1Cl)O2 ZINC000587380878 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)ncnc1Cl)O2 ZINC000587380879 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1Cl)OCO3)O2 ZINC000587380914 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1Cl)OCO3)O2 ZINC000587380916 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3nccc(Cl)c13)O2 ZINC000587380926 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3nccc(Cl)c13)O2 ZINC000587380928 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1OC(F)(F)O3)O2 ZINC000587380964 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1OC(F)(F)O3)O2 ZINC000587380966 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3ccc(Cl)cc3[nH]1)O2 ZINC000587380967 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3ccc(Cl)cc3[nH]1)O2 ZINC000587380969 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)nc3ccccn13)O2 ZINC000587381007 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)nc3ccccn13)O2 ZINC000587381010 EH Annotated Anodyne CC[C@@]1(c2cc(C(=O)O)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381032 EH Annotated Anodyne CC[C@]1(c2cc(C(=O)O)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381033 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)OC(F)(F)O3)O2 ZINC000587381046 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)OC(F)(F)O3)O2 ZINC000587381047 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)c(F)cc(F)c1F)O2 ZINC000587381066 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)c(F)cc(F)c1F)O2 ZINC000587381069 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc3ccccn13)O2 ZINC000587381137 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc3ccccn13)O2 ZINC000587381138 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)c(O)c1)O2 ZINC000587381260 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)c(O)c1)O2 ZINC000587381261 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OC(F)(F)O3)O2 ZINC000587381282 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)OC(F)(F)O3)O2 ZINC000587381283 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3cc(Cl)ccc3n1)O2 ZINC000587381434 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3cc(Cl)ccc3n1)O2 ZINC000587381435 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3nc(Cl)ccc13)O2 ZINC000587381478 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3nc(Cl)ccc13)O2 ZINC000587381479 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)nc1)O2 ZINC000587381488 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)nc1)O2 ZINC000587381489 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccnc(C(F)(F)F)c1)O2 ZINC000587381496 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccnc(C(F)(F)F)c1)O2 ZINC000587381497 EH Annotated Anodyne COC(OC)c1ccc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587381569 EH Annotated Anodyne COC(OC)c1ccc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587381570 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(F)F)cc1)O2 ZINC000587381597 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(F)F)cc1)O2 ZINC000587381600 EH Annotated Anodyne COc1c(F)cc(F)cc1CC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381633 EH Annotated Anodyne COc1c(F)cc(F)cc1CC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381635 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(CC(F)(F)F)s1)O2 ZINC000587381753 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(CC(F)(F)F)s1)O2 ZINC000587381754 EH Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)c1F ZINC000587381803 EH Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)c1F ZINC000587381804 EH Annotated Anodyne CC[C@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381805 EH Annotated Anodyne CC[C@@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381806 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)c(F)c(F)c(F)c1F)O2 ZINC000587381819 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)c(F)c(F)c(F)c1F)O2 ZINC000587381820 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(C#N)c1Cl)O2 ZINC000587381891 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(C#N)c1Cl)O2 ZINC000587381894 EH Annotated Mild COc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587381929 EH Annotated Reactive COc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587381930 EH Annotated Reactive COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(F)F)c1 ZINC000587381940 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(F)F)c1 ZINC000587381941 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc(C(F)(F)F)cs1)O2 ZINC000587381944 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc(C(F)(F)F)cs1)O2 ZINC000587381945 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])ccc1F)O2 ZINC000587382119 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])ccc1F)O2 ZINC000587382120 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(F)ccc1F)O2 ZINC000587382121 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(F)ccc1F)O2 ZINC000587382122 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(F)F)O2 ZINC000587382191 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(F)F)O2 ZINC000587382192 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(C(F)(F)F)s1)O2 ZINC000587382221 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(C(F)(F)F)s1)O2 ZINC000587382222 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnn(CC(C)C)c1)(C(F)F)O2 ZINC000587382247 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnn(CC(C)C)c1)(C(F)F)O2 ZINC000587382248 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)O2 ZINC000587382464 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)O2 ZINC000587382465 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(F)c(F)c1)O2 ZINC000587382471 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(F)c(F)c1)O2 ZINC000587382472 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(F)F)c1)O2 ZINC000587382487 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(F)F)c1)O2 ZINC000587382488 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1-n1cccn1)O2 ZINC000587382533 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1-n1cccn1)O2 ZINC000587382534 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C(F)(F)F)s1)O2 ZINC000587382541 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C(F)(F)F)s1)O2 ZINC000587382542 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)c(F)c(O)c(F)c1F)O2 ZINC000587382707 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)c(F)c(O)c(F)c1F)O2 ZINC000587382714 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)cn1)O2 ZINC000587382800 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cn1)O2 ZINC000587382801 EH Annotated Anodyne COc1c(F)cc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587382893 EH Annotated Anodyne COc1c(F)cc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587382895 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCF)cc1)O2 ZINC000587382921 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCF)cc1)O2 ZINC000587382925 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc3c1OC(F)(F)O3)O2 ZINC000587382949 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc3c1OC(F)(F)O3)O2 ZINC000587382950 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(F)c(F)c1)O2 ZINC000587382972 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(F)c(F)c1)O2 ZINC000587382973 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc3nccn13)O2 ZINC000587382981 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccc3nccn13)O2 ZINC000587382983 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3cc(C)cc(Cl)c3n1)O2 ZINC000587382993 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3cc(C)cc(Cl)c3n1)O2 ZINC000587383005 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(F)c(F)c1F)O2 ZINC000587383106 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(F)c(F)c1F)O2 ZINC000587383107 EH Annotated Anodyne COc1c(F)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587383114 EH Annotated Anodyne COc1c(F)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587383115 EH Annotated Anodyne COc1c(F)cccc1CC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383116 EH Annotated Anodyne COc1c(F)cccc1CC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383119 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(F)ccc1F)O2 ZINC000587383164 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(F)ccc1F)O2 ZINC000587383165 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncccc1C(F)(F)F)O2 ZINC000587383276 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncccc1C(F)(F)F)O2 ZINC000587383278 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C)ccc1OC(F)F)O2 ZINC000587383309 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C)ccc1OC(F)F)O2 ZINC000587383313 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(F)(F)[C@@H](F)C(F)(F)F)O2 ZINC000587383358 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(F)(F)[C@H](F)C(F)(F)F)O2 ZINC000587383361 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(F)(F)[C@H](F)C(F)(F)F)O2 ZINC000587383364 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(F)(F)[C@@H](F)C(F)(F)F)O2 ZINC000587383366 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(C)cc1F)O2 ZINC000587383419 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(C)cc1F)O2 ZINC000587383424 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3ccc(Cl)cn13)O2 ZINC000587383476 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3ccc(Cl)cn13)O2 ZINC000587383477 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587383549 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587383550 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3ccc(F)cc3c1=O)O2 ZINC000587383607 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3ccc(F)cc3c1=O)O2 ZINC000587383609 EH Annotated Anodyne CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)n1 ZINC000587383646 EH Annotated Anodyne CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)n1 ZINC000587383648 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C(F)(F)F)cs1)O2 ZINC000587383666 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C(F)(F)F)cs1)O2 ZINC000587383668 EH Annotated Anodyne CCn1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383721 EH Annotated Anodyne CCn1nc(C(F)(F)F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383723 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)Oc3ccc(F)cc31)O2 ZINC000587383749 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)Oc3ccc(F)cc31)O2 ZINC000587383750 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)Oc3ccc(F)cc31)O2 ZINC000587383751 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)Oc3ccc(F)cc31)O2 ZINC000587383752 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(F)F ZINC000587383821 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(F)F ZINC000587383822 EH Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F ZINC000587383893 EH Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F ZINC000587383894 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc3c1OCCC3)O2 ZINC000587383910 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc3c1OCCC3)O2 ZINC000587383916 EH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587383944 EH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F ZINC000587383946 EH Annotated Anodyne COC(OC)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587384117 EH Annotated Anodyne COC(OC)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587384119 EH Annotated Anodyne CCn1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C(F)(F)F ZINC000587384168 EH Annotated Anodyne CCn1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C(F)(F)F ZINC000587384170 EH Annotated Anodyne COc1ccc(OC(F)F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384211 EH Annotated Anodyne COc1ccc(OC(F)F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384215 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccccc1F)O2 ZINC000587384265 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccccc1F)O2 ZINC000587384267 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)ccc1[N+](=O)[O-])O2 ZINC000587384269 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)n1C)O2 ZINC000587384286 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)n1C)O2 ZINC000587384287 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](F)C#N)O2 ZINC000587384290 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](F)C#N)O2 ZINC000587384291 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](F)C#N)O2 ZINC000587384292 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](F)C#N)O2 ZINC000587384293 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(F)cc3)c1)O2 ZINC000587384342 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(F)cc3)c1)O2 ZINC000587384343 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(F)ccc3c1=O)O2 ZINC000587384362 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3cc(F)ccc3c1=O)O2 ZINC000587384363 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc(F)ccc31)O2 ZINC000587384396 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc(F)ccc31)O2 ZINC000587384397 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)ccc1[N+](=O)[O-])O2 ZINC000587384406 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c3nccc-3c(Cl)c1F)O2 ZINC000587384417 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c3nccc-3c(Cl)c1F)O2 ZINC000587384418 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(F)cc1F)O2 ZINC000587384463 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(F)cc1F)O2 ZINC000587384464 EH Annotated Reactive CC(=O)c1cccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587384499 EH Annotated Anodyne CC(=O)c1cccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587384500 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(F)cc1)O2 ZINC000587384526 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(F)cc1)O2 ZINC000587384527 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(F)cc1)O2 ZINC000587384528 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(F)cc1)O2 ZINC000587384529 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3ccc(F)cc31)O2 ZINC000587384538 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3ccc(F)cc31)O2 ZINC000587384539 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(F)cc1F)O2 ZINC000587384629 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(F)cc1F)O2 ZINC000587384630 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1N(C)C)O2 ZINC000587384676 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1N(C)C)O2 ZINC000587384677 EH Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587384702 EH Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587384703 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cccc(F)c1)O2 ZINC000587384723 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cccc(F)c1)O2 ZINC000587384724 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cc1ccc(F)cc1)O2 ZINC000587384761 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1ccc(F)cc1)O2 ZINC000587384762 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3cccc(F)c3)CC1)O2 ZINC000587384809 EH Annotated Anodyne COc1cc2c(cc1F)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384826 EH Annotated Anodyne COc1cc2c(cc1F)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384828 EH Annotated Anodyne COc1cc2c(cc1F)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384960 EH Annotated Anodyne COc1cc2c(cc1F)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384961 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(/C=C\C=O)c1F)O2 ZINC000587385048 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(/C=C/C=O)c1F)O2 ZINC000587385055 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(/C=C\C=O)c1F)O2 ZINC000587385057 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(/C=C/C=O)c1F)O2 ZINC000587385060 EH Annotated Reactive C/C(=C\[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587385069 EH Annotated Anodyne C/C(=C\[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587385070 EH Annotated Anodyne COc1cccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587385089 EH Annotated Anodyne COc1cccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587385091 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C(C)C)nc1)O2 ZINC000587385167 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccccc3F)c1)O2 ZINC000587385170 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccccc3F)c1)O2 ZINC000587385171 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C(C)C)nc1)O2 ZINC000587385172 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCCC#N)c1)O2 ZINC000587385232 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCCC#N)c1)O2 ZINC000587385235 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3ccnc3)c(F)c1)O2 ZINC000587385333 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccnc3)c(F)c1)O2 ZINC000587385334 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccccc3F)CC1)O2 ZINC000587385345 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1c[nH]c3cc(F)ccc13)O2 ZINC000587385434 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1c[nH]c3cc(F)ccc13)O2 ZINC000587385435 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(CCC=O)c1F)O2 ZINC000587385463 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(CCC=O)c1F)O2 ZINC000587385465 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CSCc3c(F)cccc31)O2 ZINC000587385530 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(F)cc3)CC1)O2 ZINC000587385532 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CSCc3c(F)cccc31)O2 ZINC000587385535 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(F)cc1)O2 ZINC000587385573 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(F)cc1)O2 ZINC000587385577 EH Annotated Anodyne COc1ccc([C@]2(CCC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385675 EH Annotated Mild COc1ccc([C@@]2(CCC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385679 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1[N+](=O)[O-])O2 ZINC000587385711 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1[N+](=O)[O-])O2 ZINC000587385712 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccc(F)cc1)O2 ZINC000587385763 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc(F)cc1)O2 ZINC000587385765 EH Annotated Reactive COc1ccc(C[C@@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587385849 EH Annotated Anodyne COc1ccc(C[C@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587385855 EH Annotated Anodyne COc1ccc(C[C@@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587385860 EH Annotated Anodyne COc1ccc(C[C@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587385863 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3F)nc1)O2 ZINC000587385866 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3F)nc1)O2 ZINC000587385868 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cccn3)c(F)c1)O2 ZINC000587385891 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cccn3)c(F)c1)O2 ZINC000587385896 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cc1ccccc1F)O2 ZINC000587385917 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1ccccc1F)O2 ZINC000587385919 EH Annotated Reactive Cc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385983 EH Annotated Anodyne Cc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385985 EH Annotated Anodyne COc1cc(F)c2c(c1)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385999 EH Annotated Anodyne COc1cc(F)c2c(c1)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386001 EH Annotated Anodyne CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(F)ccc2O1 ZINC000587386009 EH Annotated Anodyne CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(F)ccc2O1 ZINC000587386011 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3cccc(F)c3)c1)O2 ZINC000587386016 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3cccc(F)c3)c1)O2 ZINC000587386017 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(F)cc(F)cc31)O2 ZINC000587386055 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(F)cc(F)cc31)O2 ZINC000587386056 EH Annotated Anodyne COc1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587386158 EH Annotated Anodyne COc1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587386159 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3c(C)cc(F)cc13)O2 ZINC000587386247 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3c(C)cc(F)cc13)O2 ZINC000587386257 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CC(C)(C)NC(=O)OC(C)(C)C)O2 ZINC000587386323 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)O2 ZINC000587386337 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000587386346 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc(C#N)cc1)O2 ZINC000587386351 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc(C#N)cc1)O2 ZINC000587386352 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc(C#N)cc1)O2 ZINC000587386353 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc(C#N)cc1)O2 ZINC000587386354 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C ZINC000587386356 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000587386357 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000587386358 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](N=O)[C@H]2CC[C@]1(C)C2(C)C ZINC000587386359 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000587386362 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C ZINC000587386364 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](N=O)[C@H]2CC[C@]1(C)C2(C)C ZINC000587386366 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1-c1ccc(F)cc1)O2 ZINC000587386427 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnn1-c1ccc(F)cc1)O2 ZINC000587386428 EH Annotated Anodyne COCC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386431 EH Annotated Anodyne COCC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386432 EH Annotated Anodyne CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587386494 EH Annotated Anodyne CCN(CC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587386495 EH Annotated Anodyne COCC[C@]1(Cc2cccc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386564 EH Annotated Anodyne COCC[C@@]1(Cc2cccc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386565 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1-n1cccn1)O2 ZINC000587386630 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1-n1cccn1)O2 ZINC000587386631 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc([N+](=O)[O-])c1F)O2 ZINC000587386646 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc([N+](=O)[O-])c1F)O2 ZINC000587386648 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C#N)=COc2ccc(C)cc21 ZINC000587386814 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C#N)=COc2ccc(C)cc21 ZINC000587386815 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccccc1C)O2 ZINC000587386816 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccccc1C)O2 ZINC000587386817 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)CCC#N)cc1)O2 ZINC000587386824 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)CCC#N)cc1)O2 ZINC000587386825 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccccc1F)O2 ZINC000587386919 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccccc1F)O2 ZINC000587386920 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc(F)c(F)c1)O2 ZINC000587386926 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc(F)c(F)c1)O2 ZINC000587386928 EH Annotated Anodyne COC[C@@]1(c2cccc(Cl)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387036 EH Annotated Anodyne COC[C@]1(c2cccc(Cl)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387038 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(F)cc(F)c1)O2 ZINC000587387115 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(F)cc(F)c1)O2 ZINC000587387118 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCN(C)C(=O)OC(C)(C)C)O2 ZINC000587387413 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCN(C)C(=O)OC(C)(C)C)O2 ZINC000587387414 EH Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CC#N ZINC000587387515 EH Annotated Mild COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CC#N ZINC000587387516 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=C(C#N)C#N)c3ccccc31)O2 ZINC000587387737 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=C(C#N)C#N)c3ccccc31)O2 ZINC000587387738 EH Annotated Reactive COc1ccc2c(c1F)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388012 EH Annotated Anodyne COc1ccc2c(c1F)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388013 EH Annotated Anodyne Cc1ccc(/C(=C\N(C)C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388151 EH Annotated Anodyne Cc1ccc(/C(=C\N(C)C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388152 EH Annotated Anodyne Cc1ccc(/C(=C/N(C)C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388153 EH Annotated Anodyne Cc1ccc(/C(=C/N(C)C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388154 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587388166 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587388167 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587388168 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587388169 EH Annotated Anodyne CCC[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388186 EH Annotated Anodyne CCC[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388187 EH Annotated Anodyne CCN(CC)CC1([C@H]2CC(=O)c3cc(C)cc(N)c3O2)CCCC1 ZINC000587388216 EH Annotated Anodyne CCN(CC)CC1([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CCCC1 ZINC000587388217 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)O2 ZINC000587388236 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)O2 ZINC000587388237 EH Annotated Anodyne Cc1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388265 EH Annotated Anodyne Cc1cccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388266 EH Annotated Anodyne CCOc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388404 EH Annotated Bother CCOc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388407 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc3c([N+](=O)[O-])cccc13)O2 ZINC000587388442 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc3c([N+](=O)[O-])cccc13)O2 ZINC000587388443 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cccc([N+](=O)[O-])c3n1)O2 ZINC000587388473 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cccc([N+](=O)[O-])c3n1)O2 ZINC000587388474 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c([N+](=O)[O-])cccc31)O2 ZINC000587388563 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c([N+](=O)[O-])cccc31)O2 ZINC000587388565 EH Annotated Bother CC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388585 EH Annotated Bother CC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388596 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc([N+](=O)[O-])ccc3n1)O2 ZINC000587388603 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc([N+](=O)[O-])ccc3n1)O2 ZINC000587388604 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc([N+](=O)[O-])cc31)O2 ZINC000587388606 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc([N+](=O)[O-])cc31)O2 ZINC000587388607 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc([N+](=O)[O-])ccc3o1)O2 ZINC000587388643 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc([N+](=O)[O-])ccc3o1)O2 ZINC000587388644 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ncccc1C)O2 ZINC000587388737 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ncccc1C)O2 ZINC000587388738 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc(C#N)c1)O2 ZINC000587388747 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc(C#N)c1)O2 ZINC000587388748 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3ccc(N)cc31)O2 ZINC000587388776 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3ccc(N)cc31)O2 ZINC000587388780 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(C(C)C)c1C)O2 ZINC000587388790 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(C(C)C)c1C)O2 ZINC000587388792 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C)n1-c1ccccc1)O2 ZINC000587388836 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C)n1-c1ccccc1)O2 ZINC000587388837 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)cccc1[N+](=O)[O-])O2 ZINC000587388880 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)cccc1[N+](=O)[O-])O2 ZINC000587388881 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([N+](=O)[O-])cc1C)O2 ZINC000587388894 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([N+](=O)[O-])cc1C)O2 ZINC000587388895 EH Annotated Bother COc1ccc2c(c1)c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C ZINC000587388948 EH Annotated Anodyne COc1ccc2c(c1)c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C ZINC000587388951 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-n1ccnc1)O2 ZINC000587389002 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-n1ccnc1)O2 ZINC000587389003 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-n1ccnc1C)O2 ZINC000587389015 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-n1ccnc1C)O2 ZINC000587389016 EH Annotated Anodyne COc1ccc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn(C)c2c1 ZINC000587389021 EH Annotated Anodyne COc1ccc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn(C)c2c1 ZINC000587389022 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc(C)n1)O2 ZINC000587389023 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc(C)n1)O2 ZINC000587389026 EH Annotated Anodyne Cc1ccc([C@]2(c3nccn3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389027 EH Annotated Anodyne Cc1ccc([C@@]2(c3nccn3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389030 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cccc([N+](=O)[O-])c13)O2 ZINC000587389050 EH Annotated Bother CCn1ccnc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389051 EH Annotated Anodyne CCn1ccnc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389053 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cccc([N+](=O)[O-])c13)O2 ZINC000587389056 EH Annotated Bother COc1cccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n(C)c12 ZINC000587389095 EH Annotated Anodyne COc1cccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n(C)c12 ZINC000587389098 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C)c([N+](=O)[O-])c1)O2 ZINC000587389151 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C)c([N+](=O)[O-])c1)O2 ZINC000587389153 EH Annotated Bother CC(=O)n1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587389159 EH Annotated Anodyne CC(=O)n1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587389161 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c([N+](=O)[O-])cccc3cn1)O2 ZINC000587389223 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1CCc1ccccn1)O2 ZINC000587389227 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c([N+](=O)[O-])cccc3cn1)O2 ZINC000587389228 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1CCc1ccccn1)O2 ZINC000587389229 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(C)cc1[N+](=O)[O-])O2 ZINC000587389282 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(C)cc1[N+](=O)[O-])O2 ZINC000587389283 EH Annotated Bother COc1ccc2c(c1)cc([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)n2C ZINC000587389324 EH Annotated Anodyne COc1ccc2c(c1)cc([C@H]1CC(=O)c3cc(C)cc(N)c3O1)n2C ZINC000587389325 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1CCc1ccncc1)O2 ZINC000587389372 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1CCc1ccncc1)O2 ZINC000587389374 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3)nn1C)O2 ZINC000587389377 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3)nn1C)O2 ZINC000587389378 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)n1-c1cccnc1)O2 ZINC000587389450 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)n1-c1cccnc1)O2 ZINC000587389453 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccccc1[N+](=O)[O-])O2 ZINC000587389505 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccccc1[N+](=O)[O-])O2 ZINC000587389506 EH Annotated Bother Cc1ccc([C@]2(c3occc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389536 EH Annotated Anodyne Cc1ccc([C@@]2(c3occc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389537 EH Annotated Anodyne C#CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587389572 EH Annotated Mild C#CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587389574 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ncccc3c1[N+](=O)[O-])O2 ZINC000587389638 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-n1cccn1)O2 ZINC000587389639 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ncccc3c1[N+](=O)[O-])O2 ZINC000587389640 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-n1cccn1)O2 ZINC000587389642 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3ccnc3)cc1)O2 ZINC000587389696 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3ccnc3)cc1)O2 ZINC000587389697 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(Cc3ccccc3)c1)O2 ZINC000587389758 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(Cc3ccccc3)c1)O2 ZINC000587389760 EH Annotated Anodyne C=C(C)Cn1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587389766 EH Annotated Mild C=C(C)Cn1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587389773 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c3cccnc13)O2 ZINC000587389782 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c3cccnc13)O2 ZINC000587389783 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)cc1-c1ccnn1C)O2 ZINC000587389797 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)cc1-c1ccnn1C)O2 ZINC000587389802 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Cn1cccn1)O2 ZINC000587389809 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Cn1cccn1)O2 ZINC000587389811 EH Annotated Anodyne C=CCn1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 ZINC000587389885 EH Annotated Mild C=CCn1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 ZINC000587389904 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3c(cnn3C(C)C)c1)O2 ZINC000587389972 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(cnn3C(C)C)c1)O2 ZINC000587389978 EH Annotated Anodyne CCc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587390073 EH Annotated Bother CCc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587390074 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncn1Cc1ccccc1)O2 ZINC000587390181 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncn1Cc1ccccc1)O2 ZINC000587390183 EH Annotated Anodyne Cc1cccc(-n2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 ZINC000587390250 EH Annotated Anodyne Cc1cccc(-n2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 ZINC000587390252 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cccn3)cc1C)O2 ZINC000587390270 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cccn3)cc1C)O2 ZINC000587390271 EH Annotated Anodyne Cc1ccnc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587390392 EH Annotated Anodyne Cc1ccnc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587390394 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccccc1)O2 ZINC000587390459 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccccc1)O2 ZINC000587390462 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc([N+](=O)[O-])c1)(C1CC1)O2 ZINC000587390532 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc([N+](=O)[O-])c1)(C1CC1)O2 ZINC000587390534 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC=C(NNc3ccccc3)C1)O2 ZINC000587390633 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC=C(NNc3ccccc3)C1)O2 ZINC000587390634 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccnn1-c1ccccc1)O2 ZINC000587390726 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccnn1-c1ccccc1)O2 ZINC000587390729 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1C)O2 ZINC000587390751 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1C)O2 ZINC000587390752 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1-n1cccn1)O2 ZINC000587390756 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1-n1cccn1)O2 ZINC000587390757 EH Annotated Anodyne Cc1cccc(-n2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 ZINC000587390815 EH Annotated Anodyne Cc1cccc(-n2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 ZINC000587390816 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3cccn3)cc1)O2 ZINC000587390908 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc3cccnc13)O2 ZINC000587390927 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc3cccnc13)O2 ZINC000587390928 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ccc([N+](=O)[O-])cc13)O2 ZINC000587390944 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ccc([N+](=O)[O-])cc13)O2 ZINC000587390945 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3cccn3)cc1)O2 ZINC000587391047 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C)c1-c1ccccc1)O2 ZINC000587391054 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C)c1-c1ccccc1)O2 ZINC000587391055 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C(C)(C)C)c1C)O2 ZINC000587391079 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C(C)(C)C)c1C)O2 ZINC000587391080 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1C#N)O2 ZINC000587391093 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1C#N)O2 ZINC000587391094 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccnc3C)cc1)O2 ZINC000587391102 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3ccnc3C)cc1)O2 ZINC000587391106 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(C#N)cc1)O2 ZINC000587391112 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(C#N)cc1)O2 ZINC000587391113 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1Cn1ccnc1)O2 ZINC000587391115 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1Cn1ccnc1)O2 ZINC000587391122 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1Cn1ccnc1)O2 ZINC000587391123 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1Cn1ccnc1)O2 ZINC000587391125 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccccn1)O2 ZINC000587391212 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1ccccn1)O2 ZINC000587391214 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cnn(C)c3)cc1)O2 ZINC000587391218 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cnn(C)c3)cc1)O2 ZINC000587391219 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccn1Cc1ccccc1)O2 ZINC000587391268 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccn1Cc1ccccc1)O2 ZINC000587391271 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c([N+](=O)[O-])cccc13)O2 ZINC000587391321 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c([N+](=O)[O-])cccc13)O2 ZINC000587391322 EH Annotated Bother C=CCn1c(C)cc([C@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587391343 EH Annotated Mild C=CCn1c(C)cc([C@@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587391344 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)ccc1[N+](=O)[O-])O2 ZINC000587391381 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NC1CCCCCC1)O2 ZINC000587391414 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NC1CCCCCC1)O2 ZINC000587391416 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c3ccccc3c1=N)O2 ZINC000587391423 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c3ccccc3c1=N)O2 ZINC000587391425 EH Annotated Anodyne Cc1cccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587391434 EH Annotated Anodyne Cc1cccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587391436 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cccn3)cc1)O2 ZINC000587391462 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cccn3)cc1)O2 ZINC000587391464 EH Annotated Anodyne CCCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C2CC2)n1 ZINC000587391548 EH Annotated Anodyne CCCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C2CC2)n1 ZINC000587391551 EH Annotated Anodyne Cc1ccc(-n2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 ZINC000587391603 EH Annotated Anodyne Cc1ccc(-n2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 ZINC000587391606 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)ccc1[N+](=O)[O-])O2 ZINC000587391647 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)cc(O)n3C)O2 ZINC000587391653 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)cc(O)n3C)O2 ZINC000587391654 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3ccnc3C)cc1)O2 ZINC000587391682 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3ccnc3C)cc1)O2 ZINC000587391684 EH Annotated Anodyne CCn1ncc([C@@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587391688 EH Annotated Anodyne CCn1ncc([C@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587391691 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc([N+](=O)[O-])c1C)O2 ZINC000587391719 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc([N+](=O)[O-])c1C)O2 ZINC000587391720 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cccnc3c1[N+](=O)[O-])O2 ZINC000587391751 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cccnc3c1[N+](=O)[O-])O2 ZINC000587391752 EH Annotated Bother CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587391923 EH Annotated Bother CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587391926 EH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cnn3C(C)C)O2 ZINC000587391933 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cnn3C(C)C)O2 ZINC000587391936 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3)n(C)n1)O2 ZINC000587391948 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3)n(C)n1)O2 ZINC000587391950 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C3CCCC3)nc1C)O2 ZINC000587391952 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C3CCCC3)nc1C)O2 ZINC000587391953 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](n3nc(C)cc3C)C1)O2 ZINC000587391958 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](n3nc(C)cc3C)C1)O2 ZINC000587391972 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](n3nc(C)cc3C)C1)O2 ZINC000587391974 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](n3nc(C)cc3C)C1)O2 ZINC000587391977 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C3CC3)nn1C(C)C)O2 ZINC000587392009 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C3CC3)nn1C(C)C)O2 ZINC000587392012 EH Annotated Anodyne CCC[C@@]1(c2cn(CC)nc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392031 EH Annotated Anodyne CCC[C@]1(c2cn(CC)nc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392043 EH Annotated Anodyne CCC(=O)Nc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587392064 EH Annotated Anodyne CCC(=O)Nc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587392065 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cn(C)c3ccccc13)O2 ZINC000587392075 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cn(C)c3ccccc13)O2 ZINC000587392076 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)c(-c3ccccc3)n1)O2 ZINC000587392081 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)c(-c3ccccc3)n1)O2 ZINC000587392084 EH Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587392159 EH Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587392160 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(Cc3ccccc3)n1)O2 ZINC000587392189 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(Cc3ccccc3)n1)O2 ZINC000587392190 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Cn3cccn3)c1)O2 ZINC000587392304 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Cn3cccn3)c1)O2 ZINC000587392305 EH Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1 ZINC000587392318 EH Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1 ZINC000587392320 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1C(=O)OC(C)(C)C)O2 ZINC000587392328 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1C(=O)OC(C)(C)C)O2 ZINC000587392330 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3)c1)O2 ZINC000587392350 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3)c1)O2 ZINC000587392353 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccccc3C)c1)O2 ZINC000587392364 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccccc3C)c1)O2 ZINC000587392366 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn(C)c1C)O2 ZINC000587392389 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn(C)c1C)O2 ZINC000587392392 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1[C@@H]1CCCN1C)O2 ZINC000587392498 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1[C@H]1CCCN1C)O2 ZINC000587392499 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1[C@@H]1CCCN1C)O2 ZINC000587392500 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1[C@H]1CCCN1C)O2 ZINC000587392501 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1cccnc1)O2 ZINC000587392573 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1cccnc1)O2 ZINC000587392574 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H]3CCC[C@@H](C)C3)CC1)O2 ZINC000587392585 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H]3CCC[C@H](C)C3)CC1)O2 ZINC000587392586 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H]3CCC[C@H](C)C3)CC1)O2 ZINC000587392587 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H]3CCC[C@@H](C)C3)CC1)O2 ZINC000587392588 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)nn1C1CCCC1)O2 ZINC000587392645 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)nn1C1CCCC1)O2 ZINC000587392646 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccn(C)n3)c1)O2 ZINC000587392690 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccn(C)n3)c1)O2 ZINC000587392691 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C3CCCCC3)c1)O2 ZINC000587392696 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C3CCCCC3)c1)O2 ZINC000587392697 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccccc3)c1)O2 ZINC000587392708 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccccc3)c1)O2 ZINC000587392709 EH Annotated Anodyne Cc1ccc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587392804 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccccc3)c1C)O2 ZINC000587392864 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccccc3)c1C)O2 ZINC000587392865 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccccc3C)CC1)O2 ZINC000587392884 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3)c1C)O2 ZINC000587392893 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3)c1C)O2 ZINC000587392894 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)cc1-c1cnn(C)c1)O2 ZINC000587392905 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)cc1-c1cnn(C)c1)O2 ZINC000587392906 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3C)c1)O2 ZINC000587392915 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3C)c1)O2 ZINC000587392916 EH Annotated Anodyne CCc1nn(CC)c2c1[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392941 EH Annotated Anodyne CCc1nn(CC)c2c1[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392942 EH Annotated Anodyne CCn1nc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587392949 EH Annotated Anodyne CCn1nc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587392950 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cnn(C)c3)c1)O2 ZINC000587392957 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cnn(C)c3)c1)O2 ZINC000587392958 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C3CC3)n(C(C)C)n1)O2 ZINC000587392959 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C3CC3)n(C(C)C)n1)O2 ZINC000587392960 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3)nc1)O2 ZINC000587393018 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3)nc1)O2 ZINC000587393026 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnn1-c1ccccc1C)O2 ZINC000587393054 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1-c1ccccc1C)O2 ZINC000587393056 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(C3CCCC3)c1)O2 ZINC000587393209 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(C3CCCC3)c1)O2 ZINC000587393210 EH Annotated Anodyne CCCn1nc(C2CC2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393215 EH Annotated Anodyne CCCn1nc(C2CC2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393216 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(C(C)(C)C)c1C)O2 ZINC000587393220 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(C(C)(C)C)c1C)O2 ZINC000587393224 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ncccn3)c1)O2 ZINC000587393248 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ncccn3)c1)O2 ZINC000587393249 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cnccn3)cc1)O2 ZINC000587393264 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cnccn3)cc1)O2 ZINC000587393265 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1cnccn1)O2 ZINC000587393294 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1cnccn1)O2 ZINC000587393295 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C#N)n3ccccc13)O2 ZINC000587393336 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(C#N)n3ccccc13)O2 ZINC000587393337 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN1CCC[C@@H](C)C1)O2 ZINC000587393377 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN1CCC[C@@H](C)C1)O2 ZINC000587393378 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN1CCC[C@H](C)C1)O2 ZINC000587393379 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN1CCC[C@H](C)C1)O2 ZINC000587393380 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(Cc3ccccc3)C1)O2 ZINC000587393392 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)N(Cc3ccccc3)C1)O2 ZINC000587393393 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(Cc3ccccc3)C1)O2 ZINC000587393394 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)N(Cc3ccccc3)C1)O2 ZINC000587393395 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CN1CCCC1)O2 ZINC000587393419 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CN1CCCC1)O2 ZINC000587393420 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN1CCC(C)CC1)O2 ZINC000587393434 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN1CCC(C)CC1)O2 ZINC000587393435 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ncccn3)c1)O2 ZINC000587393526 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ncccn3)c1)O2 ZINC000587393527 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C=O)c3ccccn13)O2 ZINC000587393602 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(C=O)c3ccccn13)O2 ZINC000587393606 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cnccn3)c1)O2 ZINC000587393750 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cnccn3)c1)O2 ZINC000587393751 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(-c3ccccc3)n1)O2 ZINC000587393784 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(-c3ccccc3)n1)O2 ZINC000587393785 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(C)cc3nc1O)O2 ZINC000587393885 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(C)cc3nc1O)O2 ZINC000587393886 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](c3ncccc3O)C1)O2 ZINC000587393936 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](c3ncccc3O)C1)O2 ZINC000587393939 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](c3ncccc3O)C1)O2 ZINC000587393941 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](c3ncccc3O)C1)O2 ZINC000587393943 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C=O)n3ccccc13)O2 ZINC000587393999 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(C=O)n3ccccc13)O2 ZINC000587394000 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(C)(C)C)n1)O2 ZINC000587394009 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(C)(C)C)n1)O2 ZINC000587394010 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3cnccn3)c1)O2 ZINC000587394027 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3cnccn3)c1)O2 ZINC000587394028 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccn1)O2 ZINC000587394128 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccn1)O2 ZINC000587394130 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3cc(C)ccn3c1C)O2 ZINC000587394241 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3cc(C)ccn3c1C)O2 ZINC000587394242 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccnc1OC(C)C)O2 ZINC000587394293 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccnc1OC(C)C)O2 ZINC000587394294 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cncnc3)cc1)O2 ZINC000587394353 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cncnc3)cc1)O2 ZINC000587394355 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c3ncccc13)O2 ZINC000587394386 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c3ncccc13)O2 ZINC000587394387 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ncccn3)cc1)O2 ZINC000587394520 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ncccn3)cc1)O2 ZINC000587394521 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cnccn3)cc1)O2 ZINC000587394524 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cnccn3)cc1)O2 ZINC000587394525 EH Annotated Anodyne CC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)nc1C ZINC000587394532 EH Annotated Anodyne CC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)nc1C ZINC000587394533 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cncnc1)O2 ZINC000587394557 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cncnc1)O2 ZINC000587394558 EH Annotated Anodyne CCc1nnc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 ZINC000587394579 EH Annotated Anodyne CCc1nnc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 ZINC000587394580 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1cnccc1C)O2 ZINC000587394591 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1cnccc1C)O2 ZINC000587394592 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3nc(C)no3)c1)O2 ZINC000587394595 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3nc(C)no3)c1)O2 ZINC000587394596 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccncc1)O2 ZINC000587394609 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccncc1)O2 ZINC000587394610 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccnc1)O2 ZINC000587394619 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccnc1)O2 ZINC000587394620 EH Annotated Anodyne CCc1noc(C2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)n1 ZINC000587394627 EH Annotated Anodyne COc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 ZINC000587394682 EH Annotated Anodyne COc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 ZINC000587394683 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ncccn3)cc1)O2 ZINC000587394684 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ncccn3)cc1)O2 ZINC000587394685 EH Annotated Anodyne Cc1ccc([C@]2(c3ncccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587394746 EH Annotated Anodyne Cc1ccc([C@@]2(c3ncccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587394747 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cccc(C)c3nc1O)O2 ZINC000587394801 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cccc(C)c3nc1O)O2 ZINC000587394802 EH Annotated Anodyne COc1ccc2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587394815 EH Annotated Anodyne COc1ccc2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587394816 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3nc(O)ccc31)O2 ZINC000587394908 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3nc(O)ccc31)O2 ZINC000587394910 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C#N)(c3ccncc3)CC1)O2 ZINC000587394953 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1nc(-c3ccccc3)no1)O2 ZINC000587394960 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1nc(-c3ccccc3)no1)O2 ZINC000587394961 EH Annotated Anodyne CCC[C@H](C)CN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395217 EH Annotated Anodyne CCC[C@@H](C)CN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395218 EH Annotated Anodyne CC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587395313 EH Annotated Anodyne CC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587395317 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3cnccc3nc1C)O2 ZINC000587395344 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3cnccc3nc1C)O2 ZINC000587395345 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H]3CCCC[C@H]3C)CC1)O2 ZINC000587395541 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H]3CCCC[C@@H]3C)CC1)O2 ZINC000587395542 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H]3CCCC[C@H]3C)CC1)O2 ZINC000587395543 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H]3CCCC[C@@H]3C)CC1)O2 ZINC000587395544 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3nnc(C)o3)cc1)O2 ZINC000587395582 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3nnc(C)o3)cc1)O2 ZINC000587395583 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1nc(C)no1)O2 ZINC000587395644 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1nc(C)no1)O2 ZINC000587395645 EH Annotated Anodyne Cc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395681 EH Annotated Anodyne Cc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395682 EH Annotated Anodyne Cc1cccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587395727 EH Annotated Anodyne Cc1cccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587395728 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2cccnc21 ZINC000587395812 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2cccnc21 ZINC000587395814 EH Annotated Anodyne COc1cccc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)nc12 ZINC000587395855 EH Annotated Anodyne COc1cccc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)nc12 ZINC000587395857 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(C)ccc3nc1O)O2 ZINC000587395878 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(C)ccc3nc1O)O2 ZINC000587395879 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN([C@@H](C)c3ccccc3)C1)O2 ZINC000587395901 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN([C@H](C)c3ccccc3)C1)O2 ZINC000587395908 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN([C@H](C)c3ccccc3)C1)O2 ZINC000587395912 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN([C@@H](C)c3ccccc3)C1)O2 ZINC000587395915 EH Annotated Anodyne Cc1ccc([C@]2(c3ncc[nH]3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395961 EH Annotated Anodyne Cc1ccc([C@@]2(c3ncc[nH]3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587395962 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3ccccc3nc1C)O2 ZINC000587396115 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3ccccc3nc1C)O2 ZINC000587396117 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3noc(C)n3)c1)O2 ZINC000587396184 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3noc(C)n3)c1)O2 ZINC000587396185 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc3ncccc3c1)O2 ZINC000587396211 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc3ncccc3c1)O2 ZINC000587396213 EH Annotated Mild COc1nc2ccccc2cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396311 EH Annotated Anodyne COc1nc2ccccc2cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396312 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1n[nH]c3ccccc13)O2 ZINC000587396371 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1n[nH]c3ccccc13)O2 ZINC000587396372 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C3CCC(C)CC3)CC1)O2 ZINC000587396523 EH Annotated Anodyne COc1cccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587396598 EH Annotated Anodyne COc1cccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587396599 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C3CCCCC3)CC1)O2 ZINC000587396623 EH Annotated Anodyne CCCCCCN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396654 EH Annotated Anodyne COc1ccc2[nH]cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587396687 EH Annotated Anodyne COc1ccc2[nH]cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 ZINC000587396691 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(CC3CCCCC3)CC1)O2 ZINC000587396723 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1ccc(N)cc31)O2 ZINC000587396767 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccc(N)cc31)O2 ZINC000587396771 EH Annotated Anodyne COc1ccc2c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 ZINC000587397041 EH Annotated Anodyne COc1ccc2c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 ZINC000587397042 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1c[nH]c3ccccc13)O2 ZINC000587397043 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1c[nH]c3ccccc13)O2 ZINC000587397044 EH Annotated Mild COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397061 EH Annotated Anodyne COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397062 EH Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397129 EH Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397130 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CN3CCCC3)c1)O2 ZINC000587397287 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CN3CCCC3)c1)O2 ZINC000587397288 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1cc(N)ccc31)O2 ZINC000587397434 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1cc(N)ccc31)O2 ZINC000587397435 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnc[nH]1)(c1cccc(C)c1C)O2 ZINC000587397487 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnc[nH]1)(c1cccc(C)c1C)O2 ZINC000587397488 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)nc1)O2 ZINC000587397510 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)nc1)O2 ZINC000587397511 EH Annotated Anodyne CC(=O)c1c(C)[nH]c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587397588 EH Annotated Anodyne CC(=O)c1c(C)[nH]c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587397589 EH Annotated Anodyne CCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397790 EH Annotated Anodyne CCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397794 EH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)cc1OC ZINC000587397833 EH Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)cc1OC ZINC000587397834 EH Annotated Anodyne CCOC(=O)C[C@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397895 EH Annotated Anodyne C=CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O ZINC000587397896 EH Annotated Mild C=CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O ZINC000587397900 EH Annotated Mild CCOC(=O)C[C@@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397901 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ncc[nH]1)(C1CCCCC1)O2 ZINC000587398002 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ncc[nH]1)(C1CCCCC1)O2 ZINC000587398004 EH Annotated Anodyne CCOC(=O)[C@H]1CCCCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398182 EH Annotated Anodyne CCOC(=O)[C@@H]1CCCCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398183 EH Annotated Anodyne CCOC(=O)[C@H]1CCCCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398184 EH Annotated Anodyne CCOC(=O)[C@@H]1CCCCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398185 EH Annotated Anodyne COCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398190 EH Annotated Anodyne COCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398192 EH Annotated Anodyne CC[C@@]1(c2ccc(OC)cc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398196 EH Annotated Anodyne CC[C@]1(c2ccc(OC)cc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398199 EH Annotated Anodyne CCOC(=O)C[C@]1(CC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398254 EH Annotated Anodyne CCOC(=O)C[C@@]1(CC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398256 EH Annotated Anodyne COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587398313 EH Annotated Anodyne COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587398314 EH Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398318 EH Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398320 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN1CCCCCC1)O2 ZINC000587398434 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN1CCCCCC1)O2 ZINC000587398435 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C(=O)OC(C)(C)C)CC1)O2 ZINC000587398497 EH Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1OC ZINC000587398549 EH Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1OC ZINC000587398550 EH Annotated Anodyne C=CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398562 EH Annotated Mild C=CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398568 EH Annotated Mild COc1ccc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1O ZINC000587398603 EH Annotated Anodyne COc1ccc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1O ZINC000587398605 EH Annotated Anodyne CC[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398638 EH Annotated Anodyne CC[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398640 EH Annotated Anodyne CCOCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587398711 EH Annotated Anodyne CCOCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587398714 EH Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398719 EH Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398720 EH Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398722 EH Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398724 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3C1CCCC1)O2 ZINC000587398819 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(C)C)c(CO)c1)O2 ZINC000587398923 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(C)C)c(CO)c1)O2 ZINC000587398925 EH Annotated Anodyne COc1cc(C)c(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587399009 EH Annotated Anodyne COc1cc(C)c(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587399015 EH Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399061 EH Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399064 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1OC ZINC000587399077 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1OC ZINC000587399079 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCCCN1)O2 ZINC000587399249 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCCCN1)O2 ZINC000587399250 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1CCCCN1)O2 ZINC000587399251 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1CCCCN1)O2 ZINC000587399252 EH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399516 EH Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399518 EH Annotated Anodyne CCOC(=O)C[C@]1(CCC(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399562 EH Annotated Anodyne CCOC(=O)C[C@@]1(CCC(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399564 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)o1)O2 ZINC000587399655 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)o1)O2 ZINC000587399656 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1N1CCCCC1)O2 ZINC000587399663 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1N1CCCCC1)O2 ZINC000587399664 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1C ZINC000587399789 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1C ZINC000587399792 EH Annotated Anodyne COc1cc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587399827 EH Annotated Anodyne COc1cc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587399829 EH Annotated Anodyne COc1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587399910 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)COCc1ccccc1)O2 ZINC000587399912 EH Annotated Anodyne COc1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587399914 EH Annotated Anodyne CCc1cc(OC)c(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399916 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)COCc1ccccc1)O2 ZINC000587399919 EH Annotated Anodyne CCc1cc(OC)c(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399921 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)COCc1ccccc1)O2 ZINC000587399922 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C)COCc1ccccc1)O2 ZINC000587399925 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc3ccccc3c21 ZINC000587399945 EH Annotated Anodyne COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587399946 EH Annotated Anodyne COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587399947 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(OCC3CC3)c1)O2 ZINC000587399948 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(OCC3CC3)c1)O2 ZINC000587399949 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc3ccccc3c21 ZINC000587399952 EH Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400181 EH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400186 EH Annotated Anodyne CCOC(=O)[C@@H](CC)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400189 EH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400192 EH Annotated Anodyne COC(=O)CC[C@@]1(C)CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587400309 EH Annotated Anodyne COC(=O)CC[C@@]1(C)CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587400312 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@H]1N(Cc1ccccc1)C2 ZINC000587400483 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@H]1N(Cc1ccccc1)C2 ZINC000587400486 EH Annotated Anodyne COCCCc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400567 EH Annotated Anodyne COCCCc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400568 EH Annotated Anodyne CC[C@@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400678 EH Annotated Anodyne CC[C@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400679 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(COCc3ccccc3)C1)O2 ZINC000587400712 EH Annotated Anodyne CCOc1cc(OC)ccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400842 EH Annotated Anodyne CCOc1cc(OC)ccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400843 EH Annotated Anodyne CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CO ZINC000587400940 EH Annotated Anodyne COc1cc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587400943 EH Annotated Anodyne COc1cc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587400944 EH Annotated Anodyne CCOCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400953 EH Annotated Anodyne CCOCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400954 EH Annotated Anodyne CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CO ZINC000587400956 EH Annotated Anodyne CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587400998 EH Annotated Anodyne CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587401000 EH Annotated Anodyne COCc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587401022 EH Annotated Anodyne COCc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587401027 EH Annotated Anodyne COc1ccc([C@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401132 EH Annotated Anodyne COc1ccc([C@@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401137 EH Annotated Anodyne COc1ccc([C@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401139 EH Annotated Anodyne COc1ccc([C@@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401142 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCOCc1ccccc1)O2 ZINC000587401253 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCOCc1ccccc1)O2 ZINC000587401254 EH Annotated Anodyne COCCCOc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401302 EH Annotated Anodyne COCCCOc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401303 EH Annotated Anodyne COC(=O)CCCC[C@@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401336 EH Annotated Anodyne COC(=O)CCCC[C@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401337 EH Annotated Anodyne COC(=O)CCCC[C@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401338 EH Annotated Anodyne COC(=O)CCCC[C@@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401339 EH Annotated Anodyne CC[C@@]1(c2ccc(O)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401400 EH Annotated Anodyne CC[C@]1(c2ccc(O)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401401 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCOCc1ccccc1)O2 ZINC000587401488 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCOCc1ccccc1)O2 ZINC000587401490 EH Annotated Anodyne CCOc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587401699 EH Annotated Anodyne CCOc1ccc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587401700 EH Annotated Anodyne CCOC(=O)[C@H]1CC(C)(C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401729 EH Annotated Anodyne CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401730 EH Annotated Anodyne CCOC(=O)[C@H]1CC(C)(C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401731 EH Annotated Anodyne CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401733 EH Annotated Anodyne CCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587401748 EH Annotated Anodyne CCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587401750 EH Annotated Anodyne CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401764 EH Annotated Anodyne CCOC(=O)[C@H](C1CCCC1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401765 EH Annotated Anodyne CCOC(=O)[C@@H](C1CCCC1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401766 EH Annotated Anodyne CCOC(=O)[C@@H](C1CCCC1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401767 EH Annotated Anodyne CCOC(=O)C(CC)(CC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401801 EH Annotated Anodyne CCOC(=O)C(CC)(CC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401802 EH Annotated Anodyne C=CCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401809 EH Annotated Mild C=CCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401810 EH Annotated Mild COc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401864 EH Annotated Anodyne COc1ccc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401865 EH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C ZINC000587401868 EH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C ZINC000587401869 EH Annotated Anodyne CCOC(=O)c1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401887 EH Annotated Anodyne CCOC(=O)c1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401889 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)O2 ZINC000587401976 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)O2 ZINC000587401977 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)O2 ZINC000587401978 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)O2 ZINC000587401979 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1c(C)cccc1C)O2 ZINC000587401996 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1c(C)cccc1C)O2 ZINC000587401997 EH Annotated Anodyne CC(=O)Oc1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587402264 EH Annotated Anodyne CC(=O)Oc1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587402268 EH Annotated Anodyne COc1ccc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402311 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(C(C)C)cc21 ZINC000587402312 EH Annotated Anodyne COc1ccc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402313 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(C(C)C)cc21 ZINC000587402315 EH Annotated Anodyne CC(=O)Oc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587402453 EH Annotated Anodyne CC(=O)Oc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587402454 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@]3(C(=O)O)CC[C@@]1(C)C3(C)C)O2 ZINC000587403012 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@]3(C(=O)O)CC[C@@]1(C)C3(C)C)O2 ZINC000587403018 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)cc(O)c1O)O2 ZINC000587403063 EH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)cc(O)c1O)O2 ZINC000587403064 EH Annotated Clean COc1ccc(C[C@@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403251 EH Annotated Anodyne COc1ccc(C[C@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403254 EH Annotated Anodyne COc1ccc(C[C@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403256 EH Annotated Anodyne COc1ccc(C[C@@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403257 EH Annotated Anodyne CCOC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)oc1C ZINC000587403356 EH Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)oc1C ZINC000587403357 EH Annotated Anodyne COc1cccc(C[C@@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587403470 EH Annotated Anodyne COc1cccc(C[C@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587403471 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(O)c(C)c(C)c1O)O2 ZINC000587403560 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(O)c(C)c(C)c1O)O2 ZINC000587403565 EH Annotated Anodyne CCC(=O)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403661 EH Annotated Anodyne CCC(=O)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587403666 EH Annotated Anodyne CC[C@@]1(c2ccc(OC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403861 EH Annotated Anodyne CC[C@]1(c2ccc(OC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403862 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(C)(C)O)cc1)O2 ZINC000587404469 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(C)(C)O)cc1)O2 ZINC000587404470 EH Annotated Anodyne C=CCc1c(O)ccc2c1[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587405697 EH Annotated Mild C=CCc1c(O)ccc2c1[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587405703 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@]13C[C@@H]4C[C@@H](C[C@@](O)(C4)C1)C3)O2 ZINC000587405873 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@]13C[C@@H]4C[C@@H](C[C@@](O)(C4)C1)C3)O2 ZINC000587405882 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cc(C)c(CO)c1C)O2 ZINC000587405946 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cc(C)c(CO)c1C)O2 ZINC000587405954 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(O)(c3ccccc3)CC1)O2 ZINC000587405998 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C=O)(c1ccc3ccccc3c1)O2 ZINC000587406152 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C=O)(c1ccc3ccccc3c1)O2 ZINC000587406153 EH Annotated Mild CC[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406281 EH Annotated Anodyne CC[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406284 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)O)c(C)cc1C)O2 ZINC000587406332 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)O)c(C)cc1C)O2 ZINC000587406334 EH Annotated Anodyne CCc1ccc2occ([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(=O)c2c1 ZINC000587406358 EH Annotated Anodyne CCc1ccc2occ([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(=O)c2c1 ZINC000587406359 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)c1ccc3ccccc3c1)O2 ZINC000587406653 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)c1ccc3ccccc3c1)O2 ZINC000587406655 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)Cc1ccc3c(c1)OCO3)O2 ZINC000587406895 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)Cc1ccc3c(c1)OCO3)O2 ZINC000587406896 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C)Cc1ccc3c(c1)OCO3)O2 ZINC000587406897 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)Cc1ccc3c(c1)OCO3)O2 ZINC000587406898 EH Annotated Anodyne CC(C)=C1Oc2cc(O)ccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587406984 EH Annotated Anodyne CC(C)=C1Oc2cc(O)ccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587406986 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3ccc(C)cc3c1=O)O2 ZINC000587407352 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3ccc(C)cc3c1=O)O2 ZINC000587407356 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC3=CC(=O)CC[C@@]31C)O2 ZINC000587407396 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC3=CC(=O)CC[C@]31C)O2 ZINC000587407399 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC3=CC(=O)CC[C@@]31C)O2 ZINC000587407401 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC3=CC(=O)CC[C@]31C)O2 ZINC000587407404 EH Annotated Mild Cc1ccc([C@@]2(CSC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407703 EH Annotated Reactive Cc1ccc([C@]2(CSC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407704 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H]1CCOC1)(c1ccccc1)O2 ZINC000587407852 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1CCOC1)(c1ccccc1)O2 ZINC000587407854 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H]1CCOC1)(c1ccccc1)O2 ZINC000587407856 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H]1CCOC1)(c1ccccc1)O2 ZINC000587407858 EH Annotated Anodyne COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 ZINC000587407917 EH Annotated Anodyne COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 ZINC000587407919 EH Annotated Anodyne COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 ZINC000587407920 EH Annotated Anodyne COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 ZINC000587407921 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CC1)OCC(C)(C)CO3)O2 ZINC000587407992 EH Annotated Anodyne CC(=O)OCc1csc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587408292 EH Annotated Anodyne CC(=O)OCc1csc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587408293 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1nc(C)cc(C)n1)O2 ZINC000587408444 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1nc(C)cc(C)n1)O2 ZINC000587408447 EH Annotated Anodyne CC(=O)Sc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408802 EH Annotated Anodyne CC(=O)Sc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408805 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc3c(c1)OCO3)O2 ZINC000587408827 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc3c(c1)OCO3)O2 ZINC000587408828 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cc(C(=O)O)cc1C)O2 ZINC000587408992 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cc(C(=O)O)cc1C)O2 ZINC000587408993 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc[nH]n3)s1)O2 ZINC000587409045 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc[nH]n3)s1)O2 ZINC000587409048 EH Annotated Anodyne CSc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(SC)n1 ZINC000587409529 EH Annotated Anodyne CSc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(SC)n1 ZINC000587409530 EH Annotated Anodyne CCCSc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587409556 EH Annotated Anodyne CCCSc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587409558 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(C)s1)O2 ZINC000587409680 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(C)s1)O2 ZINC000587409684 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cnn(C)c3)s1)O2 ZINC000587409766 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cnn(C)c3)s1)O2 ZINC000587409768 EH Annotated Anodyne CC[C@@]1(c2ccc(C(=O)O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409830 EH Annotated Anodyne CC[C@]1(c2ccc(C(=O)O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409832 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(SCC(C)C)nc1)O2 ZINC000587409985 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(SCC(C)C)nc1)O2 ZINC000587409988 EH Annotated Anodyne CC[C@@H](C)Sc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587409994 EH Annotated Anodyne CC[C@@H](C)Sc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587409995 EH Annotated Anodyne CC[C@H](C)Sc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587409996 EH Annotated Anodyne CC[C@H](C)Sc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587409997 EH Annotated Anodyne CCOP(=O)(C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)OCC ZINC000587410028 EH Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1S ZINC000587410031 EH Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1S ZINC000587410032 EH Annotated Anodyne CCOP(=O)(C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)OCC ZINC000587410038 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-n3ccnc3)cs1)O2 ZINC000587410106 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-n3ccnc3)cs1)O2 ZINC000587410107 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2cccc3cccc1c23 ZINC000587410316 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2cccc3cccc1c23 ZINC000587410318 EH Annotated Anodyne CCCCSc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587410415 EH Annotated Anodyne CCCCSc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587410417 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(CN3CCCC3)cs1)O2 ZINC000587410500 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(CN3CCCC3)cs1)O2 ZINC000587410504 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)s1)([C@@H](C)O)O2 ZINC000587410532 EH Annotated Anodyne CC[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410577 EH Annotated Anodyne CC[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410578 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)s1)([C@H](C)O)O2 ZINC000587410711 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)s1)([C@@H](C)O)O2 ZINC000587410712 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)s1)([C@H](C)O)O2 ZINC000587410713 EH Annotated Anodyne CCOC(=O)c1ccsc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410747 EH Annotated Anodyne CCOC(=O)c1ccsc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410750 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3cc(O)ccc31)O2 ZINC000587410894 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3cc(O)ccc31)O2 ZINC000587410895 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3cccs3)CC1)O2 ZINC000587410950 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)s1)O2 ZINC000587410963 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1occc1Br)[C@@H](C2)C3=O ZINC000587410973 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1occc1Br)[C@@H](C2)C3=O ZINC000587410977 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)s1)O2 ZINC000587410980 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccs1)O2 ZINC000587410998 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccs1)O2 ZINC000587411008 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccs1)O2 ZINC000587411011 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cccs1)O2 ZINC000587411012 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccs3)nn1C)O2 ZINC000587411014 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccs3)nn1C)O2 ZINC000587411019 EH Annotated Anodyne CC(=O)SC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411118 EH Annotated Anodyne CC(=O)SC[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411120 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccs3)n(C)n1)O2 ZINC000587411188 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccs3)n(C)n1)O2 ZINC000587411189 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(C)o1)[C@@H](C2)C3=O ZINC000587411267 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ncc(C)s1)O2 ZINC000587411293 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ncc(C)s1)O2 ZINC000587411299 EH Annotated Anodyne CSc1ccc(C(=O)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411309 EH Annotated Anodyne CSc1ccc(C(=O)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411310 EH Annotated Anodyne COc1cc2c(c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@H](C)C2 ZINC000587411360 EH Annotated Anodyne COc1cc2c(c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@@H](C)C2 ZINC000587411362 EH Annotated Anodyne COc1cc2c(c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@@H](C)C2 ZINC000587411364 EH Annotated Anodyne COc1cc2c(c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@H](C)C2 ZINC000587411365 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(C)o1)[C@@H](C2)C3=O ZINC000587411496 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(Br)n1)O2 ZINC000587411504 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(Br)n1)O2 ZINC000587411505 EH Annotated Anodyne CC[C@]1(CCCBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587411580 EH Annotated Reactive CC[C@@]1(CCCBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587411581 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cccnc3)s1)O2 ZINC000587411659 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cccnc3)s1)O2 ZINC000587411665 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC1OCCO1)(C1CC1)O2 ZINC000587411754 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC1OCCO1)(C1CC1)O2 ZINC000587411756 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)s1)O2 ZINC000587411784 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)s1)O2 ZINC000587411785 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cccs3)nc1)O2 ZINC000587411992 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cccs3)nc1)O2 ZINC000587411995 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1csc(C(=O)CCl)c1)O2 ZINC000587412113 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1csc(C(=O)CCl)c1)O2 ZINC000587412116 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CN(C)C)cs1)O2 ZINC000587412133 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CN(C)C)cs1)O2 ZINC000587412136 EH Annotated Anodyne C=C1CC([C@@]2(C3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587412217 EH Annotated Mild C=C1CC([C@]2(C3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587412222 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3scc(C)n13)O2 ZINC000587412341 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3scc(C)n13)O2 ZINC000587412346 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587412408 EH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587412409 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CSCCc3ccccc31)O2 ZINC000587412438 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CSCCc3ccccc31)O2 ZINC000587412439 EH Annotated Anodyne CC(=O)c1csc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587412467 EH Annotated Reactive CC(=O)c1csc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587412468 EH Annotated Reactive C/C(=C\[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587412515 EH Annotated Anodyne C/C(=C/[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587412527 EH Annotated Anodyne C/C(=C/[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587412528 EH Annotated Anodyne C/C(=C\[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587412529 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1nccs1)O2 ZINC000587412540 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1nccs1)O2 ZINC000587412542 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)s1)O2 ZINC000587412555 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)s1)O2 ZINC000587412556 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1occc1Br)[C@@H](C2)C3=O ZINC000587412610 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1occc1Br)[C@@H](C2)C3=O ZINC000587412611 EH Annotated Anodyne CCN(CC)c1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587412653 EH Annotated Anodyne CCN(CC)c1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587412655 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc([C@@H]3CCCO3)s1)O2 ZINC000587412735 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc([C@H]3CCCO3)s1)O2 ZINC000587412736 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc([C@@H]3CCCO3)s1)O2 ZINC000587412737 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc([C@H]3CCCO3)s1)O2 ZINC000587412738 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1cccs1)O2 ZINC000587412743 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1cccs1)O2 ZINC000587412744 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3nc(O)sc3c1)O2 ZINC000587412877 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3nc(O)sc3c1)O2 ZINC000587412878 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccn3)s1)O2 ZINC000587413018 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccn3)s1)O2 ZINC000587413019 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(c1cccs1)O2 ZINC000587413115 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(c1cccs1)O2 ZINC000587413117 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)COC(C)(C)O3)O2 ZINC000587413172 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)COC(C)(C)O3)O2 ZINC000587413176 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3ccc(O)cc31)O2 ZINC000587413202 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3ccc(O)cc31)O2 ZINC000587413203 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc3cccnc3s1)O2 ZINC000587413213 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc3cccnc3s1)O2 ZINC000587413216 EH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ncnc(Cl)c3s1)O2 ZINC000587413334 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ncnc(Cl)c3s1)O2 ZINC000587413335 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(N)sc3c1CCC3)O2 ZINC000587413365 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCCCC3)s1)O2 ZINC000587413425 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCCCC3)s1)O2 ZINC000587413426 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1ncc(C)s1)O2 ZINC000587413469 EH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1ncc(C)s1)O2 ZINC000587413470 EH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(N)sc3c1CCC3)O2 ZINC000587413557 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3nc(Cl)sc3C1)O2 ZINC000587413572 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3nc(Cl)sc3C1)O2 ZINC000587413575 EH Annotated Anodyne CCc1nc2c(s1)[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413584 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413585 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413586 EH Annotated Anodyne CCc1nc2c(s1)[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413588 EH Annotated Anodyne C=CCC[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413701 EH Annotated Reactive C=CCC[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413706 EH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc3sccn13)O2 ZINC000587413749 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc3sccn13)O2 ZINC000587413750 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Br)[C@@H](C2)C3=O ZINC000587413778 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1Br)[C@@H](C2)C3=O ZINC000587413779 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1nccs1)O2 ZINC000587413866 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1nccs1)O2 ZINC000587413867 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccsc1)O2 ZINC000587413876 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccsc1)O2 ZINC000587413877 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1nc(C)cs1)O2 ZINC000587413913 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1nc(C)cs1)O2 ZINC000587413916 EH Annotated Anodyne C/C(=C\[C@@]1(c2ccsc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587413925 EH Annotated Anodyne C/C(=C/[C@@]1(c2ccsc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587413926 EH Annotated Anodyne C/C(=C/[C@]1(c2ccsc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587413928 EH Annotated Anodyne C/C(=C\[C@]1(c2ccsc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587413929 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccco1)(c1ccco1)O2 ZINC000587413953 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccco1)(c1ccco1)O2 ZINC000587413954 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C3CC3)nc3sccn13)O2 ZINC000587414156 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C3CC3)nc3sccn13)O2 ZINC000587414157 EH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCS2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414158 EH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCS2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414159 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3sc(C)cn13)O2 ZINC000587414614 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3sc(C)cn13)O2 ZINC000587414616 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3c(s1)CCCC3)O2 ZINC000587414621 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3c(s1)CCCC3)O2 ZINC000587414622 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)C[C@@H](C)CC3)O2 ZINC000587414646 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)C[C@H](C)CC3)O2 ZINC000587414647 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)C[C@H](C)CC3)O2 ZINC000587414649 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)C[C@@H](C)CC3)O2 ZINC000587414650 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Br)cs1)O2 ZINC000587414713 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Br)cs1)O2 ZINC000587414714 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1cccs1)O2 ZINC000587414744 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1cccs1)O2 ZINC000587414746 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccncc3)s1)O2 ZINC000587414797 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccncc3)s1)O2 ZINC000587414798 EH Annotated Anodyne CCOc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414994 EH Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414995 EH Annotated Anodyne COc1ccc2c(c1)OCCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415012 EH Annotated Anodyne COc1ccc2c(c1)OCCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415013 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)o3)o1)O2 ZINC000587415018 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)o3)o1)O2 ZINC000587415019 EH Annotated Anodyne COc1cc(C)cc2c1OCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415088 EH Annotated Anodyne COc1cc(C)cc2c1OCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415089 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC12CCOCC2 ZINC000587415243 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc3cnc(Cl)nc13)O2 ZINC000587415253 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC12CCOCC2 ZINC000587415254 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc3cnc(Cl)nc13)O2 ZINC000587415255 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1CCOCC1)O2 ZINC000587415299 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1CCOCC1)O2 ZINC000587415300 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cccs1)O2 ZINC000587415379 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cccs1)O2 ZINC000587415380 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c(C(=O)O)csc31)O2 ZINC000587415468 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c(C(=O)O)csc31)O2 ZINC000587415469 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)NCCS3)O2 ZINC000587415604 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)NCCS3)O2 ZINC000587415605 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)nc3sccn13)O2 ZINC000587415827 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)nc3sccn13)O2 ZINC000587415828 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc3scc(C)n13)O2 ZINC000587415979 EH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc3scc(C)n13)O2 ZINC000587415981 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416386 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416387 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(Cc1ccccc1)[C@@H](C2)C3=O ZINC000587416618 EH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(Cc1ccccc1)[C@@H](C2)C3=O ZINC000587416620 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)Cl)cc1)[C@@H](C2)C3=O ZINC000587416621 EH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)Cl)cc1)[C@@H](C2)C3=O ZINC000587416622 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)o1)[C@@H](C2)C3=O ZINC000587416700 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)o1)[C@@H](C2)C3=O ZINC000587416701 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)[nH]c1C)[C@@H](C2)C3=O ZINC000587416768 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)[nH]c1C)[C@@H](C2)C3=O ZINC000587416769 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H]([C@](C)(Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587416774 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@](C)(Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587416775 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@](C)(Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587416776 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@](C)(Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587416777 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587416855 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587416856 EH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)co1)[C@@H](C2)C3=O ZINC000587416861 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)co1)[C@@H](C2)C3=O ZINC000587416862 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)o1)[C@@H](C2)C3=O ZINC000587416899 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)o1)[C@@H](C2)C3=O ZINC000587416903 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccoc1Br)[C@@H](C2)C3=O ZINC000587416968 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccoc1Br)[C@@H](C2)C3=O ZINC000587416969 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417033 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417035 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(C#N)c1)[C@@H](C2)C3=O ZINC000587417190 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(C#N)c1)[C@@H](C2)C3=O ZINC000587417191 EH Annotated Mild COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1Br)[C@@H](C2)C3=O ZINC000587417216 EH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1Br)[C@@H](C2)C3=O ZINC000587417218 EH Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1Br)[C@@H](C2)C3=O ZINC000587417220 EH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1Br)[C@@H](C2)C3=O ZINC000587417222 EH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OC)[C@@H](C2)C3=O ZINC000587417230 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OC)[C@@H](C2)C3=O ZINC000587417234 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(C)c1O)[C@@H](C2)C3=O ZINC000587417252 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(C)c1O)[C@@H](C2)C3=O ZINC000587417255 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4nccc-4cc1Cl)[C@@H](C2)C3=O ZINC000587417284 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c4nccc-4cc1Cl)[C@@H](C2)C3=O ZINC000587417285 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417594 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417595 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc([N+](=O)[O-])c1Cl)[C@@H](C2)C3=O ZINC000587417610 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1Cl)[C@@H](C2)C3=O ZINC000587417611 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587417644 EH Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587417645 EH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc(C#N)c1Cl)[C@@H](C2)C3=O ZINC000587417650 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cccc(C#N)c1Cl)[C@@H](C2)C3=O ZINC000587417651 EH Annotated Mild COc1cc2c3c(c1)O[C@](C(C)=O)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417672 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(C)=O)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417673 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)cc1Cl)[C@@H](C2)C3=O ZINC000587417925 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)cc1Cl)[C@@H](C2)C3=O ZINC000587417934 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C(=O)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417937 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C(=O)c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417938 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)cc1Cl)[C@@H](C2)C3=O ZINC000587417979 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)cc1Cl)[C@@H](C2)C3=O ZINC000587417980 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N)cc1Cl)[C@@H](C2)C3=O ZINC000587418043 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N)cc1Cl)[C@@H](C2)C3=O ZINC000587418047 EH Annotated Anodyne COc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418064 EH Annotated Reactive COc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587418065 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccnc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587418118 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587418120 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587418140 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587418149 EH Annotated Anodyne COC[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418329 EH Annotated Anodyne COC[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418331 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587418366 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587418371 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(Cc4cccc(Cl)c4C1)[C@@H](C2)C3=O ZINC000587418447 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(Cc4cccc(Cl)c4C1)[C@@H](C2)C3=O ZINC000587418457 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4nccc(Cl)c14)[C@@H](C2)C3=O ZINC000587418460 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4nccc(Cl)c14)[C@@H](C2)C3=O ZINC000587418472 EH Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587418498 EH Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587418499 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4nccc-4c1Cl)[C@@H](C2)C3=O ZINC000587418542 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4nccc-4c1Cl)[C@@H](C2)C3=O ZINC000587418544 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O ZINC000587418549 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O ZINC000587418552 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587418652 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCCl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587418654 EH Annotated Reactive COc1cc2c3c(c1)OC1(CCC(Br)CC1)[C@@H](C2)C3=O ZINC000587418722 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1OC)[C@@H](C2)C3=O ZINC000587418776 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1OC)[C@@H](C2)C3=O ZINC000587418778 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC)cc1O)[C@@H](C2)C3=O ZINC000587418945 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)cc1O)[C@@H](C2)C3=O ZINC000587418949 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)cc1N)[C@@H](C2)C3=O ZINC000587419072 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)cc1N)[C@@H](C2)C3=O ZINC000587419076 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C(=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419105 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C(=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419109 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O ZINC000587419111 EH Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O ZINC000587419113 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587419214 EH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587419217 EH Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587419280 EH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587419284 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587419288 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587419290 EH Annotated Reactive COc1cc2c3c(c1)O[C@](CC#N)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587419343 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587419353 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1C(=O)O)[C@@H](C2)C3=O ZINC000587419355 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1C(=O)O)[C@@H](C2)C3=O ZINC000587419357 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C2)C3=O ZINC000587419373 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C2)C3=O ZINC000587419375 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)O)c1Cl)[C@@H](C2)C3=O ZINC000587419387 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)O)c1Cl)[C@@H](C2)C3=O ZINC000587419395 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587419483 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587419485 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(C)cc1O)[C@@H](C2)C3=O ZINC000587419529 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(C)cc1O)[C@@H](C2)C3=O ZINC000587419533 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419649 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419650 EH Annotated Anodyne COc1cc(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587419824 EH Annotated Anodyne COc1cc(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587419825 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(CCl)ccc1O)[C@@H](C2)C3=O ZINC000587420194 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(CCl)ccc1O)[C@@H](C2)C3=O ZINC000587420202 EH Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(CCl)c1)[C@@H](C2)C3=O ZINC000587420204 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(CCl)c1)[C@@H](C2)C3=O ZINC000587420214 EH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc4c1OCC4)[C@@H](C2)C3=O ZINC000587420225 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc4c1OCC4)[C@@H](C2)C3=O ZINC000587420231 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420236 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420237 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCNc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587420255 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCNc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587420262 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)cc1Cl)[C@@H](C2)C3=O ZINC000587420270 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)cc1Cl)[C@@H](C2)C3=O ZINC000587420272 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O ZINC000587420287 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O ZINC000587420289 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C[C@H]1Cl)[C@@H](C2)C3=O ZINC000587420317 EH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587420320 EH Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587420321 EH Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C[C@H]1Cl)[C@@H](C2)C3=O ZINC000587420322 EH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](F)C#N)[C@@H](C2)C3=O ZINC000587420390 EH Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](F)C#N)[C@@H](C2)C3=O ZINC000587420392 EH Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](F)C#N)[C@@H](C2)C3=O ZINC000587420393 EH Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](F)C#N)[C@@H](C2)C3=O ZINC000587420394 EH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420424 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587420426 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1Cl)[C@@H](C2)C3=O ZINC000587420535 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1Cl)[C@@H](C2)C3=O ZINC000587420544 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4ncc(Cl)cc14)[C@@H](C2)C3=O ZINC000587420610 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ncc(Cl)cc14)[C@@H](C2)C3=O ZINC000587420614 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(Cl)cnc4o1)[C@@H](C2)C3=O ZINC000587420736 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4nc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587420746 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(Cl)cnc4o1)[C@@H](C2)C3=O ZINC000587420749 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4nc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587420751 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)([C@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O ZINC000587420757 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O ZINC000587420762 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O ZINC000587420766 EH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O ZINC000587420770 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc4[nH]nc(Cl)c4c1)[C@@H](C2)C3=O ZINC000587420816 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4[nH]nc(Cl)c4c1)[C@@H](C2)C3=O ZINC000587420820 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccn1)[C@@H](C2)C3=O ZINC000587420849 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccn1)[C@@H](C2)C3=O ZINC000587420853 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cnc1Cl)[C@@H](C2)C3=O ZINC000587420894 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)cnc1Cl)[C@@H](C2)C3=O ZINC000587420896 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(Cl)ncc14)[C@@H](C2)C3=O ZINC000587420899 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(Cl)ncc14)[C@@H](C2)C3=O ZINC000587420903 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](Cl)(C5)C4)[C@@H](C2)C3=O ZINC000587420915 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](Cl)(C5)C4)[C@@H](C2)C3=O ZINC000587420935 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)c(N)c1)[C@@H](C2)C3=O ZINC000587420968 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(N)c1)[C@@H](C2)C3=O ZINC000587420970 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(C(F)(F)F)cs1)[C@@H](C2)C3=O ZINC000587420977 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Cl)c1C#N)[C@@H](C2)C3=O ZINC000587420981 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cccc(Cl)c1C#N)[C@@H](C2)C3=O ZINC000587420982 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1nc(C(F)(F)F)cs1)[C@@H](C2)C3=O ZINC000587420985 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)O)cc1Cl)[C@@H](C2)C3=O ZINC000587421001 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)O)cc1Cl)[C@@H](C2)C3=O ZINC000587421003 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(OC)c1O)[C@@H](C2)C3=O ZINC000587421172 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(OC)c1O)[C@@H](C2)C3=O ZINC000587421175 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccnc1Cl)[C@@H](C2)C3=O ZINC000587421193 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccnc1Cl)[C@@H](C2)C3=O ZINC000587421195 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCC(F)F)c1)[C@@H](C2)C3=O ZINC000587421251 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(F)F)c1)[C@@H](C2)C3=O ZINC000587421264 EH Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587421272 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OC(F)F)[C@@H](C2)C3=O ZINC000587421351 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OC(F)F)[C@@H](C2)C3=O ZINC000587421355 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C#N)ccc1Cl)[C@@H](C2)C3=O ZINC000587421449 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(C#N)ccc1Cl)[C@@H](C2)C3=O ZINC000587421451 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1Cl)[C@@H](C2)C3=O ZINC000587421453 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1Cl)[C@@H](C2)C3=O ZINC000587421455 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421457 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421460 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cl)c1O)[C@@H](C2)C3=O ZINC000587421527 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cl)c1O)[C@@H](C2)C3=O ZINC000587421529 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Cl)c1OC)[C@@H](C2)C3=O ZINC000587421530 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Cl)c1OC)[C@@H](C2)C3=O ZINC000587421531 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccnc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421541 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccnc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421543 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ncc1Cl)[C@@H](C2)C3=O ZINC000587421576 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ncc1Cl)[C@@H](C2)C3=O ZINC000587421578 EH Annotated Anodyne CC[C@@]1(c2ccnc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421579 EH Annotated Anodyne CC[C@]1(c2ccnc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421583 EH Annotated Anodyne CC[C@@]1(C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421585 EH Annotated Anodyne CC[C@]1(C(F)(F)C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421589 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4CC[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587421591 EH Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4CC[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587421594 EH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4CC[C@H]1Cl)[C@@H](C2)C3=O ZINC000587421596 EH Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4CC[C@H]1Cl)[C@@H](C2)C3=O ZINC000587421598 EH Annotated Reactive CCCn1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421608 EH Annotated Anodyne CCCn1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421611 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421655 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421656 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421703 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ncccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421704 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)=O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421732 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(C)=O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421733 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(Cl)nc41)[C@@H](C2)C3=O ZINC000587421735 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421737 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4ccc(Cl)nc41)[C@@H](C2)C3=O ZINC000587421739 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587421746 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421749 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587421753 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(Cc4ccc(Cl)cc4C1)[C@@H](C2)C3=O ZINC000587421763 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(Cc4ccc(Cl)cc4C1)[C@@H](C2)C3=O ZINC000587421766 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)nc1C)[C@@H](C2)C3=O ZINC000587421777 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)nc1C)[C@@H](C2)C3=O ZINC000587421780 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)nc(Cl)c1)[C@@H](C2)C3=O ZINC000587421850 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)nc(Cl)c1)[C@@H](C2)C3=O ZINC000587421853 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cncc1Cl)[C@@H](C2)C3=O ZINC000587421864 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cncc1Cl)[C@@H](C2)C3=O ZINC000587421866 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(C)cc1F)[C@@H](C2)C3=O ZINC000587421909 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(C)cc1F)[C@@H](C2)C3=O ZINC000587421924 EH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O ZINC000587421981 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O ZINC000587421983 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(F)c1O)[C@@H](C2)C3=O ZINC000587422012 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(F)c1O)[C@@H](C2)C3=O ZINC000587422013 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587422026 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587422031 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422040 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422045 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nccc(Cl)c1C)[C@@H](C2)C3=O ZINC000587422058 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nccc(Cl)c1C)[C@@H](C2)C3=O ZINC000587422061 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](C#N)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422091 EH Annotated Mild COc1cc2c3c(c1)O[C@H]([C@H](C#N)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422094 EH Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@H](C#N)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422096 EH Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@@H](C#N)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422098 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c(OC)c1)[C@@H](C2)C3=O ZINC000587422107 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(OC)c1)[C@@H](C2)C3=O ZINC000587422108 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587422178 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587422180 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cccc(OC(F)F)c1)[C@@H](C2)C3=O ZINC000587422256 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC(F)F)c1)[C@@H](C2)C3=O ZINC000587422258 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(COCc4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587422343 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COCc4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587422352 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1OC)[C@@H](C2)C3=O ZINC000587422357 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1OC)[C@@H](C2)C3=O ZINC000587422359 EH Annotated Anodyne CCCCc1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)[nH]1 ZINC000587422440 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587422441 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587422442 EH Annotated Anodyne CCCCc1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)[nH]1 ZINC000587422444 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422474 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422477 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(F)c1OC)[C@@H](C2)C3=O ZINC000587422479 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(F)c1OC)[C@@H](C2)C3=O ZINC000587422483 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587422615 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587422616 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587422618 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587422620 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1N(C)C)[C@@H](C2)C3=O ZINC000587422622 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1N(C)C)[C@@H](C2)C3=O ZINC000587422625 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587422710 EH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587422713 EH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)c(F)c1F)[C@@H](C2)C3=O ZINC000587422804 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C)c(F)c1F)[C@@H](C2)C3=O ZINC000587422809 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4nc(Cl)ccc14)[C@@H](C2)C3=O ZINC000587422829 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4nc(Cl)ccc14)[C@@H](C2)C3=O ZINC000587422830 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)c(F)cc(F)c1F)[C@@H](C2)C3=O ZINC000587422895 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)c(F)cc(F)c1F)[C@@H](C2)C3=O ZINC000587422900 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C#N)c1Cl)[C@@H](C2)C3=O ZINC000587422951 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C#N)c1Cl)[C@@H](C2)C3=O ZINC000587422952 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ncc(Cl)cc1C)[C@@H](C2)C3=O ZINC000587423009 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncc(Cl)cc1C)[C@@H](C2)C3=O ZINC000587423010 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)c(N)cc41)[C@@H](C2)C3=O ZINC000587423016 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)c(N)cc41)[C@@H](C2)C3=O ZINC000587423023 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(F)cc1F)[C@@H](C2)C3=O ZINC000587423034 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(F)cc1F)[C@@H](C2)C3=O ZINC000587423035 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)c[nH]c4nccc1-4)[C@@H](C2)C3=O ZINC000587423074 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)c[nH]c4nccc1-4)[C@@H](C2)C3=O ZINC000587423076 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(F)(F)F)n1)[C@@H](C2)C3=O ZINC000587423089 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(F)(F)F)n1)[C@@H](C2)C3=O ZINC000587423091 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(O)c1Cl)[C@@H](C2)C3=O ZINC000587423160 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(O)c1Cl)[C@@H](C2)C3=O ZINC000587423162 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O ZINC000587423220 EH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O ZINC000587423222 EH Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccnc(C(F)F)c1)[C@@H](C2)C3=O ZINC000587423243 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccnc(C(F)F)c1)[C@@H](C2)C3=O ZINC000587423247 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(F)F)cc1)[C@@H](C2)C3=O ZINC000587423251 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(F)F)cc1)[C@@H](C2)C3=O ZINC000587423252 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587423308 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587423309 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(Cl)c(C)c1)[C@@H](C2)C3=O ZINC000587423395 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(Cl)c(C)c1)[C@@H](C2)C3=O ZINC000587423396 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4c1OC(F)(F)O4)[C@@H](C2)C3=O ZINC000587423446 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4c1OC(F)(F)O4)[C@@H](C2)C3=O ZINC000587423447 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cc(Cl)cc1OC)[C@@H](C2)C3=O ZINC000587423448 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cc(Cl)cc1OC)[C@@H](C2)C3=O ZINC000587423449 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587423458 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587423459 EH Annotated Anodyne CC[C@@]1(c2cc(F)c(O)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423464 EH Annotated Anodyne CC[C@]1(c2cc(F)c(O)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423465 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423477 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423479 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587423482 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587423484 EH Annotated Anodyne CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1F ZINC000587423490 EH Annotated Anodyne CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1F ZINC000587423492 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4ncc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423568 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4ncc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423569 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587423599 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587423600 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(F)F)[C@@H](C2)C3=O ZINC000587423609 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(F)F)[C@@H](C2)C3=O ZINC000587423610 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423628 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423629 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)cn1)[C@@H](C2)C3=O ZINC000587423670 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)cn1)[C@@H](C2)C3=O ZINC000587423675 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CCl)c1)[C@@H](C2)C3=O ZINC000587423700 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CCl)c1)[C@@H](C2)C3=O ZINC000587423703 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(C(F)F)[C@@H](C2)C3=O ZINC000587423731 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(C(F)F)[C@@H](C2)C3=O ZINC000587423733 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cnc1Cl)[C@@H](C2)C3=O ZINC000587423767 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cnc1Cl)[C@@H](C2)C3=O ZINC000587423769 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCCl)cc1)[C@@H](C2)C3=O ZINC000587423865 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCl)cc1)[C@@H](C2)C3=O ZINC000587423870 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccnc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423875 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccnc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423876 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587423887 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587423889 EH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587423919 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587423920 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)cc1F)[C@@H](C2)C3=O ZINC000587423933 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)cc1F)[C@@H](C2)C3=O ZINC000587423934 EH Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F ZINC000587423961 EH Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F ZINC000587423962 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cn1)[C@@H](C2)C3=O ZINC000587424053 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cn1)[C@@H](C2)C3=O ZINC000587424055 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cc1Cl)OCO4)[C@@H](C2)C3=O ZINC000587424092 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1Cl)OCO4)[C@@H](C2)C3=O ZINC000587424094 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(C)C)nn(C)c1Cl)[C@@H](C2)C3=O ZINC000587424134 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(C)C)nn(C)c1Cl)[C@@H](C2)C3=O ZINC000587424139 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H](C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587424150 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H](C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587424151 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587424152 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H](C(F)(F)F)C1)[C@@H](C2)C3=O ZINC000587424153 EH Annotated Anodyne CC[C@]1(c2ccc(Cl)c(N)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424161 EH Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(N)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424164 EH Annotated Anodyne COc1cc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587424206 EH Annotated Anodyne COc1cc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587424207 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C#N)cc1Cl)[C@@H](C2)C3=O ZINC000587424232 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(C#N)cc1Cl)[C@@H](C2)C3=O ZINC000587424238 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587424343 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587424346 EH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(Cl)c4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587424353 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587424357 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587424390 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587424393 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cccc(F)c1C)[C@@H](C2)C3=O ZINC000587424439 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1cccc(F)c1C)[C@@H](C2)C3=O ZINC000587424442 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587424469 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587424472 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cccc(F)c1OC)[C@@H](C2)C3=O ZINC000587424476 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1cccc(F)c1OC)[C@@H](C2)C3=O ZINC000587424482 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O ZINC000587424518 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424520 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424521 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)OC(F)(F)O4)[C@@H](C2)C3=O ZINC000587424526 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)OC(F)(F)O4)[C@@H](C2)C3=O ZINC000587424527 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O ZINC000587424528 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)nc1C)[C@@H](C2)C3=O ZINC000587424551 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)nc1C)[C@@H](C2)C3=O ZINC000587424555 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587424681 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587424682 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424717 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424718 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCF)cc1)[C@@H](C2)C3=O ZINC000587424733 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCF)cc1)[C@@H](C2)C3=O ZINC000587424734 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)cc(F)c1F)[C@@H](C2)C3=O ZINC000587424757 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)cc(F)c1F)[C@@H](C2)C3=O ZINC000587424758 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCF)cc1)[C@@H](C2)C3=O ZINC000587424829 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCF)cc1)[C@@H](C2)C3=O ZINC000587424830 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCF)cc1)[C@@H](C2)C3=O ZINC000587424849 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCCF)cc1)[C@@H](C2)C3=O ZINC000587424850 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1OC)[C@@H](C2)C3=O ZINC000587424901 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1OC)[C@@H](C2)C3=O ZINC000587424902 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(F)cc(F)cc1F)[C@@H](C2)C3=O ZINC000587424903 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)cc(F)cc1F)[C@@H](C2)C3=O ZINC000587424904 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(F)c(F)c1)[C@@H](C2)C3=O ZINC000587424955 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(F)c(F)c1)[C@@H](C2)C3=O ZINC000587424956 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587424973 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587424974 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCCF)c1)[C@@H](C2)C3=O ZINC000587425003 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCCF)c1)[C@@H](C2)C3=O ZINC000587425004 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587425009 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O ZINC000587425010 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)ccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587425329 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)ccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587425330 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1cccc(C)c1F)[C@@H](C2)C3=O ZINC000587425490 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cccc(C)c1F)[C@@H](C2)C3=O ZINC000587425493 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ncc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587425579 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587425580 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc(Cl)c1O)[C@@H](C2)C3=O ZINC000587425603 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(Cl)c1O)[C@@H](C2)C3=O ZINC000587425604 EH Annotated Anodyne CC[C@]1(c2ccc(O)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425690 EH Annotated Anodyne CC[C@@]1(c2ccc(O)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425691 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(C)c(F)c1)[C@@H](C2)C3=O ZINC000587425927 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(C)c(F)c1)[C@@H](C2)C3=O ZINC000587425928 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1cc(OC)ccc1F)[C@@H](C2)C3=O ZINC000587425945 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)ccc1F)[C@@H](C2)C3=O ZINC000587425946 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC)c1F)[C@@H](C2)C3=O ZINC000587425961 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OC)c1F)[C@@H](C2)C3=O ZINC000587425962 EH Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587425965 EH Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587425966 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587425997 EH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587425998 EH Annotated Mild COc1cc2c3c(c1)O[C@](Cc1ccccc1F)(C1CC1)[C@@H](C2)C3=O ZINC000587426148 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1F)(C1CC1)[C@@H](C2)C3=O ZINC000587426149 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1OC)[C@@H](C2)C3=O ZINC000587426176 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1OC)[C@@H](C2)C3=O ZINC000587426177 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cc(F)cc(F)c1)[C@@H](C2)C3=O ZINC000587426240 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(F)cc(F)c1)[C@@H](C2)C3=O ZINC000587426241 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(F)cc4cccnc14)[C@@H](C2)C3=O ZINC000587426308 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc4cccnc14)[C@@H](C2)C3=O ZINC000587426313 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587426356 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587426357 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C)C#N)(c1ccccc1)[C@@H](C2)C3=O ZINC000587426360 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C[C@H](C)C#N)(c1ccccc1)[C@@H](C2)C3=O ZINC000587426361 EH Annotated Mild COc1cc2c3c(c1)O[C@](C[C@H](C)C#N)(c1ccccc1)[C@@H](C2)C3=O ZINC000587426362 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C[C@@H](C)C#N)(c1ccccc1)[C@@H](C2)C3=O ZINC000587426363 EH Annotated Mild COc1cc2c3c(c1)O[C@@]1(CSCc4c(F)cccc41)[C@@H](C2)C3=O ZINC000587426366 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CSCc4c(F)cccc41)[C@@H](C2)C3=O ZINC000587426367 EH Annotated Anodyne CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587426398 EH Annotated Anodyne CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587426399 EH Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587426400 EH Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587426401 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1ccccc1F)[C@@H](C2)C3=O ZINC000587426430 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1ccccc1F)[C@@H](C2)C3=O ZINC000587426431 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587426445 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587426446 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587426471 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587426472 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1OC)[C@@H](C2)C3=O ZINC000587426506 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1OC)[C@@H](C2)C3=O ZINC000587426507 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cc(F)ccc4n1)[C@@H](C2)C3=O ZINC000587426624 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cc(F)ccc4n1)[C@@H](C2)C3=O ZINC000587426626 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(F)ccc(F)c41)[C@@H](C2)C3=O ZINC000587426716 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(F)ccc(F)c41)[C@@H](C2)C3=O ZINC000587426721 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4cc(C#N)ccc41)[C@@H](C2)C3=O ZINC000587426811 EH Annotated Mild COc1cc2c3c(c1)O[C@]1(CCCc4cc(C#N)ccc41)[C@@H](C2)C3=O ZINC000587426814 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(F)c1F)[C@@H](C2)C3=O ZINC000587426846 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(F)c1F)[C@@H](C2)C3=O ZINC000587426848 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C ZINC000587426880 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587426938 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587426939 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCCc4cc(N)ccc41)[C@@H](C2)C3=O ZINC000587426947 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCCc4cc(N)ccc41)[C@@H](C2)C3=O ZINC000587426948 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(F)c(F)cc41)[C@@H](C2)C3=O ZINC000587427049 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)c(F)cc41)[C@@H](C2)C3=O ZINC000587427050 EH Annotated Anodyne CCOc1ccc(F)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427081 EH Annotated Anodyne CCOc1ccc(F)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427082 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](N=O)[C@H]4CC[C@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587427116 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000587427119 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C ZINC000587427121 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](N=O)[C@@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587427124 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](N=O)[C@@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587427127 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000587427131 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](N=O)[C@H]4CC[C@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587427135 EH Annotated Anodyne CCN(C)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587427138 EH Annotated Anodyne CCN(C)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587427141 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(C)c1F)[C@@H](C2)C3=O ZINC000587427196 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(C)c1F)[C@@H](C2)C3=O ZINC000587427199 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1cccc(OC)c1F)[C@@H](C2)C3=O ZINC000587427232 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cccc(OC)c1F)[C@@H](C2)C3=O ZINC000587427234 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc(OC)c1F)[C@@H](C2)C3=O ZINC000587427368 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc(OC)c1F)[C@@H](C2)C3=O ZINC000587427369 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(C)cc1C)[C@@H](C2)C3=O ZINC000587427545 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(C)cc1C)[C@@H](C2)C3=O ZINC000587427548 EH Annotated Mild CCc1ccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587427575 EH Annotated Mild CCc1ccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587427579 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(CCc1cccc(F)c1)[C@@H](C2)C3=O ZINC000587427628 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1cccc(F)c1)[C@@H](C2)C3=O ZINC000587427630 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc([C@@H](C)N(C)C)c1)[C@@H](C2)C3=O ZINC000587427645 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc([C@@H](C)N(C)C)c1)[C@@H](C2)C3=O ZINC000587427646 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc([C@H](C)N(C)C)c1)[C@@H](C2)C3=O ZINC000587427647 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc([C@H](C)N(C)C)c1)[C@@H](C2)C3=O ZINC000587427648 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](Cc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587427657 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c4cccnc14)[C@@H](C2)C3=O ZINC000587427672 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c4cccnc14)[C@@H](C2)C3=O ZINC000587427673 EH Annotated Anodyne CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587427732 EH Annotated Anodyne CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587427734 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1N(C)C)[C@@H](C2)C3=O ZINC000587427779 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1N(C)C)[C@@H](C2)C3=O ZINC000587427781 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(COc1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587427846 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(COc1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587427849 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587427864 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587427867 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCCCC#N)c1)[C@@H](C2)C3=O ZINC000587427872 EH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587427873 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587427874 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cccc(OCCCC#N)c1)[C@@H](C2)C3=O ZINC000587427875 EH Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587427892 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCSc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587427893 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](Cc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587427906 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(Cc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427927 EH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(Cc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427929 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427934 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427935 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587428137 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587428139 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C#N)c1ccccc1F)[C@@H](C2)C3=O ZINC000587428160 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(N(C)CCC#N)cc1)[C@@H](C2)C3=O ZINC000587428161 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)CCC#N)cc1)[C@@H](C2)C3=O ZINC000587428162 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H](C#N)c1ccccc1F)[C@@H](C2)C3=O ZINC000587428163 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C#N)c1ccccc1F)[C@@H](C2)C3=O ZINC000587428165 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C#N)c1ccccc1F)[C@@H](C2)C3=O ZINC000587428166 EH Annotated Mild COc1cc2c3c(c1)O[C@]1(CCCCc4cc(C#N)ccc41)[C@@H](C2)C3=O ZINC000587428230 EH Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCCCc4cc(C#N)ccc41)[C@@H](C2)C3=O ZINC000587428232 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CCl)(Cc1ccccc1F)[C@@H](C2)C3=O ZINC000587428240 EH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(Cc1ccccc1F)[C@@H](C2)C3=O ZINC000587428242 EH Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](C#N)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428365 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C#N)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428366 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@H](C#N)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428367 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C#N)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428368 EH Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(F)cn1)(C(C)C)[C@@H](C2)C3=O ZINC000587428392 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cn1)(C(C)C)[C@@H](C2)C3=O ZINC000587428394 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4cc(F)ccc4s1)[C@@H](C2)C3=O ZINC000587428395 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4cc(F)ccc4s1)[C@@H](C2)C3=O ZINC000587428397 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4ccc(F)cc14)[C@@H](C2)C3=O ZINC000587428448 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)c4ccc(F)cc14)[C@@H](C2)C3=O ZINC000587428452 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)cc(F)c41)[C@@H](C2)C3=O ZINC000587428478 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(F)cc(F)c41)[C@@H](C2)C3=O ZINC000587428481 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cccc(C)c1C)[C@@H](C2)C3=O ZINC000587428490 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1cccc(C)c1C)[C@@H](C2)C3=O ZINC000587428493 EH Annotated Mild COc1cc2c3c(c1)O[C@@]1(C[C@H](C)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428644 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428645 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428646 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428647 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cccnc4cc1F)[C@@H](C2)C3=O ZINC000587428648 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cccnc4cc1F)[C@@H](C2)C3=O ZINC000587428649 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4ccc(F)cc4s1)[C@@H](C2)C3=O ZINC000587428676 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4ccc(F)cc4s1)[C@@H](C2)C3=O ZINC000587428678 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnc4ccc(F)cc14)[C@@H](C2)C3=O ZINC000587428689 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnc4ccc(F)cc14)[C@@H](C2)C3=O ZINC000587428691 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(F)cc(F)cc41)[C@@H](C2)C3=O ZINC000587428696 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(F)cc(F)cc41)[C@@H](C2)C3=O ZINC000587428698 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428778 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428781 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(F)cc4c1OCCC4)[C@@H](C2)C3=O ZINC000587428783 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc4c1OCCC4)[C@@H](C2)C3=O ZINC000587428785 EH Annotated Anodyne CCOc1cc(F)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428806 EH Annotated Anodyne CCOc1cc(F)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428807 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587428810 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587428811 EH Annotated Reactive CCN(CC)CC1([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCC1 ZINC000587428846 EH Annotated Anodyne CCN(CC)CC1([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCC1 ZINC000587428847 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(F)c4F)[C@@H](C2)C3=O ZINC000587428942 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(F)c4F)[C@@H](C2)C3=O ZINC000587428943 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4cc(F)ccc4[nH]1)[C@@H](C2)C3=O ZINC000587428948 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4cc(F)ccc4[nH]1)[C@@H](C2)C3=O ZINC000587428949 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cccc(F)c4n1)[C@@H](C2)C3=O ZINC000587429001 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cccc(F)c4n1)[C@@H](C2)C3=O ZINC000587429003 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C#N)c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587429007 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C#N)c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587429009 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@H](C#N)c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587429010 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C#N)c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587429011 EH Annotated Mild COc1cc2c3c(c1)O[C@]1(CCSc4c(F)cccc41)[C@@H](C2)C3=O ZINC000587429050 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCSc4c(F)cccc41)[C@@H](C2)C3=O ZINC000587429052 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ncc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587429058 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587429060 EH Annotated Anodyne COCC[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429142 EH Annotated Anodyne COCC[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429144 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587429146 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587429147 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(=C\N(C)C)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587429171 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(=C/N(C)C)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587429172 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(=C/N(C)C)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587429173 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(=C\N(C)C)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587429174 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H]1[C@@H](CC#N)C1(C)C)[C@@H](C2)C3=O ZINC000587429191 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(C[C@H]1[C@@H](CC#N)C1(C)C)[C@@H](C2)C3=O ZINC000587429192 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(C[C@@H]1[C@H](CC#N)C1(C)C)[C@@H](C2)C3=O ZINC000587429193 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(C[C@H]1[C@H](CC#N)C1(C)C)[C@@H](C2)C3=O ZINC000587429194 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccccc1-n1cccc1)[C@@H](C2)C3=O ZINC000587429258 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1cccc1)[C@@H](C2)C3=O ZINC000587429259 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1n[nH]c4c(C)cc(F)cc14)[C@@H](C2)C3=O ZINC000587429369 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1n[nH]c4c(C)cc(F)cc14)[C@@H](C2)C3=O ZINC000587429372 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587429442 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587429443 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc([C@@H](C)N(C)C)cc1)[C@@H](C2)C3=O ZINC000587429597 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([C@@H](C)N(C)C)cc1)[C@@H](C2)C3=O ZINC000587429598 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([C@H](C)N(C)C)cc1)[C@@H](C2)C3=O ZINC000587429599 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([C@H](C)N(C)C)cc1)[C@@H](C2)C3=O ZINC000587429600 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnn(C(C)(C)C)c1C)[C@@H](C2)C3=O ZINC000587429617 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnn(C(C)(C)C)c1C)[C@@H](C2)C3=O ZINC000587429646 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1ccc(F)cc41)[C@@H](C2)C3=O ZINC000587429709 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1ccc(F)cc41)[C@@H](C2)C3=O ZINC000587429711 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587429740 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587429743 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C4CCCC4)nc1C)[C@@H](C2)C3=O ZINC000587429813 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C4CCCC4)nc1C)[C@@H](C2)C3=O ZINC000587429816 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cc(C)cc(C)c1)[C@@H](C2)C3=O ZINC000587429817 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(C)cc(C)c1)[C@@H](C2)C3=O ZINC000587429819 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1cc(F)cnc1Cl)[C@@H](C2)C3=O ZINC000587429883 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cccc(OC)c4n1C)[C@@H](C2)C3=O ZINC000587429884 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)cnc1Cl)[C@@H](C2)C3=O ZINC000587429885 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cccc(OC)c4n1C)[C@@H](C2)C3=O ZINC000587429887 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(F)ccc4n1C)[C@@H](C2)C3=O ZINC000587429948 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(F)ccc4n1C)[C@@H](C2)C3=O ZINC000587429951 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4cc(F)ccc14)[C@@H](C2)C3=O ZINC000587429972 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)c4cc(F)ccc14)[C@@H](C2)C3=O ZINC000587429974 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)n1C)[C@@H](C2)C3=O ZINC000587429982 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4)n1C)[C@@H](C2)C3=O ZINC000587429984 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-n4cccc4)c1)[C@@H](C2)C3=O ZINC000587429986 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-n4cccc4)c1)[C@@H](C2)C3=O ZINC000587429989 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587430039 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4cc(F)ccc14)[C@@H](C2)C3=O ZINC000587430102 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4cc(F)ccc14)[C@@H](C2)C3=O ZINC000587430104 EH Annotated Anodyne CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587430129 EH Annotated Anodyne CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587430130 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587430186 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587430240 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587430241 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587430251 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587430252 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587430315 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587430317 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)c4ccc(C)cc14)[C@@H](C2)C3=O ZINC000587430360 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4ccc(C)cc14)[C@@H](C2)C3=O ZINC000587430362 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4c(cnn4C(C)C)c1)[C@@H](C2)C3=O ZINC000587430364 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(C)ccc4n1C)[C@@H](C2)C3=O ZINC000587430365 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4c(cnn4C(C)C)c1)[C@@H](C2)C3=O ZINC000587430366 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(C)ccc4n1C)[C@@H](C2)C3=O ZINC000587430367 EH Annotated Anodyne CCCn1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587430384 EH Annotated Anodyne CCCn1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587430388 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1C)[C@@H](C2)C3=O ZINC000587430389 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1C)[C@@H](C2)C3=O ZINC000587430390 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4cccc(C)c14)[C@@H](C2)C3=O ZINC000587430402 EH Annotated Anodyne C=CCn1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587430403 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1cn(C)c4cccc(C)c14)[C@@H](C2)C3=O ZINC000587430404 EH Annotated Anodyne C=CCn1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587430406 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc(C#N)cc1)[C@@H](C2)C3=O ZINC000587430474 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc(C#N)cc1)[C@@H](C2)C3=O ZINC000587430475 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc(C#N)cc1)[C@@H](C2)C3=O ZINC000587430476 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc(C#N)cc1)[C@@H](C2)C3=O ZINC000587430477 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cnc(C)n1-c1ccccc1)[C@@H](C2)C3=O ZINC000587430530 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(C)n1-c1ccccc1)[C@@H](C2)C3=O ZINC000587430532 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)c4ccccc4n1C)[C@@H](C2)C3=O ZINC000587430534 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)c4ccccc4n1C)[C@@H](C2)C3=O ZINC000587430537 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(C)n1)[C@@H](C2)C3=O ZINC000587430539 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(C)n1)[C@@H](C2)C3=O ZINC000587430541 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(C)cn1)[C@@H](C2)C3=O ZINC000587430564 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(C)cn1)[C@@H](C2)C3=O ZINC000587430565 EH Annotated Anodyne CCn1c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587430585 EH Annotated Anodyne CCn1c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587430591 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)nn1C1CCCC1)[C@@H](C2)C3=O ZINC000587430842 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)nn1C1CCCC1)[C@@H](C2)C3=O ZINC000587430843 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4cccc(C)c4)c1)[C@@H](C2)C3=O ZINC000587430880 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cccc(C)c4)c1)[C@@H](C2)C3=O ZINC000587430887 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C4CC4)nn1C(C)C)[C@@H](C2)C3=O ZINC000587430942 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C4CC4)nn1C(C)C)[C@@H](C2)C3=O ZINC000587430945 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C(C)C)c1C)[C@@H](C2)C3=O ZINC000587430948 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(C(C)C)c1C)[C@@H](C2)C3=O ZINC000587430955 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587430961 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cn(C)c(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587430963 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587430964 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1cn(C)c(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587430965 EH Annotated Anodyne CC[C@]1(c2ccc(N(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430977 EH Annotated Anodyne CC[C@@]1(c2ccc(N(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430978 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587431026 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587431027 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)c4cc(OC)ccc14)[C@@H](C2)C3=O ZINC000587431079 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4cc(OC)ccc14)[C@@H](C2)C3=O ZINC000587431081 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccc4)cc1)[C@@H](C2)C3=O ZINC000587431094 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccc4)cc1)[C@@H](C2)C3=O ZINC000587431096 EH Annotated Anodyne COc1ccc([C@@]2(CCC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431106 EH Annotated Mild COc1ccc([C@]2(CCC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431108 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(C(C)C)c1C)[C@@H](C2)C3=O ZINC000587431135 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(C(C)C)c1C)[C@@H](C2)C3=O ZINC000587431136 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cccn4)cc1)[C@@H](C2)C3=O ZINC000587431173 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cccn4)cc1)[C@@H](C2)C3=O ZINC000587431174 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431252 EH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc(C)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431255 EH Annotated Bother CCn1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587431269 EH Annotated Anodyne CCn1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 ZINC000587431271 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-n1ccnc1C)[C@@H](C2)C3=O ZINC000587431295 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1ccnc1C)[C@@H](C2)C3=O ZINC000587431299 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccn(C)n4)c1)[C@@H](C2)C3=O ZINC000587431373 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccn(C)n4)c1)[C@@H](C2)C3=O ZINC000587431377 EH Annotated Anodyne CCn1ncc([C@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431607 EH Annotated Anodyne CCn1ncc([C@@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431608 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C4CC4)n(C(C)C)n1)[C@@H](C2)C3=O ZINC000587431612 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431613 EH Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C4CC4)n(C(C)C)n1)[C@@H](C2)C3=O ZINC000587431614 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431615 EH Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cnn(C4CCCCC4)c1)[C@@H](C2)C3=O ZINC000587431621 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(C4CCCCC4)c1)[C@@H](C2)C3=O ZINC000587431622 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C(C)(C)C)c1C)[C@@H](C2)C3=O ZINC000587431624 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(C(C)(C)C)c1C)[C@@H](C2)C3=O ZINC000587431625 EH Annotated Anodyne CCCCCn1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587431635 EH Annotated Anodyne CCCCCn1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587431636 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4ccnc4)cc1)[C@@H](C2)C3=O ZINC000587431643 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4ccnc4)cc1)[C@@H](C2)C3=O ZINC000587431645 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ncccc1C)[C@@H](C2)C3=O ZINC000587431689 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ncccc1C)[C@@H](C2)C3=O ZINC000587431690 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccco1)[C@@H](C2)C3=O ZINC000587431695 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccco1)[C@@H](C2)C3=O ZINC000587431698 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4cnn(C)c4)c1)[C@@H](C2)C3=O ZINC000587431715 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cnn(C)c4)c1)[C@@H](C2)C3=O ZINC000587431716 EH Annotated Anodyne C#CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587431735 EH Annotated Mild C#CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587431736 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O ZINC000587431805 EH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O ZINC000587431806 EH Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cccc([N+](=O)[O-])c1C)[C@@H](C2)C3=O ZINC000587431889 EH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cccc([N+](=O)[O-])c1C)[C@@H](C2)C3=O ZINC000587431892 EH Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccccc1-n1ccnc1)[C@@H](C2)C3=O ZINC000587431900 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-n1ccnc1)[C@@H](C2)C3=O ZINC000587431902 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)cc(O)n4C)[C@@H](C2)C3=O ZINC000587432012 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)cc(O)n4C)[C@@H](C2)C3=O ZINC000587432014 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)c4c(C)cccc14)[C@@H](C2)C3=O ZINC000587432030 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4c(C)cccc14)[C@@H](C2)C3=O ZINC000587432032 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(C)ccn1)[C@@H](C2)C3=O ZINC000587432038 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(C)ccn1)[C@@H](C2)C3=O ZINC000587432040 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccnn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587432089 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccnn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587432090 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4C)c1)[C@@H](C2)C3=O ZINC000587432091 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4C)c1)[C@@H](C2)C3=O ZINC000587432092 EH Annotated Anodyne CCC[C@@]1(c2cn(CC)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432099 EH Annotated Anodyne CCC[C@]1(c2cn(CC)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432100 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cnn(C)c4)cc1)[C@@H](C2)C3=O ZINC000587432141 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cnn(C)c4)cc1)[C@@H](C2)C3=O ZINC000587432142 EH Annotated Anodyne CCn1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587432163 EH Annotated Anodyne CCn1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587432164 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)ccc4n1C)[C@@H](C2)C3=O ZINC000587432182 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(OC)ccc4n1C)[C@@H](C2)C3=O ZINC000587432183 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4C)cc1)[C@@H](C2)C3=O ZINC000587432201 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4C)cc1)[C@@H](C2)C3=O ZINC000587432203 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)cccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432234 EH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1c(C)cccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432236 EH Annotated Bother CCc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] ZINC000587432361 EH Annotated Bother CCc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] ZINC000587432363 EH Annotated Bother CCCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C2CC2)n1 ZINC000587432462 EH Annotated Anodyne CCCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C2CC2)n1 ZINC000587432463 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1-n1cccn1)[C@@H](C2)C3=O ZINC000587432521 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1-n1cccn1)[C@@H](C2)C3=O ZINC000587432522 EH Annotated Anodyne CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(C)C)n1 ZINC000587432563 EH Annotated Anodyne CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(C)C)n1 ZINC000587432564 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(C)=O)c4ccccc14)[C@@H](C2)C3=O ZINC000587432647 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(C)=O)c4ccccc14)[C@@H](C2)C3=O ZINC000587432648 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C)n1-c1cccnc1)[C@@H](C2)C3=O ZINC000587432851 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C)n1-c1cccnc1)[C@@H](C2)C3=O ZINC000587432854 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587432888 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587432889 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)cc1C)[C@@H](C2)C3=O ZINC000587432974 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)cc1C)[C@@H](C2)C3=O ZINC000587432976 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587433044 EH Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587433045 EH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587433165 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587433166 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnn(C4CCCC4)c1)[C@@H](C2)C3=O ZINC000587433248 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnn(C4CCCC4)c1)[C@@H](C2)C3=O ZINC000587433249 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)nn1C)[C@@H](C2)C3=O ZINC000587433373 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)nn1C)[C@@H](C2)C3=O ZINC000587433374 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1-n1cccn1)[C@@H](C2)C3=O ZINC000587433375 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-n1cccn1)[C@@H](C2)C3=O ZINC000587433376 EH Annotated Anodyne C=C(C)Cn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587433399 EH Annotated Mild C=C(C)Cn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587433400 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccnn1-c1ccccc1C)[C@@H](C2)C3=O ZINC000587433469 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnn1-c1ccccc1C)[C@@H](C2)C3=O ZINC000587433470 EH Annotated Anodyne CCCn1nc(C2CC2)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433552 EH Annotated Anodyne CCCn1nc(C2CC2)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433553 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(C)c1-c1ccccc1)[C@@H](C2)C3=O ZINC000587433614 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(C)c1-c1ccccc1)[C@@H](C2)C3=O ZINC000587433616 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(C1CCC1)[C@@H](C2)C3=O ZINC000587433968 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(C1CCC1)[C@@H](C2)C3=O ZINC000587433969 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1oc4ccccc4c1N)[C@@H](C2)C3=O ZINC000587434502 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1oc4ccccc4c1N)[C@@H](C2)C3=O ZINC000587434503 EH Annotated Anodyne CCCCCCN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434521 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(OC)c4ccccc14)[C@@H](C2)C3=O ZINC000587434757 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(OC)c4ccccc14)[C@@H](C2)C3=O ZINC000587434758 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587434856 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587434857 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1OC)[C@@H](C2)C3=O ZINC000587434882 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1OC)[C@@H](C2)C3=O ZINC000587434885 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cccc(OC)c4n1)[C@@H](C2)C3=O ZINC000587434964 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cccc(OC)c4n1)[C@@H](C2)C3=O ZINC000587434967 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cccc4ccncc14)[C@@H](C2)C3=O ZINC000587434990 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1cccc4ccncc14)[C@@H](C2)C3=O ZINC000587434993 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cncnc4)cc1)[C@@H](C2)C3=O ZINC000587435046 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cncnc4)cc1)[C@@H](C2)C3=O ZINC000587435047 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4ccccc4nc1C)[C@@H](C2)C3=O ZINC000587435064 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc4ccccc4nc1C)[C@@H](C2)C3=O ZINC000587435070 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nccc4ccccc14)[C@@H](C2)C3=O ZINC000587435119 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nccc4ccccc14)[C@@H](C2)C3=O ZINC000587435120 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4cncnc4)c1)[C@@H](C2)C3=O ZINC000587435134 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cncnc4)c1)[C@@H](C2)C3=O ZINC000587435135 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1c1ccccn1)[C@@H](C2)C3=O ZINC000587435158 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1c1ccccn1)[C@@H](C2)C3=O ZINC000587435159 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1c1ccccn1)[C@@H](C2)C3=O ZINC000587435161 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1c1ccccn1)[C@@H](C2)C3=O ZINC000587435163 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccc(C)cc4nc1O)[C@@H](C2)C3=O ZINC000587435306 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccc(C)cc4nc1O)[C@@H](C2)C3=O ZINC000587435308 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4ccccc4cn1)[C@@H](C2)C3=O ZINC000587435356 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4ccccc4cn1)[C@@H](C2)C3=O ZINC000587435358 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c4ncccc14)[C@@H](C2)C3=O ZINC000587435400 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c4ncccc14)[C@@H](C2)C3=O ZINC000587435401 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)on1)[C@@H](C2)C3=O ZINC000587435402 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)on1)[C@@H](C2)C3=O ZINC000587435403 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC(C)(C)C)n1)[C@@H](C2)C3=O ZINC000587435475 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC(C)(C)C)n1)[C@@H](C2)C3=O ZINC000587435476 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-c1cncnc1)[C@@H](C2)C3=O ZINC000587435530 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1cncnc1)[C@@H](C2)C3=O ZINC000587435532 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4ncccc4c1)[C@@H](C2)C3=O ZINC000587435547 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4ncccc4c1)[C@@H](C2)C3=O ZINC000587435548 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ncccn4)c1)[C@@H](C2)C3=O ZINC000587435550 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ncccn4)c1)[C@@H](C2)C3=O ZINC000587435552 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccnc1)[C@@H](C2)C3=O ZINC000587435557 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccnc1)[C@@H](C2)C3=O ZINC000587435559 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1coc(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587435589 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1coc(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587435591 EH Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C4CCCCC4)CC1)[C@@H](C2)C3=O ZINC000587435646 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)c(C=O)n4ccccc14)[C@@H](C2)C3=O ZINC000587435766 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)c(C=O)n4ccccc14)[C@@H](C2)C3=O ZINC000587435768 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4cnccc4nc1C)[C@@H](C2)C3=O ZINC000587435968 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4cnccc4nc1C)[C@@H](C2)C3=O ZINC000587435969 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccnc1OC(C)C)[C@@H](C2)C3=O ZINC000587436071 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cc(C)ccc4nc1O)[C@@H](C2)C3=O ZINC000587436073 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccnc1OC(C)C)[C@@H](C2)C3=O ZINC000587436074 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(C)ccc4nc1O)[C@@H](C2)C3=O ZINC000587436075 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnc(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587436090 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnc(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587436091 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4nc(C)oc14)[C@@H](C2)C3=O ZINC000587436149 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4nc(C)oc14)[C@@H](C2)C3=O ZINC000587436150 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4cccnc4)C1)[C@@H](C2)C3=O ZINC000587436175 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4cccnc4)C1)[C@@H](C2)C3=O ZINC000587436176 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4cccnc4)C1)[C@@H](C2)C3=O ZINC000587436177 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4cccnc4)C1)[C@@H](C2)C3=O ZINC000587436178 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(C(C)C)n4ccccc14)[C@@H](C2)C3=O ZINC000587436207 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(C(C)C)n4ccccc14)[C@@H](C2)C3=O ZINC000587436208 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccncc1)[C@@H](C2)C3=O ZINC000587436280 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccncc1)[C@@H](C2)C3=O ZINC000587436282 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ncccn4)cc1)[C@@H](C2)C3=O ZINC000587436321 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ncccn4)cc1)[C@@H](C2)C3=O ZINC000587436322 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cc(OC)ccc4n1)[C@@H](C2)C3=O ZINC000587436375 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cc(OC)ccc4n1)[C@@H](C2)C3=O ZINC000587436376 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4cc(OC)ccc14)[C@@H](C2)C3=O ZINC000587436663 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4cc(OC)ccc14)[C@@H](C2)C3=O ZINC000587436664 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587436695 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587436698 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccncc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587436705 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccncc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587436707 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cnc4ccccc4c1)[C@@H](C2)C3=O ZINC000587436765 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1cnc4ccccc4c1)[C@@H](C2)C3=O ZINC000587436766 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4nc(C)ccc4o1)[C@@H](C2)C3=O ZINC000587436773 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4nc(C)ccc4o1)[C@@H](C2)C3=O ZINC000587436775 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)[nH]1)[C@@H](C2)C3=O ZINC000587436783 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4)[nH]1)[C@@H](C2)C3=O ZINC000587436786 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-c1nc(C)no1)[C@@H](C2)C3=O ZINC000587436891 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1nc(C)no1)[C@@H](C2)C3=O ZINC000587436892 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)(C1CCCC1)[C@@H](C2)C3=O ZINC000587436919 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)(C1CCCC1)[C@@H](C2)C3=O ZINC000587436920 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1nc4ccccc4o1)[C@@H](C2)C3=O ZINC000587436969 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1nc4ccccc4o1)[C@@H](C2)C3=O ZINC000587436971 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4cnccc14)[C@@H](C2)C3=O ZINC000587436996 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4cnccc14)[C@@H](C2)C3=O ZINC000587436998 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O ZINC000587437001 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O ZINC000587437003 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4cnccn4)c1)[C@@H](C2)C3=O ZINC000587437019 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cnccn4)c1)[C@@H](C2)C3=O ZINC000587437020 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4nnc(C)o4)cc1)[C@@H](C2)C3=O ZINC000587437089 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nnc(C)o4)cc1)[C@@H](C2)C3=O ZINC000587437091 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc[nH]c1)[C@@H](C2)C3=O ZINC000587437165 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc[nH]c1)[C@@H](C2)C3=O ZINC000587437166 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4cc(C)c(C)cc4[nH]1)[C@@H](C2)C3=O ZINC000587437179 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4cc(C)c(C)cc4[nH]1)[C@@H](C2)C3=O ZINC000587437180 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)c(C#N)n4ccccc14)[C@@H](C2)C3=O ZINC000587437225 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(C)c(C#N)n4ccccc14)[C@@H](C2)C3=O ZINC000587437226 EH Annotated Mild COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587437304 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587437305 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cnccn4)cc1)[C@@H](C2)C3=O ZINC000587437308 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cccc(C)c4nc1O)[C@@H](C2)C3=O ZINC000587437319 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cccc(C)c4nc1O)[C@@H](C2)C3=O ZINC000587437320 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4ccccc4n1)[C@@H](C2)C3=O ZINC000587437337 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4ccccc4n1)[C@@H](C2)C3=O ZINC000587437338 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1ccc4cnccc4c1)[C@@H](C2)C3=O ZINC000587437343 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccc4cnccc4c1)[C@@H](C2)C3=O ZINC000587437344 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cnccn4)cc1)[C@@H](C2)C3=O ZINC000587437375 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc4cc(C)ccn4c1C)[C@@H](C2)C3=O ZINC000587437411 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4cc(C)ccn4c1C)[C@@H](C2)C3=O ZINC000587437412 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587437460 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587437463 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587437502 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587437503 EH Annotated Anodyne CCC[C@@H](C)CN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437514 EH Annotated Anodyne CCC[C@H](C)CN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437517 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(OC)c(C)c14)[C@@H](C2)C3=O ZINC000587437560 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc(OC)c(C)c14)[C@@H](C2)C3=O ZINC000587437562 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1[nH]c(C)c(C(C)=O)c1C)[C@@H](C2)C3=O ZINC000587437583 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1[nH]c(C)c(C(C)=O)c1C)[C@@H](C2)C3=O ZINC000587437586 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)[nH]c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587437706 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)[nH]c4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587437707 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(C#N)cccc14)[C@@H](C2)C3=O ZINC000587437718 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(C#N)cccc14)[C@@H](C2)C3=O ZINC000587437725 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(COc1c(C)cccc1C)[C@@H](C2)C3=O ZINC000587437781 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(COc1c(C)cccc1C)[C@@H](C2)C3=O ZINC000587437783 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccccc4)[nH]1)[C@@H](C2)C3=O ZINC000587438022 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(-c4ccccc4)[nH]1)[C@@H](C2)C3=O ZINC000587438023 EH Annotated Anodyne CCc1cc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc2[nH]1 ZINC000587438082 EH Annotated Anodyne CCc1cc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc2[nH]1 ZINC000587438088 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc(OC)c14)[C@@H](C2)C3=O ZINC000587438097 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc(OC)c14)[C@@H](C2)C3=O ZINC000587438099 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc4ccc(C)cc4[nH]1)[C@@H](C2)C3=O ZINC000587438330 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4ccc(C)cc4[nH]1)[C@@H](C2)C3=O ZINC000587438331 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)C[C@@H](C)N4C)[C@@H](C2)C3=O ZINC000587438343 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)C[C@@H](C)N4C)[C@@H](C2)C3=O ZINC000587438344 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)C[C@H](C)N4C)[C@@H](C2)C3=O ZINC000587438346 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)C[C@H](C)N4C)[C@@H](C2)C3=O ZINC000587438348 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587438422 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587438430 EH Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ccccc4C)CC1)[C@@H](C2)C3=O ZINC000587438543 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCC[C@@H](C)C1)[C@@H](C2)C3=O ZINC000587438550 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCC[C@@H](C)C1)[C@@H](C2)C3=O ZINC000587438551 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCC[C@H](C)C1)[C@@H](C2)C3=O ZINC000587438552 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCC[C@H](C)C1)[C@@H](C2)C3=O ZINC000587438553 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1ccccc41)[C@@H](C2)C3=O ZINC000587438605 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1ccccc41)[C@@H](C2)C3=O ZINC000587438607 EH Annotated Anodyne CCN1c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2C[C@@H]1C ZINC000587438630 EH Annotated Anodyne CCN1c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2C[C@H]1C ZINC000587438631 EH Annotated Anodyne CCN1c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2C[C@H]1C ZINC000587438632 EH Annotated Anodyne CCN1c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2C[C@@H]1C ZINC000587438634 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4[nH]c(C)cc41)[C@@H](C2)C3=O ZINC000587438642 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4[nH]c(C)cc41)[C@@H](C2)C3=O ZINC000587438644 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCC(C)CC1)[C@@H](C2)C3=O ZINC000587438645 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(OC)ccc14)[C@@H](C2)C3=O ZINC000587438646 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCC(C)CC1)[C@@H](C2)C3=O ZINC000587438647 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(OC)ccc14)[C@@H](C2)C3=O ZINC000587438648 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4noc(C)n4)c1)[C@@H](C2)C3=O ZINC000587438701 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4noc(C)n4)c1)[C@@H](C2)C3=O ZINC000587438702 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(C#N)ccc14)[C@@H](C2)C3=O ZINC000587438731 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(C#N)ccc14)[C@@H](C2)C3=O ZINC000587438732 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(OC)cccc14)[C@@H](C2)C3=O ZINC000587438794 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(OC)cccc14)[C@@H](C2)C3=O ZINC000587438797 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCCN4)[C@@H](C2)C3=O ZINC000587438882 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCCN4)[C@@H](C2)C3=O ZINC000587438883 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)[nH]n1)[C@@H](C2)C3=O ZINC000587438888 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)[nH]n1)[C@@H](C2)C3=O ZINC000587438889 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4[nH]c(O)cc4c1)[C@@H](C2)C3=O ZINC000587438897 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4[nH]c(O)cc4c1)[C@@H](C2)C3=O ZINC000587438898 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4ncc(C)cc14)[C@@H](C2)C3=O ZINC000587439032 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4ncc(C)cc14)[C@@H](C2)C3=O ZINC000587439034 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439074 EH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439075 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(CCc1n[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439097 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1n[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439099 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O ZINC000587439443 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O ZINC000587439444 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN([C@H](C)c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439575 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN([C@H](C)c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439579 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN([C@@H](C)c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439586 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN([C@@H](C)c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439590 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ncc[nH]1)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587439608 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ncc[nH]1)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587439610 EH Annotated Anodyne CCOC(=O)C[C@]1(CC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439642 EH Annotated Anodyne CCOC(=O)C[C@@]1(CC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439645 EH Annotated Anodyne CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587439757 EH Annotated Anodyne CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587439758 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439814 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439816 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587439818 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587439820 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c4ccc(OC)cc4c1C)[C@@H](C2)C3=O ZINC000587439864 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccc(OC)cc4c1C)[C@@H](C2)C3=O ZINC000587439866 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cccc(OC)c4[nH]1)[C@@H](C2)C3=O ZINC000587439874 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cccc(OC)c4[nH]1)[C@@H](C2)C3=O ZINC000587439876 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](C)COCc1ccccc1)[C@@H](C2)C3=O ZINC000587439897 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](C)COCc1ccccc1)[C@@H](C2)C3=O ZINC000587439901 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](C)COCc1ccccc1)[C@@H](C2)C3=O ZINC000587439903 EH Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ccc(C)cc4)CC1)[C@@H](C2)C3=O ZINC000587439904 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](C)COCc1ccccc1)[C@@H](C2)C3=O ZINC000587439905 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(C(C)=O)c1C)[C@@H](C2)C3=O ZINC000587439981 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(C(C)=O)c1C)[C@@H](C2)C3=O ZINC000587439983 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4[nH]cc(C)c41)[C@@H](C2)C3=O ZINC000587440018 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4[nH]cc(C)c41)[C@@H](C2)C3=O ZINC000587440020 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4nc(C)no4)c1)[C@@H](C2)C3=O ZINC000587440022 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4nc(C)no4)c1)[C@@H](C2)C3=O ZINC000587440024 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c(OC)cccc41)[C@@H](C2)C3=O ZINC000587440214 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c(OC)cccc41)[C@@H](C2)C3=O ZINC000587440215 EH Annotated Anodyne CCOc1c(OC)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440238 EH Annotated Anodyne CCOc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440239 EH Annotated Anodyne CCCCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587440271 EH Annotated Anodyne CCOC(=O)C(CC)(CC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440278 EH Annotated Anodyne CCOC(=O)C(CC)(CC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440279 EH Annotated Anodyne CCCCO[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587440286 EH Annotated Anodyne CCCCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587440288 EH Annotated Anodyne CCCCO[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587440289 EH Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4cccc(C)c4)CC1)[C@@H](C2)C3=O ZINC000587440449 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587440514 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587440515 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCOCc1ccccc1)[C@@H](C2)C3=O ZINC000587440555 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCOCc1ccccc1)[C@@H](C2)C3=O ZINC000587440562 EH Annotated Anodyne COc1ccc(C[C@@H](C)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440637 EH Annotated Anodyne COc1ccc(C[C@H](C)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440644 EH Annotated Anodyne COc1ccc(C[C@H](C)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440648 EH Annotated Anodyne COc1ccc(C[C@@H](C)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440650 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)cc(C)c1OC)[C@@H](C2)C3=O ZINC000587440766 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cc(C)c1OC)[C@@H](C2)C3=O ZINC000587440770 EH Annotated Anodyne CCc1ccc(OC)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440793 EH Annotated Anodyne CCc1ccc(OC)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440796 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1C1CCCCC1)[C@@H](C2)C3=O ZINC000587440827 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1C1CCCCC1)[C@@H](C2)C3=O ZINC000587440828 EH Annotated Anodyne COC(=O)CCCC[C@@H](C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440833 EH Annotated Anodyne COC(=O)CCCC[C@H](C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440836 EH Annotated Anodyne COC(=O)CCCC[C@@H](C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440838 EH Annotated Anodyne COC(=O)CCCC[C@H](C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440842 EH Annotated Anodyne C#CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440905 EH Annotated Mild C#CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440907 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(/C=C/N1CCCCCC1)[C@@H](C2)C3=O ZINC000587440980 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(/C=C/N1CCCCCC1)[C@@H](C2)C3=O ZINC000587440981 EH Annotated Anodyne CCOC(=O)C[C@@]1(CCC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441050 EH Annotated Anodyne CCOC(=O)C[C@]1(CCC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441053 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587441270 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587441274 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@H]1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587441277 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587441281 EH Annotated Anodyne COc1cc2c3c(c1)OC1(CC(OCc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441299 EH Annotated Anodyne C#CCCOc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441435 EH Annotated Mild C#CCCOc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441438 EH Annotated Mild COc1ccc(CC[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441514 EH Annotated Anodyne COc1ccc(CC[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441518 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4cccc(OC)c41)[C@@H](C2)C3=O ZINC000587441621 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4cccc(OC)c41)[C@@H](C2)C3=O ZINC000587441623 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(C)cc1OC)[C@@H](C2)C3=O ZINC000587441670 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(C)cc1OC)[C@@H](C2)C3=O ZINC000587441673 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(N4CCCC4)c1)[C@@H](C2)C3=O ZINC000587441711 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(N4CCCC4)c1)[C@@H](C2)C3=O ZINC000587441713 EH Annotated Anodyne COCCCc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441723 EH Annotated Anodyne COCCCc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441724 EH Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587441725 EH Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587441727 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCN4C(C)C)[C@@H](C2)C3=O ZINC000587441843 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCN4C(C)C)[C@@H](C2)C3=O ZINC000587441845 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587441903 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587441904 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4c1NCCC4)[C@@H](C2)C3=O ZINC000587441923 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4c1NCCC4)[C@@H](C2)C3=O ZINC000587441924 EH Annotated Anodyne CC[C@@]1(C2CCC(OC)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442040 EH Annotated Anodyne CC[C@]1(C2CCC(OC)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442043 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587442137 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587442141 EH Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(CC)CC ZINC000587442166 EH Annotated Anodyne CCO[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(CC)CC ZINC000587442169 EH Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(CC)CC ZINC000587442171 EH Annotated Anodyne CCO[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(CC)CC ZINC000587442175 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)o1)[C@@H](C2)C3=O ZINC000587442386 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)o1)[C@@H](C2)C3=O ZINC000587442387 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587442449 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587442450 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1n[nH]cc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587442499 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1n[nH]cc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587442500 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCCOCc1ccccc1)[C@@H](C2)C3=O ZINC000587442529 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCCOCc1ccccc1)[C@@H](C2)C3=O ZINC000587442530 EH Annotated Anodyne C=C1CC([C@@]2(CCCOC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 ZINC000587442567 EH Annotated Mild C=C1CC([C@]2(CCCOC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 ZINC000587442568 EH Annotated Mild COCCC1([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCCC1 ZINC000587442638 EH Annotated Anodyne COCCC1([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCCC1 ZINC000587442640 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(C)cc1OC)[C@@H](C2)C3=O ZINC000587442705 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(C)cc1OC)[C@@H](C2)C3=O ZINC000587442706 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](OCC(C)C)C1(C)C)[C@@H](C2)C3=O ZINC000587442754 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](OCC(C)C)C1(C)C)[C@@H](C2)C3=O ZINC000587442758 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](OCC(C)C)C1(C)C)[C@@H](C2)C3=O ZINC000587442760 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](OCC(C)C)C1(C)C)[C@@H](C2)C3=O ZINC000587442762 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC4CC4)cc1)[C@@H](C2)C3=O ZINC000587442814 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC4CC4)cc1)[C@@H](C2)C3=O ZINC000587442817 EH Annotated Anodyne CCN1CCc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587442970 EH Annotated Anodyne CCN1CCc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587442973 EH Annotated Anodyne CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587443115 EH Annotated Anodyne CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587443118 EH Annotated Anodyne COc1cccc([C@@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587443134 EH Annotated Anodyne COc1cccc([C@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587443136 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(CN4CCCC4)c1)[C@@H](C2)C3=O ZINC000587443170 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(CN4CCCC4)c1)[C@@H](C2)C3=O ZINC000587443174 EH Annotated Anodyne COc1ccc(CC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 ZINC000587443217 EH Annotated Anodyne COc1ccc(CC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 ZINC000587443218 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCC4CC4)c1)[C@@H](C2)C3=O ZINC000587443282 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCC4CC4)c1)[C@@H](C2)C3=O ZINC000587443283 EH Annotated Anodyne CCOCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443340 EH Annotated Anodyne CCOCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443341 EH Annotated Anodyne CCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OC ZINC000587443393 EH Annotated Anodyne CCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OC ZINC000587443395 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1C)[C@@H](C2)C3=O ZINC000587443494 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1C)[C@@H](C2)C3=O ZINC000587443499 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C=O)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587443684 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C=O)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587443688 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587443801 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587443803 EH Annotated Anodyne CCOc1ccc(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443866 EH Annotated Anodyne CCOc1ccc(C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443869 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(OC)cc1C)[C@@H](C2)C3=O ZINC000587444028 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(OC)cc1C)[C@@H](C2)C3=O ZINC000587444029 EH Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCC2 ZINC000587444083 EH Annotated Anodyne CCO[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCC2 ZINC000587444084 EH Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCC2 ZINC000587444085 EH Annotated Anodyne CCO[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCC2 ZINC000587444088 EH Annotated Anodyne COc1cc2c3c(c1)OC1(CC(c4ccccc4OC)C1)[C@@H](C2)C3=O ZINC000587444290 EH Annotated Anodyne CCC1(CC)[C@H](OC)[C@H](C)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444292 EH Annotated Anodyne CCC1(CC)[C@H](OC)[C@@H](C)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444295 EH Annotated Anodyne CCC1(CC)[C@H](OC)[C@@H](C)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444299 EH Annotated Anodyne CCC1(CC)[C@H](OC)[C@H](C)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444305 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C=O)(c1ccc4ccccc4c1)[C@@H](C2)C3=O ZINC000587444307 EH Annotated Mild COc1cc2c3c(c1)O[C@](C=O)(c1ccc4ccccc4c1)[C@@H](C2)C3=O ZINC000587444321 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCCC1)[C@@H](C2)C3=O ZINC000587444423 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCCC1)[C@@H](C2)C3=O ZINC000587444424 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1CN1CCCC1)[C@@H](C2)C3=O ZINC000587444458 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1CN1CCCC1)[C@@H](C2)C3=O ZINC000587444459 EH Annotated Anodyne CCCC[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444480 EH Annotated Anodyne CCCC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444481 EH Annotated Anodyne CCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444482 EH Annotated Anodyne CCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444483 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(OCC(C)C)CCC1)[C@@H](C2)C3=O ZINC000587444500 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(OCC(C)C)CCC1)[C@@H](C2)C3=O ZINC000587444501 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)CCC4)[C@@H](C2)C3=O ZINC000587444519 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)CCC4)[C@@H](C2)C3=O ZINC000587444520 EH Annotated Anodyne COc1ccc([C@@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444551 EH Annotated Anodyne COc1ccc([C@]2(C3CC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444552 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C)c1OC)[C@@H](C2)C3=O ZINC000587444686 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C)c1OC)[C@@H](C2)C3=O ZINC000587444687 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)c(OC)cc(C)c1O)[C@@H](C2)C3=O ZINC000587444712 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)c(OC)cc(C)c1O)[C@@H](C2)C3=O ZINC000587444716 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC)cc1OC)[C@@H](C2)C3=O ZINC000587444755 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC)cc1OC)[C@@H](C2)C3=O ZINC000587444757 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCCCCC1)[C@@H](C2)C3=O ZINC000587444990 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCCCCC1)[C@@H](C2)C3=O ZINC000587444991 EH Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCCC2 ZINC000587445019 EH Annotated Anodyne CCN1CCCc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587445020 EH Annotated Anodyne CCN1CCCc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587445021 EH Annotated Anodyne CCO[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCCC2 ZINC000587445027 EH Annotated Anodyne CCO[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCCC2 ZINC000587445029 EH Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCCC2 ZINC000587445030 EH Annotated Anodyne COc1ccc2c(c1)CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445039 EH Annotated Anodyne COc1ccc2c(c1)CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445040 EH Annotated Anodyne C=CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587445086 EH Annotated Mild C=CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587445089 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCCN4C)[C@@H](C2)C3=O ZINC000587445308 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCCN4C)[C@@H](C2)C3=O ZINC000587445309 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1C)[C@@H](C2)C3=O ZINC000587445375 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1C)[C@@H](C2)C3=O ZINC000587445376 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(OC)c(C)c1)[C@@H](C2)C3=O ZINC000587445408 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(OC)c(C)c1)[C@@H](C2)C3=O ZINC000587445410 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc4ccccc4c1)[C@@H](C2)C3=O ZINC000587445427 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(=O)c1ccc4ccccc4c1)[C@@H](C2)C3=O ZINC000587445430 EH Annotated Anodyne C=CCOc1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587445442 EH Annotated Mild C=CCOc1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587445446 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccccc1OCC1CC1)[C@@H](C2)C3=O ZINC000587445452 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC1CC1)[C@@H](C2)C3=O ZINC000587445454 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)C4CC4)c1)[C@@H](C2)C3=O ZINC000587445467 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)C4CC4)c1)[C@@H](C2)C3=O ZINC000587445469 EH Annotated Anodyne C=CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587445472 EH Annotated Mild C=CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587445474 EH Annotated Mild COc1cc2c3c(c1)O[C@@](C)(CC/C=C\CCC(C)=O)[C@@H](C2)C3=O ZINC000587445513 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC/C=C\CCC(C)=O)[C@@H](C2)C3=O ZINC000587445516 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC/C=C/CCC(C)=O)[C@@H](C2)C3=O ZINC000587445517 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC/C=C/CCC(C)=O)[C@@H](C2)C3=O ZINC000587445519 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C=O)c1)(C1CCC1)[C@@H](C2)C3=O ZINC000587445885 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C=O)c1)(C1CCC1)[C@@H](C2)C3=O ZINC000587445903 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(/C=C/C(C)=O)cc1)[C@@H](C2)C3=O ZINC000587446079 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(/C=C/C(C)=O)cc1)[C@@H](C2)C3=O ZINC000587446080 EH Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCCC4=CC(=O)CC[C@]41C)[C@@H](C2)C3=O ZINC000587446120 EH Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCCC4=CC(=O)CC[C@@]41C)[C@@H](C2)C3=O ZINC000587446122 EH Annotated Mild COc1cc2c3c(c1)O[C@]1(CCCC4=CC(=O)CC[C@@]41C)[C@@H](C2)C3=O ZINC000587446124 EH Annotated Mild COc1cc2c3c(c1)O[C@]1(CCCC4=CC(=O)CC[C@]41C)[C@@H](C2)C3=O ZINC000587446127 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(CCCCCCC(=O)O)[C@@H](C2)C3=O ZINC000587446627 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCCCCCC(=O)O)[C@@H](C2)C3=O ZINC000587446628 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cccc5cccc1c45)[C@@H](C2)C3=O ZINC000587447596 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cccc5cccc1c45)[C@@H](C2)C3=O ZINC000587447597 EH Annotated Anodyne CCCCCCC[C@@]1(C(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447644 EH Annotated Mild CCCCCCC[C@]1(C(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447645 EH Annotated Mild COc1cc2c3c(c1)O[C@](C)(CSc1ccccc1)[C@@H](C2)C3=O ZINC000587447706 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CSc1ccccc1)[C@@H](C2)C3=O ZINC000587447707 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@@H](C)CCCC(C)(C)O)[C@@H](C2)C3=O ZINC000587448501 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@H](C)CCCC(C)(C)O)[C@@H](C2)C3=O ZINC000587448502 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@@H](C)CCCC(C)(C)O)[C@@H](C2)C3=O ZINC000587448503 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@H](C)CCCC(C)(C)O)[C@@H](C2)C3=O ZINC000587448504 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc[nH]n4)s1)[C@@H](C2)C3=O ZINC000587448745 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc[nH]n4)s1)[C@@H](C2)C3=O ZINC000587448746 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)s1)[C@@H](C2)C3=O ZINC000587448793 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)s1)[C@@H](C2)C3=O ZINC000587448795 EH Annotated Anodyne C=CCc1c(O)ccc2c1[C@]1(CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448829 EH Annotated Mild C=CCc1c(O)ccc2c1[C@@]1(CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448830 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cnc(CC(C)C)s1)[C@@H](C2)C3=O ZINC000587449096 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(CC(C)C)s1)[C@@H](C2)C3=O ZINC000587449097 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(SC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587449106 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(SC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587449107 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CSC)(c1ccccc1)[C@@H](C2)C3=O ZINC000587449476 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSC)(c1ccccc1)[C@@H](C2)C3=O ZINC000587449481 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4ncsc4c1)[C@@H](C2)C3=O ZINC000587449503 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4ncsc4c1)[C@@H](C2)C3=O ZINC000587449506 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587449539 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587449541 EH Annotated Anodyne CCc1cccc2c1OCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449584 EH Annotated Anodyne CCc1cccc2c1OCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449588 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccsc1)[C@@H](C2)C3=O ZINC000587449661 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccsc1)[C@@H](C2)C3=O ZINC000587449662 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CSc1ncc(C)s1)[C@@H](C2)C3=O ZINC000587449792 EH Annotated Clean COc1cc2c3c(c1)O[C@](C)(CSc1ncc(C)s1)[C@@H](C2)C3=O ZINC000587449797 EH Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(C)c(O)c(C)c(C)c1O)[C@@H](C2)C3=O ZINC000587449983 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)c(O)c(C)c(C)c1O)[C@@H](C2)C3=O ZINC000587449986 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)cc(C)c(CO)c1C)[C@@H](C2)C3=O ZINC000587450000 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)cc(C)c(CO)c1C)[C@@H](C2)C3=O ZINC000587450007 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4c(C)cccc41)[C@@H](C2)C3=O ZINC000587450040 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4c(C)cccc41)[C@@H](C2)C3=O ZINC000587450044 EH Annotated Anodyne C=C1CC([C@@]2(C3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 ZINC000587450227 EH Annotated Mild C=C1CC([C@]2(C3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 ZINC000587450230 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccs4)on1)[C@@H](C2)C3=O ZINC000587450302 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4cccs4)on1)[C@@H](C2)C3=O ZINC000587450304 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]([C@H](C)O)(C1(C)CCCCC1)[C@@H](C2)C3=O ZINC000587450458 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]([C@H](C)O)(C1(C)CCCCC1)[C@@H](C2)C3=O ZINC000587450460 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]([C@@H](C)O)(C1(C)CCCCC1)[C@@H](C2)C3=O ZINC000587450462 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]([C@@H](C)O)(C1(C)CCCCC1)[C@@H](C2)C3=O ZINC000587450463 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(C)s1)[C@@H](C2)C3=O ZINC000587450475 EH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(C)s1)[C@@H](C2)C3=O ZINC000587450479 EH Annotated Mild COc1cc2c3c(c1)O[C@H](c1nc4c(s1)C[C@@H](C)CC4)[C@@H](C2)C3=O ZINC000587450510 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)C[C@H](C)CC4)[C@@H](C2)C3=O ZINC000587450513 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)C[C@@H](C)CC4)[C@@H](C2)C3=O ZINC000587450515 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4c(s1)C[C@H](C)CC4)[C@@H](C2)C3=O ZINC000587450518 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(s1)CCC4)[C@@H](C2)C3=O ZINC000587450565 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4c(s1)CCC4)[C@@H](C2)C3=O ZINC000587450566 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)NCCS4)[C@@H](C2)C3=O ZINC000587450617 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)NCCS4)[C@@H](C2)C3=O ZINC000587450618 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CSCCc4ccccc41)[C@@H](C2)C3=O ZINC000587450686 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CSCCc4ccccc41)[C@@H](C2)C3=O ZINC000587450691 EH Annotated Anodyne COc1cc2c3c(c1)OC1(CCC4(CCOCC4)CC1)[C@@H](C2)C3=O ZINC000587450816 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1sccc1C)[C@@H](C2)C3=O ZINC000587450990 EH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1sccc1C)[C@@H](C2)C3=O ZINC000587450991 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(SC)c1)[C@@H](C2)C3=O ZINC000587451041 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(SC)c1)[C@@H](C2)C3=O ZINC000587451042 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S)c(OC)c1)[C@@H](C2)C3=O ZINC000587451055 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S)c(OC)c1)[C@@H](C2)C3=O ZINC000587451056 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4sc(Cl)cc41)[C@@H](C2)C3=O ZINC000587451282 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4sc(Cl)cc41)[C@@H](C2)C3=O ZINC000587451283 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cccs1)[C@@H](C2)C3=O ZINC000587451300 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cccs1)[C@@H](C2)C3=O ZINC000587451301 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C)s1)[C@@H](C2)C3=O ZINC000587451303 EH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C)s1)[C@@H](C2)C3=O ZINC000587451307 EH Annotated Reactive CCc1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587451444 EH Annotated Anodyne CCc1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587451446 EH Annotated Anodyne CC[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451556 EH Annotated Anodyne CC[C@]1(c2ccc3c(c2)CCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451558 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccco4)s1)[C@@H](C2)C3=O ZINC000587451698 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccco4)s1)[C@@H](C2)C3=O ZINC000587451699 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)S)[C@@H](C2)C3=O ZINC000587451710 EH Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)S)[C@@H](C2)C3=O ZINC000587451718 EH Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)S)[C@@H](C2)C3=O ZINC000587451720 EH Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)S)[C@@H](C2)C3=O ZINC000587451721 EH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(S)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587451723 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)CCCC4)[C@@H](C2)C3=O ZINC000587451973 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4c(s1)CCCC4)[C@@H](C2)C3=O ZINC000587451974 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(S)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587452119 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccco4)n1)[C@@H](C2)C3=O ZINC000587452217 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccsc1N)(C(C)C)[C@@H](C2)C3=O ZINC000587452287 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccsc1N)(C(C)C)[C@@H](C2)C3=O ZINC000587452289 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](CSCc1ccccc1)[C@@H](C2)C3=O ZINC000587452301 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CSCc1ccccc1)[C@@H](C2)C3=O ZINC000587452302 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4ccsc4c1)[C@@H](C2)C3=O ZINC000587452417 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4ccsc4c1)[C@@H](C2)C3=O ZINC000587452418 EH Annotated Anodyne CCCC[C@@H](O)[C@@]1(CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452466 EH Annotated Anodyne CCCC[C@H](O)[C@]1(CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452467 EH Annotated Anodyne CCCC[C@H](O)[C@@]1(CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452468 EH Annotated Anodyne CCCC[C@@H](O)[C@]1(CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452469 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc([C@H]4C[C@H]4C)s1)[C@@H](C2)C3=O ZINC000587452541 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc([C@H]4C[C@@H]4C)s1)[C@@H](C2)C3=O ZINC000587452542 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc([C@@H]4C[C@H]4C)s1)[C@@H](C2)C3=O ZINC000587452544 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc([C@@H]4C[C@@H]4C)s1)[C@@H](C2)C3=O ZINC000587452546 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4ccco4)n1)[C@@H](C2)C3=O ZINC000587452586 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587452676 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587452678 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452811 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452814 EH Annotated Anodyne CCc1nc2c(s1)[C@@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453000 EH Annotated Anodyne CCc1nc2c(s1)[C@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453006 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587453048 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(C(C)(C)C)s1)[C@@H](C2)C3=O ZINC000587453135 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(C(C)(C)C)s1)[C@@H](C2)C3=O ZINC000587453136 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(C(C)(C)C)n1)[C@@H](C2)C3=O ZINC000587453149 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(C(C)(C)C)n1)[C@@H](C2)C3=O ZINC000587453150 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587453251 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O)c(SC)c1)[C@@H](C2)C3=O ZINC000587453279 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(SC)c1)[C@@H](C2)C3=O ZINC000587453280 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1coc4ccc(C)cc4c1=O)[C@@H](C2)C3=O ZINC000587453342 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1coc4ccc(C)cc4c1=O)[C@@H](C2)C3=O ZINC000587453343 EH Annotated Anodyne C=CCc1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587453448 EH Annotated Mild C=CCc1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587453452 EH Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccn1)(c1cccs1)[C@@H](C2)C3=O ZINC000587453544 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1cccs1)[C@@H](C2)C3=O ZINC000587453552 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C(C)(C)O)cc1)[C@@H](C2)C3=O ZINC000587453592 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(C)(C)O)cc1)[C@@H](C2)C3=O ZINC000587453594 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(C(C)(C)C)s1)[C@@H](C2)C3=O ZINC000587453612 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(C(C)(C)C)s1)[C@@H](C2)C3=O ZINC000587453613 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1csc(C(C)C)n1)[C@@H](C2)C3=O ZINC000587453827 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1csc(C(C)C)n1)[C@@H](C2)C3=O ZINC000587453829 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nc4scc(C)n14)[C@@H](C2)C3=O ZINC000587453920 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nc4scc(C)n14)[C@@H](C2)C3=O ZINC000587453923 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc4sccn14)[C@@H](C2)C3=O ZINC000587454046 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)nc4sccn14)[C@@H](C2)C3=O ZINC000587454049 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc4c(s1)CCCC4)[C@@H](C2)C3=O ZINC000587454072 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4c(s1)CCCC4)[C@@H](C2)C3=O ZINC000587454073 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nc4sc(C)cn14)[C@@H](C2)C3=O ZINC000587454149 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nc4sc(C)cn14)[C@@H](C2)C3=O ZINC000587454151 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(Cl)s1)[C@@H](C2)C3=O ZINC000587454178 EH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(Cl)s1)[C@@H](C2)C3=O ZINC000587454181 EH Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCOc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587454285 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587454288 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(SC)c(OC)c1)[C@@H](C2)C3=O ZINC000587454310 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(SC)c(OC)c1)[C@@H](C2)C3=O ZINC000587454312 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(C)c(C)c41)[C@@H](C2)C3=O ZINC000587454374 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1nccs1)[C@@H](C2)C3=O ZINC000587454380 EH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1nccs1)[C@@H](C2)C3=O ZINC000587454381 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4ccc(C)c(C)c41)[C@@H](C2)C3=O ZINC000587454385 EH Annotated Anodyne CCc1ccc2c(c1)[C@]1(CCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454572 EH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454575 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cc(C)cc(C)c41)[C@@H](C2)C3=O ZINC000587454715 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cc(C)cc(C)c41)[C@@H](C2)C3=O ZINC000587454716 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(C)ccc(C)c41)[C@@H](C2)C3=O ZINC000587454807 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(C)ccc(C)c41)[C@@H](C2)C3=O ZINC000587454808 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(C)ccc41)[C@@H](C2)C3=O ZINC000587454932 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCOc4cc(C)ccc41)[C@@H](C2)C3=O ZINC000587454933 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CC(C)(C)O4)[C@@H](C2)C3=O ZINC000587455030 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CC(C)(C)O4)[C@@H](C2)C3=O ZINC000587455031 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCO[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587455427 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCO[C@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587455428 EH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCO[C@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587455429 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCO[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587455430 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4c1OC(C)(C)C4)[C@@H](C2)C3=O ZINC000587455473 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4c1OC(C)(C)C4)[C@@H](C2)C3=O ZINC000587455474 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(CBr)CC2=O ZINC000587455617 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC)(CBr)CC2=O ZINC000587455618 EH Annotated Reactive CCCc1c(O)ccc2c1OC1(CC2=O)CC(CBr)C1 ZINC000587455910 EH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc4cc(OC)ccc4o1)[C@@H](C2)C3=O ZINC000587456208 EH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)ccc4o1)[C@@H](C2)C3=O ZINC000587456209 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(C1CC1)CC2=O ZINC000587456406 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C1CC1)CC2=O ZINC000587456408 EH Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1cc4cccc(O)c4o1)[C@@H](C2)C3=O ZINC000587456472 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4cccc(O)c4o1)[C@@H](C2)C3=O ZINC000587456474 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCCBr)CC2=O ZINC000587456532 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](CCCBr)CC2=O ZINC000587456533 EH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc4cccc(OC)c4o1)[C@@H](C2)C3=O ZINC000587456890 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4cccc(OC)c4o1)[C@@H](C2)C3=O ZINC000587456891 EH Annotated Anodyne CC[C@@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587456892 EH Annotated Anodyne CC[C@@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587456893 EH Annotated Anodyne CC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587456894 EH Annotated Anodyne CC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587456895 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Br)CC2=O ZINC000587457018 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Br)CC2=O ZINC000587457019 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Br)CC2=O ZINC000587457021 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Br)CC2=O ZINC000587457026 EH Annotated Reactive COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587457154 EH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587457155 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cccn1C)CC2=O ZINC000587458614 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cccn1C)CC2=O ZINC000587458615 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(Cl)n1)CC2=O ZINC000587458651 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(Cl)n1)CC2=O ZINC000587458660 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)c(C)nn1C)CC2=O ZINC000587458893 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)c(C)nn1C)CC2=O ZINC000587458903 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Cl)cn1)CC2=O ZINC000587459487 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Cl)cn1)CC2=O ZINC000587459490 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(C(C)(C)OC)CC2=O ZINC000587459840 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(C(C)(C)OC)CC2=O ZINC000587459842 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cnn1CC)CC2=O ZINC000587459928 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cnn1CC)CC2=O ZINC000587459931 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(Br)C1 ZINC000587460088 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ncn1)CC2=O ZINC000587460148 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ncn1)CC2=O ZINC000587460150 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccccn1)CC2=O ZINC000587460409 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccccn1)CC2=O ZINC000587460414 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)CCl)c[nH]1)CC2=O ZINC000587460621 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)CCl)c[nH]1)CC2=O ZINC000587460622 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1N)CC2=O ZINC000587460740 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1N)CC2=O ZINC000587460741 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CCCl)c1C)CC2=O ZINC000587460763 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCCl)c1C)CC2=O ZINC000587460767 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(C1CCOCC1)CC2=O ZINC000587460792 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(C1CCOCC1)CC2=O ZINC000587460810 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(N)ccnc1Cl)CC2=O ZINC000587460831 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N)ccnc1Cl)CC2=O ZINC000587460833 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc(Cl)ncc1C)CC2=O ZINC000587460969 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nc(Cl)ncc1C)CC2=O ZINC000587460972 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)no1)CC2=O ZINC000587461219 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)no1)CC2=O ZINC000587461220 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CO)(c1ccccc1Cl)CC2=O ZINC000587461373 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1ccccc1Cl)CC2=O ZINC000587461375 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1Br)CC2=O ZINC000587461745 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1Br)CC2=O ZINC000587461746 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1Br)CC2=O ZINC000587461749 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccn(C)c1)CC2=O ZINC000587461751 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccn(C)c1)CC2=O ZINC000587461752 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1Br)CC2=O ZINC000587461753 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnoc1C)CC2=O ZINC000587461952 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cnoc1C)CC2=O ZINC000587461954 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)nn1)CC2=O ZINC000587462074 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)nn1)CC2=O ZINC000587462075 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncn1CC)CC2=O ZINC000587462087 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncn1CC)CC2=O ZINC000587462089 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1O)CC2=O ZINC000587462202 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1O)CC2=O ZINC000587462204 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCCl)nc1C)CC2=O ZINC000587462268 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cn(CCCl)nc1C)CC2=O ZINC000587462269 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c(C=O)c1)CC2=O ZINC000587462342 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c(C=O)c1)CC2=O ZINC000587462343 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1N)CC2=O ZINC000587462525 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1N)CC2=O ZINC000587462526 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(Cl)cc1)CC2=O ZINC000587462544 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(Cl)cc1)CC2=O ZINC000587462545 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)cc1N)CC2=O ZINC000587462797 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)cc1N)CC2=O ZINC000587462799 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc(Cl)cc1)CC2=O ZINC000587462960 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN)(c1ccc(Cl)cc1)CC2=O ZINC000587462961 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nn(C)cc1Cl)CC2=O ZINC000587462968 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nn(C)cc1Cl)CC2=O ZINC000587462969 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ncc1O)CC2=O ZINC000587463009 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ncc1O)CC2=O ZINC000587463010 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nccnc1Cl)CC2=O ZINC000587463011 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nccnc1Cl)CC2=O ZINC000587463012 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)nc(C)n1)CC2=O ZINC000587463047 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)nc(C)n1)CC2=O ZINC000587463048 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1Cl)CC2=O ZINC000587463386 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1Cl)CC2=O ZINC000587463387 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)cnn1C)CC2=O ZINC000587463557 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)cnn1C)CC2=O ZINC000587463560 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)n[nH]1)CC2=O ZINC000587464099 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)n[nH]1)CC2=O ZINC000587464100 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(C(F)F)CC2=O ZINC000587464117 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C(F)F)CC2=O ZINC000587464118 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1C(F)(F)F)CC2=O ZINC000587464141 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1C(F)(F)F)CC2=O ZINC000587464142 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccco1)([C@H](F)C#N)CC2=O ZINC000587464197 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccco1)([C@@H](F)C#N)CC2=O ZINC000587464198 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccco1)([C@H](F)C#N)CC2=O ZINC000587464199 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccco1)([C@@H](F)C#N)CC2=O ZINC000587464200 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](/C=C/OCC)(C(F)F)CC2=O ZINC000587464812 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\OCC)(C(F)F)CC2=O ZINC000587464813 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/OCC)(C(F)F)CC2=O ZINC000587464814 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\OCC)(C(F)F)CC2=O ZINC000587464815 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CC(F)F)c1)CC2=O ZINC000587464972 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC(F)F)c1)CC2=O ZINC000587464973 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)cc1F)CC2=O ZINC000587465170 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)cc1F)CC2=O ZINC000587465171 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1ccccc1F)CC2=O ZINC000587465176 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COc1ccccc1F)CC2=O ZINC000587465181 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c(F)c1)CC2=O ZINC000587465196 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)c(F)c1)CC2=O ZINC000587465198 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(F)c(F)c1)CC2=O ZINC000587465200 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(F)c(F)c1)CC2=O ZINC000587465202 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CCF)c1C)CC2=O ZINC000587465288 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCF)c1C)CC2=O ZINC000587465289 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(N)ccc1F)CC2=O ZINC000587465417 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N)ccc1F)CC2=O ZINC000587465419 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)c(F)c1)CC2=O ZINC000587465446 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)c(F)c1)CC2=O ZINC000587465447 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1N)CC2=O ZINC000587465509 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1N)CC2=O ZINC000587465510 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)O)ccc1F)CC2=O ZINC000587465520 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)ccc1F)CC2=O ZINC000587465521 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(N)cccc1F)CC2=O ZINC000587465588 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)cccc1F)CC2=O ZINC000587465589 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C(F)F)CC2=O ZINC000587465795 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C(F)F)CC2=O ZINC000587465799 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(F)cc1F)CC2=O ZINC000587465871 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncc(F)cc1F)CC2=O ZINC000587465872 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N)cc(F)cc1F)CC2=O ZINC000587465997 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N)cc(F)cc1F)CC2=O ZINC000587465999 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=O)(c1ccc(F)c(C)c1)CC2=O ZINC000587466000 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)(c1ccc(F)c(C)c1)CC2=O ZINC000587466004 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(C)cnn1CCF)CC2=O ZINC000587466122 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)cnn1CCF)CC2=O ZINC000587466123 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(C)c1C(F)F)CC2=O ZINC000587466125 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(C)c1C(F)F)CC2=O ZINC000587466127 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=O)(c1cc(F)ccc1F)CC2=O ZINC000587466418 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)(c1cc(F)ccc1F)CC2=O ZINC000587466419 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(C#N)c1)CC2=O ZINC000587466612 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(C#N)c1)CC2=O ZINC000587466615 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(C#N)ccc31)CC2=O ZINC000587466616 EH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(C#N)ccc31)CC2=O ZINC000587466617 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](COc1cccc(F)c1)CC2=O ZINC000587466726 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1cccc(F)c1)CC2=O ZINC000587466727 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccn(CC(F)F)n1)CC2=O ZINC000587466855 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccn(CC(F)F)n1)CC2=O ZINC000587466857 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=O)(c1ccc(F)c(F)c1)CC2=O ZINC000587467005 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)(c1ccc(F)c(F)c1)CC2=O ZINC000587467006 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](CN(C)C(=O)OC(C)(C)C)CC2=O ZINC000587467021 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CN(C)C(=O)OC(C)(C)C)CC2=O ZINC000587467022 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C#N)c(OC)c1)CC2=O ZINC000587467128 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#N)c(OC)c1)CC2=O ZINC000587467129 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](C1(CN(C)C)CCCC1)CC2=O ZINC000587467762 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1(CN(C)C)CCCC1)CC2=O ZINC000587467764 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cccc(C#N)c1)CC2=O ZINC000587468189 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cccc(C#N)c1)CC2=O ZINC000587468192 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)cc1O)CC2=O ZINC000587468222 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)cc1O)CC2=O ZINC000587468225 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(N)c1)CC2=O ZINC000587468331 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c(N)c1)CC2=O ZINC000587468335 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C)=O)(c1ccc(F)cc1)CC2=O ZINC000587468430 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)=O)(c1ccc(F)cc1)CC2=O ZINC000587468435 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1N)CC2=O ZINC000587468539 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1N)CC2=O ZINC000587468542 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1[N+](=O)[O-])CC2=O ZINC000587468697 EH Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1[N+](=O)[O-])CC2=O ZINC000587468699 EH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC#N)cc1)CC2=O ZINC000587468771 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC#N)cc1)CC2=O ZINC000587468776 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](Cc1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587468785 EH Annotated Bother CCCc1c(O)ccc2c1O[C@H](Cc1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587468788 EH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)CC)nc1)CC2=O ZINC000587468836 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)CC)nc1)CC2=O ZINC000587468838 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(O)c1N)CC2=O ZINC000587468911 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(O)c1N)CC2=O ZINC000587468913 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)c1cc(F)ccc1F)CC2=O ZINC000587468972 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(=O)c1cc(F)ccc1F)CC2=O ZINC000587468974 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC)c(N)c1)CC2=O ZINC000587469037 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC)c(N)c1)CC2=O ZINC000587469038 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCn1ccnc1C)CC2=O ZINC000587469377 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCn1ccnc1C)CC2=O ZINC000587469381 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1ccnc1CC)CC2=O ZINC000587469394 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1ccnc1CC)CC2=O ZINC000587469397 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1cnc(C)c1C)CC2=O ZINC000587469483 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1cnc(C)c1C)CC2=O ZINC000587469484 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)cnc1OC)CC2=O ZINC000587469541 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cnc1OC)CC2=O ZINC000587469542 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C#N)ccc1OC)CC2=O ZINC000587469614 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(C#N)ccc1OC)CC2=O ZINC000587469616 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccco1)CC2=O ZINC000587469617 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccco1)CC2=O ZINC000587469619 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCNC(=O)OC(C)(C)C)CC2=O ZINC000587469650 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCNC(=O)OC(C)(C)C)CC2=O ZINC000587469653 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnccc1N(C)C)CC2=O ZINC000587469768 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnccc1N(C)C)CC2=O ZINC000587469769 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC#N)CC2=O ZINC000587469782 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC#N)CC2=O ZINC000587469783 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3ccnc3)nc1)CC2=O ZINC000587469843 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3ccnc3)nc1)CC2=O ZINC000587469844 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1nccn1C)(C(C)C)CC2=O ZINC000587469857 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1nccn1C)(C(C)C)CC2=O ZINC000587469858 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1N(C)C)CC2=O ZINC000587469944 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1N(C)C)CC2=O ZINC000587469945 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(O)cc1)CC2=O ZINC000587469950 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(O)cc1)CC2=O ZINC000587469951 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1C#N)CC2=O ZINC000587469965 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1C#N)CC2=O ZINC000587469967 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn3c(F)cccc3n1)CC2=O ZINC000587470210 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3c(F)cccc3n1)CC2=O ZINC000587470211 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccccc2[C@H]1C#N ZINC000587470323 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccccc2[C@@H]1C#N ZINC000587470324 EH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccccc2[C@H]1C#N ZINC000587470325 EH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccccc2[C@@H]1C#N ZINC000587470326 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(C#N)cc1OC)CC2=O ZINC000587470327 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#N)cc1OC)CC2=O ZINC000587470328 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC#N)c1)CC2=O ZINC000587470349 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC#N)c1)CC2=O ZINC000587470350 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cccc(N(C)C)n1)CC2=O ZINC000587470610 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(N(C)C)n1)CC2=O ZINC000587470611 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@@H]1N=O ZINC000587470913 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@@H]1N=O ZINC000587470916 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@H]1N=O ZINC000587470919 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@H]1N=O ZINC000587470921 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ncccn1)CC2=O ZINC000587470950 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ncccn1)CC2=O ZINC000587470952 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CC#N)c1C)CC2=O ZINC000587470959 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CC#N)c1C)CC2=O ZINC000587470961 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](COc1ccc(C#N)cc1)CC2=O ZINC000587470996 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](COc1ccc(C#N)cc1)CC2=O ZINC000587470997 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(CNC(=O)OC(C)(C)C)CC2=O ZINC000587471053 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CNC(=O)OC(C)(C)C)CC2=O ZINC000587471054 EH Annotated Anodyne C=CC(=O)NC(C)(C)C[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471430 EH Annotated Anodyne C=CC(=O)NC(C)(C)C[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471431 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccncc1[N+](=O)[O-])CC2=O ZINC000587471507 EH Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccncc1[N+](=O)[O-])CC2=O ZINC000587471508 EH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(F)cn13)CC2=O ZINC000587471633 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(F)cn13)CC2=O ZINC000587471635 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(F)c1)CC2=O ZINC000587471709 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1cncc(F)c1)CC2=O ZINC000587471710 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471896 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471897 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471898 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471899 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn3cccc(F)c3n1)CC2=O ZINC000587471991 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3cccc(F)c3n1)CC2=O ZINC000587471992 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cnccn1)CC2=O ZINC000587472122 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cnccn1)CC2=O ZINC000587472123 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)oc(N)c1C#N)CC2=O ZINC000587472374 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)oc(N)c1C#N)CC2=O ZINC000587472375 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc(N)cc31)CC2=O ZINC000587472529 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc(N)cc31)CC2=O ZINC000587472530 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(N)cc31)CC2=O ZINC000587472547 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(N)cc31)CC2=O ZINC000587472548 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COc1ccc(F)cc1)CC2=O ZINC000587472624 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1ccc(F)cc1)CC2=O ZINC000587472625 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)cc1OC)CC2=O ZINC000587472700 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)cc1OC)CC2=O ZINC000587472701 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c(O)c1)CC2=O ZINC000587472714 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)c(O)c1)CC2=O ZINC000587472715 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(N)cccc31)CC2=O ZINC000587472780 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(N)cccc31)CC2=O ZINC000587472781 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c(OC)c1)CC2=O ZINC000587472788 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)c(OC)c1)CC2=O ZINC000587472789 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)c(O)cc31)CC2=O ZINC000587472827 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)c(O)cc31)CC2=O ZINC000587472828 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N)CC2=O ZINC000587472859 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N)CC2=O ZINC000587472861 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N)CC2=O ZINC000587472862 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N)CC2=O ZINC000587472864 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(N)c1)CC2=O ZINC000587472900 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(N)c1)CC2=O ZINC000587472902 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c(C#N)c1)CC2=O ZINC000587472993 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)c(C#N)c1)CC2=O ZINC000587472996 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)ccc1N)CC2=O ZINC000587473237 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(O)ccc1N)CC2=O ZINC000587473240 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1[N+](=O)[O-])CC2=O ZINC000587473254 EH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccccc1[N+](=O)[O-])CC2=O ZINC000587473256 EH Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)c1N)CC2=O ZINC000587473371 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)c1N)CC2=O ZINC000587473372 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3[nH]c(=N)oc13)CC2=O ZINC000587473434 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3[nH]c(=N)oc13)CC2=O ZINC000587473435 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1N)CC2=O ZINC000587473452 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1N)CC2=O ZINC000587473453 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(N)CC[C@@]1(C)C2(C)C ZINC000587473462 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(N)CC[C@@]1(C)C2(C)C ZINC000587473463 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc([N+](=O)[O-])c1O)CC2=O ZINC000587473566 EH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1O)CC2=O ZINC000587473567 EH Annotated Bother CCCc1c(O)ccc2c1O[C@](CC)(CC[C@H](C)[N+](=O)[O-])CC2=O ZINC000587473669 EH Annotated Bother CCCc1c(O)ccc2c1O[C@](CC)(CC[C@@H](C)[N+](=O)[O-])CC2=O ZINC000587473670 EH Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC)(CC[C@H](C)[N+](=O)[O-])CC2=O ZINC000587473671 EH Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC)(CC[C@@H](C)[N+](=O)[O-])CC2=O ZINC000587473673 EH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1N)CC2=O ZINC000587473694 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1N)CC2=O ZINC000587473695 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(O)ccc1[N+](=O)[O-])CC2=O ZINC000587473706 EH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(O)ccc1[N+](=O)[O-])CC2=O ZINC000587473707 EH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CC)c1C)CC2=O ZINC000587474084 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CC)c1C)CC2=O ZINC000587474085 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC)c1CC)CC2=O ZINC000587474124 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CC)c1CC)CC2=O ZINC000587474125 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)ncn3C)CC2=O ZINC000587474145 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)ncn3C)CC2=O ZINC000587474147 EH Annotated Anodyne C=CCn1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(C)n1 ZINC000587474161 EH Annotated Mild C=CCn1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(C)n1 ZINC000587474164 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](C(C)(C)N1CCCCC1)CC2=O ZINC000587474281 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)N1CCCCC1)CC2=O ZINC000587474283 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(C)(C)C)CC1)CC2=O ZINC000587474287 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)nn1CCC)CC2=O ZINC000587474408 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)nn1CCC)CC2=O ZINC000587474409 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn(C)c1C)CC2=O ZINC000587474440 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(C)c1C)CC2=O ZINC000587474443 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCCC1)CC2=O ZINC000587474600 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCCC1)CC2=O ZINC000587474602 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1cnn(C)c1C)CC2=O ZINC000587474678 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cnn(C)c1C)CC2=O ZINC000587474679 EH Annotated Anodyne C=CCn1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1C ZINC000587474702 EH Annotated Mild C=CCn1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1C ZINC000587474703 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](CCn1nc(C)cc1C)CC2=O ZINC000587474728 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCn1nc(C)cc1C)CC2=O ZINC000587474730 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1cnn(CC)c1)CC2=O ZINC000587474741 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cnn(CC)c1)CC2=O ZINC000587474744 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C(C)C)CC2=O ZINC000587474750 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C(C)C)CC2=O ZINC000587474753 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(CC)nn(C)c1CC)CC2=O ZINC000587474763 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(CC)nn(C)c1CC)CC2=O ZINC000587474764 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cncn3)cc1)CC2=O ZINC000587474812 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cncn3)cc1)CC2=O ZINC000587474814 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1CCN(C(C)C)CC1)CC2=O ZINC000587474869 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1CCN(C(C)C)CC1)CC2=O ZINC000587474871 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccncc3)c1)CC2=O ZINC000587474982 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccncc3)c1)CC2=O ZINC000587474983 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(CCC)c1)CC2=O ZINC000587474998 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(CCC)c1)CC2=O ZINC000587474999 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCC)c1C)CC2=O ZINC000587475014 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CCC)c1C)CC2=O ZINC000587475015 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3c1cnn3C)CC2=O ZINC000587475234 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1cnn3C)CC2=O ZINC000587475236 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1c(C)nn(C)c1C)CC2=O ZINC000587475274 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1c(C)nn(C)c1C)CC2=O ZINC000587475275 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(CC)c1C)CC2=O ZINC000587475290 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(CC)c1C)CC2=O ZINC000587475291 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3ncccc13)CC2=O ZINC000587475294 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3ncccc13)CC2=O ZINC000587475295 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nn(C)c3ccccc13)CC2=O ZINC000587475304 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nn(C)c3ccccc13)CC2=O ZINC000587475305 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccn(CC(C)C)n1)CC2=O ZINC000587475312 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccn(CC(C)C)n1)CC2=O ZINC000587475313 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC(C)C)c1)CC2=O ZINC000587475334 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CC(C)C)c1)CC2=O ZINC000587475335 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn(CC)nc1C)CC2=O ZINC000587475342 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CC)nc1C)CC2=O ZINC000587475343 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3cn(C)nc3c1)CC2=O ZINC000587475364 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3cn(C)nc3c1)CC2=O ZINC000587475365 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CC(C)C)CC1)CC2=O ZINC000587475374 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3cn(C)nc13)CC2=O ZINC000587475383 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3cn(C)nc13)CC2=O ZINC000587475385 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nn1)CC2=O ZINC000587475460 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nn1)CC2=O ZINC000587475461 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1CCCCCC1)CC2=O ZINC000587475533 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1CCCCCC1)CC2=O ZINC000587475534 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1C)CC2=O ZINC000587475710 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1C)CC2=O ZINC000587475711 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C3CC3)nn1C)CC2=O ZINC000587475742 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C3CC3)nn1C)CC2=O ZINC000587475743 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COC(C)=O)o1)CC2=O ZINC000587475769 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COC(C)=O)o1)CC2=O ZINC000587475770 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccccc3)C1)CC2=O ZINC000587476047 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccccc3)C1)CC2=O ZINC000587476049 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)ccc1OC)CC2=O ZINC000587476070 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(O)ccc1OC)CC2=O ZINC000587476071 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C1CC1)CC2=O ZINC000587476101 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C1CC1)CC2=O ZINC000587476102 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CCC)n1)CC2=O ZINC000587476190 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CCC)n1)CC2=O ZINC000587476191 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)C)n(C)n1)CC2=O ZINC000587476242 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)C)n(C)n1)CC2=O ZINC000587476243 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(C1(C(=O)OC)CCC1)CC2=O ZINC000587476306 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(C1(C(=O)OC)CCC1)CC2=O ZINC000587476307 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OCC)o1)CC2=O ZINC000587476423 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OCC)o1)CC2=O ZINC000587476426 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CC)CCC(=O)OC)CC2=O ZINC000587476435 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](CC)CCC(=O)OC)CC2=O ZINC000587476437 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CC)CCC(=O)OC)CC2=O ZINC000587476439 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](CC)CCC(=O)OC)CC2=O ZINC000587476441 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-n1cncn1)CC2=O ZINC000587476524 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-n1cncn1)CC2=O ZINC000587476530 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCN1CCCCC1)CC2=O ZINC000587476556 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCN1CCCCC1)CC2=O ZINC000587476559 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(C1CC1)CC2=O ZINC000587476739 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(C1CC1)CC2=O ZINC000587476741 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](Cc1ccccc1OC)CC2=O ZINC000587476792 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC)C(=O)OCC)CC2=O ZINC000587476798 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587476799 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](Cc1ccccc1OC)CC2=O ZINC000587476800 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](CC)C(=O)OCC)CC2=O ZINC000587476801 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587476803 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)(CC(=O)OCC)CC2=O ZINC000587476892 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(CC(=O)OCC)CC2=O ZINC000587476895 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C(=O)OCC)C(C)C)CC2=O ZINC000587476902 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C(=O)OCC)C(C)C)CC2=O ZINC000587476903 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OCC)C(C)C)CC2=O ZINC000587476906 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C(=O)OCC)C(C)C)CC2=O ZINC000587476907 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(C)C)(C(=O)OCC)CC2=O ZINC000587476950 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(C)C)(C(=O)OCC)CC2=O ZINC000587476953 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccc(OC)cc2C1 ZINC000587476954 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccc(OC)cc2C1 ZINC000587476958 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COc1ccc(OC)cc1)CC2=O ZINC000587477042 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](Cc1ccc(OC)cc1)CC2=O ZINC000587477047 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](Cc1ccc(OC)cc1)CC2=O ZINC000587477048 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1ccc(OC)cc1)CC2=O ZINC000587477052 EH Annotated Anodyne C/C=C\CC[C@@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587477069 EH Annotated Anodyne C/C=C/CC[C@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587477071 EH Annotated Anodyne C/C=C\CC[C@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587477073 EH Annotated Anodyne C/C=C/CC[C@@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587477075 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccn3)c1)CC2=O ZINC000587477104 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccn3)c1)CC2=O ZINC000587477105 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C)(C(=O)OC)CC1)CC2=O ZINC000587477150 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(=O)OCC)C1)CC2=O ZINC000587477153 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(=O)OCC)C1)CC2=O ZINC000587477154 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](C(=O)OCC)C1)CC2=O ZINC000587477155 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(=O)OCC)C1)CC2=O ZINC000587477156 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000587477241 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3nn(C)cc13)CC2=O ZINC000587477342 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3nn(C)cc13)CC2=O ZINC000587477343 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(O)c(O)cc31)CC2=O ZINC000587477398 EH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CCc3cc(O)c(O)cc31)CC2=O ZINC000587477403 EH Annotated Clean CCCc1c(O)ccc2c1O[C@H]([C@@H]1CC[C@@H](C(=O)OC)CC1)CC2=O ZINC000587477778 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CC[C@@H](C(=O)OC)CC1)CC2=O ZINC000587477781 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C(=O)OC)CC2=O ZINC000587477816 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1C(=O)OC)CC2=O ZINC000587477819 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1cn(C)nc1C)CC2=O ZINC000587477820 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cn(C)nc1C)CC2=O ZINC000587477823 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC)nc1C)CC2=O ZINC000587477903 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCC)nc1C)CC2=O ZINC000587477906 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(C)cc1C)CC2=O ZINC000587477910 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C)cc1C)CC2=O ZINC000587477911 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccn(CC3CC3)n1)CC2=O ZINC000587477934 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccn(CC3CC3)n1)CC2=O ZINC000587477935 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CC3CC3)CC1)CC2=O ZINC000587478006 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3n[nH]c(C)c31)CC2=O ZINC000587478136 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3n[nH]c(C)c31)CC2=O ZINC000587478141 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)o1)CC2=O ZINC000587478144 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)o1)CC2=O ZINC000587478147 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3cnn(C)c13)CC2=O ZINC000587478187 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3cnn(C)c13)CC2=O ZINC000587478193 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C1CCCC1)CC2=O ZINC000587478255 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2C[C@@H](C(=O)O)C[C@@H]2C1 ZINC000587478257 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C1CCCC1)CC2=O ZINC000587478259 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2CC(C(=O)O)C[C@@H]2C1 ZINC000587478262 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C1(C(=O)OCC)CCC1)CC2=O ZINC000587478263 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C1(C(=O)OCC)CCC1)CC2=O ZINC000587478266 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC(C(=O)O)C[C@H]2C1 ZINC000587478268 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)OC)[C@@H]1C)CC2=O ZINC000587478275 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](CC(=O)OC)[C@@H]1C)CC2=O ZINC000587478280 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)OC)[C@H]1C)CC2=O ZINC000587478283 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](CC(=O)OC)[C@H]1C)CC2=O ZINC000587478287 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COc1cccc(OC)c1)CC2=O ZINC000587478309 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COc1cccc(OC)c1)CC2=O ZINC000587478311 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)([C@H](C)C(=O)OC)CC2=O ZINC000587478400 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)([C@@H](C)C(=O)OC)CC2=O ZINC000587478403 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)([C@H](C)C(=O)OC)CC2=O ZINC000587478406 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H](C)C(=O)OC)CC2=O ZINC000587478409 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C(=O)O)CC2=O ZINC000587478420 EH Annotated Anodyne C=CC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478429 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C(=O)O)CC2=O ZINC000587478440 EH Annotated Anodyne C=CC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478443 EH Annotated Mild C=CC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478446 EH Annotated Mild C=CC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478449 EH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](C(=O)O)CC1)CC2=O ZINC000587478493 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(=O)O)CC1)CC2=O ZINC000587478496 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(=O)O)CC1)CC2=O ZINC000587478500 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(=O)O)CC1)CC2=O ZINC000587478504 EH Annotated Anodyne CCCCN1CCC2(CC1)CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587478531 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(C)cc1)CC2=O ZINC000587478676 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(C)cc1)CC2=O ZINC000587478688 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCC(C)(C)C(=O)O)CC2=O ZINC000587478715 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCC(C)(C)C(=O)O)CC2=O ZINC000587478717 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC)(C1CCNCC1)CC2=O ZINC000587478726 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(C1CCNCC1)CC2=O ZINC000587478729 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1(C)CC1)CC2=O ZINC000587478792 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1(C)CC1)CC2=O ZINC000587478795 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(OC)OC)(C(C)C)CC2=O ZINC000587478819 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(OC)OC)(C(C)C)CC2=O ZINC000587478832 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(OC(C)=O)CC1)CC2=O ZINC000587478902 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC[C@H](C1)N2C1CC1 ZINC000587478904 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1ccn3C)CC2=O ZINC000587478989 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1ccn3C)CC2=O ZINC000587478995 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)nc1C)CC2=O ZINC000587479060 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)nc1C)CC2=O ZINC000587479062 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@H](C)OCC)c1)CC2=O ZINC000587479082 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@@H](C)OCC)c1)CC2=O ZINC000587479083 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn([C@H](C)OCC)c1)CC2=O ZINC000587479085 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn([C@@H](C)OCC)c1)CC2=O ZINC000587479086 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCCCCC(=O)OC)CC2=O ZINC000587479164 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCCCCC(=O)OC)CC2=O ZINC000587479165 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1C(=O)OCC)CC2=O ZINC000587479270 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1C(=O)OCC)CC2=O ZINC000587479272 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1C(=O)OCC)CC2=O ZINC000587479274 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C=Cc2ccccc21 ZINC000587479363 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C=Cc2ccccc21 ZINC000587479373 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccc3)n1)CC2=O ZINC000587479388 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3)n1)CC2=O ZINC000587479391 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)[C@H]1C(=O)OCC)CC2=O ZINC000587479398 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)[C@H]1C(=O)OCC)CC2=O ZINC000587479401 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)[C@@H]1C(=O)OCC)CC2=O ZINC000587479405 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)[C@@H]1C(=O)OCC)CC2=O ZINC000587479410 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1cccn1)(C(C)C)CC2=O ZINC000587479488 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1cccn1)(C(C)C)CC2=O ZINC000587479496 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1CCCC[C@H]1C)CC2=O ZINC000587479552 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1CCCC[C@@H]1C)CC2=O ZINC000587479556 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1CCCC[C@H]1C)CC2=O ZINC000587479557 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1CCCC[C@@H]1C)CC2=O ZINC000587479560 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587479640 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587479646 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ncc[nH]1)(c1ccco1)CC2=O ZINC000587479669 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ncc[nH]1)(c1ccco1)CC2=O ZINC000587479673 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(O)ccc3C1)CC2=O ZINC000587479762 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(O)ccc3C1)CC2=O ZINC000587479766 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@H](C)OCC)CC2=O ZINC000587479908 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@@H](C)OCC)CC2=O ZINC000587479911 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@H](C)OCC)CC2=O ZINC000587479914 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@@H](C)OCC)CC2=O ZINC000587479917 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1C(=O)OCC)CC2=O ZINC000587479958 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)([C@H](C(=O)OC)C(C)C)CC2=O ZINC000587479986 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)([C@H](C(=O)OC)C(C)C)CC2=O ZINC000587479989 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(O)c1)CC2=O ZINC000587479990 EH Annotated Clean CCCc1c(O)ccc2c1O[C@](CC)([C@@H](C(=O)OC)C(C)C)CC2=O ZINC000587479993 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]ccc1C(=O)OCC)CC2=O ZINC000587479994 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(O)c1)CC2=O ZINC000587479996 EH Annotated Clean CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](C(=O)OC)C(C)C)CC2=O ZINC000587479998 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]ccc1C(=O)OCC)CC2=O ZINC000587480003 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2 ZINC000587480070 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2 ZINC000587480075 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ncc[nH]1)CC2=O ZINC000587480120 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ncc[nH]1)CC2=O ZINC000587480124 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c(C)c1C=O)CC2=O ZINC000587480238 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)C(=O)OCC)CC2=O ZINC000587480464 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)C(=O)OCC)CC2=O ZINC000587480465 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c(C)c1C=O)CC2=O ZINC000587480570 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OCC)[nH]1)CC2=O ZINC000587480598 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OCC)[nH]1)CC2=O ZINC000587480599 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)OCC)CC1)CC2=O ZINC000587480741 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(O)c3O)CC2=O ZINC000587480777 EH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(O)c3O)CC2=O ZINC000587480780 EH Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc[nH]c1C(=O)OCC)CC2=O ZINC000587480792 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc[nH]c1C(=O)OCC)CC2=O ZINC000587480795 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1CC(C)C)CC2=O ZINC000587480827 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1CC(C)C)CC2=O ZINC000587480829 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)co1)CC2=O ZINC000587480873 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OC)co1)CC2=O ZINC000587480875 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1C(=O)OC)CC2=O ZINC000587480892 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1C(=O)OC)CC2=O ZINC000587480893 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1C(=O)OC)CC2=O ZINC000587480896 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1C(=O)OC)CC2=O ZINC000587480901 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1cccn1)(C(C)(C)C)CC2=O ZINC000587480920 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1cccn1)(C(C)(C)C)CC2=O ZINC000587480934 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CC(=O)OC)CC2=O ZINC000587480992 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CC(=O)OC)CC2=O ZINC000587480994 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CC(=O)OC)CC2=O ZINC000587480996 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CC(=O)OC)CC2=O ZINC000587480997 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](COCc1ccccc1)CC2=O ZINC000587481002 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(O)ccc31)CC2=O ZINC000587481067 EH Annotated Anodyne C#CCCCO[C@H]1CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587481080 EH Annotated Mild C#CCCCO[C@H]1CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587481083 EH Annotated Mild C#CCCCO[C@@H]1CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587481086 EH Annotated Mild C#CCCCO[C@@H]1CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587481089 EH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(O)ccc31)CC2=O ZINC000587481094 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)cccc1OC)CC2=O ZINC000587481179 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)cccc1OC)CC2=O ZINC000587481182 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(=O)OCCC(C)C)CC2=O ZINC000587481435 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(=O)OCCC(C)C)CC2=O ZINC000587481438 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccccc31)CC2=O ZINC000587481487 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccccc31)CC2=O ZINC000587481497 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(C)=O)(C(C)(C)C)CC2=O ZINC000587481545 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(C)=O)(C(C)(C)C)CC2=O ZINC000587481547 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](COCc1ccccc1)CC2=O ZINC000587481576 EH Annotated Anodyne CCCC[C@@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587481597 EH Annotated Anodyne CCCC[C@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587481599 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1nc(C)no1)CC2=O ZINC000587481801 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1nc(C)no1)CC2=O ZINC000587481806 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1nc(C)no1)CC2=O ZINC000587481810 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1nc(C)no1)CC2=O ZINC000587481812 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2NCCc3cccc1c32 ZINC000587481831 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2NCCc3cccc1c32 ZINC000587481832 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2NCCc3cccc1c32 ZINC000587481833 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2NCCc3cccc1c32 ZINC000587481834 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N[C@@H]2CCCC[C@H]21 ZINC000587481888 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)N[C@@H]2CCCC[C@H]21 ZINC000587481890 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1CC1CC1)CC2=O ZINC000587482002 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1CC1CC1)CC2=O ZINC000587482003 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1CCC[C@@H](C)C1)CC2=O ZINC000587482065 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1CCC[C@H](C)C1)CC2=O ZINC000587482067 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1CCC[C@@H](C)C1)CC2=O ZINC000587482069 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1CCC[C@H](C)C1)CC2=O ZINC000587482071 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3cnn(C)c3c1)CC2=O ZINC000587482145 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3cnn(C)c3c1)CC2=O ZINC000587482147 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(O)c1)CC2=O ZINC000587482179 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(O)c1)CC2=O ZINC000587482181 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC3(C[C@H]1C)OCCO3)CC2=O ZINC000587482243 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC3(C[C@@H]1C)OCCO3)CC2=O ZINC000587482244 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC3(C[C@@H]1C)OCCO3)CC2=O ZINC000587482246 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC3(C[C@H]1C)OCCO3)CC2=O ZINC000587482248 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OCC(C)C)CC2=O ZINC000587482354 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OCC(C)C)CC2=O ZINC000587482359 EH Annotated Anodyne C=Cc1nc(C)c([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)[nH]1 ZINC000587482461 EH Annotated Anodyne C=Cc1nc(C)c([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)[nH]1 ZINC000587482487 EH Annotated Anodyne CC/C=C\CCOC(=O)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482513 EH Annotated Anodyne CC/C=C\CCOC(=O)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482517 EH Annotated Anodyne CC/C=C/CCOC(=O)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482521 EH Annotated Anodyne CC/C=C/CCOC(=O)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482523 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3cc(N)ccc13)CC2=O ZINC000587482765 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3cc(N)ccc13)CC2=O ZINC000587482768 EH Annotated Anodyne CCCC(=O)O[C@H](C)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482809 EH Annotated Anodyne CCCC(=O)O[C@@H](C)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482811 EH Annotated Anodyne CCCC(=O)O[C@H](C)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482813 EH Annotated Anodyne CCCC(=O)O[C@@H](C)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482815 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C)NC(C)(C)C1 ZINC000587482891 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OCC)co1)CC2=O ZINC000587482938 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OCC)co1)CC2=O ZINC000587482939 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(OC)c1)CC2=O ZINC000587483034 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(OC)c1)CC2=O ZINC000587483036 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CCC1)CC2=O ZINC000587483212 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CCC1)CC2=O ZINC000587483215 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)ccn1)CC2=O ZINC000587483373 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)ccn1)CC2=O ZINC000587483377 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(C(C)(C)C)no1)CC2=O ZINC000587483380 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(C(C)(C)C)no1)CC2=O ZINC000587483382 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C(C)(C)C)CC2=O ZINC000587483406 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C(C)(C)C)CC2=O ZINC000587483408 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(C)C)CC2=O ZINC000587483578 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(C)C)CC2=O ZINC000587483581 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)OC(C)(C)C)C1 ZINC000587483625 EH Annotated Anodyne CCCC[C@@]1(C(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587483646 EH Annotated Anodyne CCCC[C@]1(C(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587483652 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]nnc1-c1ccccc1)CC2=O ZINC000587483907 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]nnc1-c1ccccc1)CC2=O ZINC000587483913 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)n1)CC2=O ZINC000587483971 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)n1)CC2=O ZINC000587483976 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(/C(=C/OCC)C(C)=O)CC2=O ZINC000587484073 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(/C(=C\OCC)C(C)=O)CC2=O ZINC000587484075 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(/C(=C\OCC)C(C)=O)CC2=O ZINC000587484078 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(/C(=C/OCC)C(C)=O)CC2=O ZINC000587484080 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1O)CC2=O ZINC000587484119 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1O)CC2=O ZINC000587484121 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(=O)OC)CC1)CC2=O ZINC000587484209 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(=O)OC)CC1)CC2=O ZINC000587484210 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](C(=O)OC)CC1)CC2=O ZINC000587484212 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(=O)OC)CC1)CC2=O ZINC000587484214 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(CC(=O)OC)CC1)CC2=O ZINC000587484247 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc3ncccc13)CC2=O ZINC000587484407 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc3ncccc13)CC2=O ZINC000587484408 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C2CC3CC1CC(C2)C3=O ZINC000587484467 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(C(=O)O)c1C)CC2=O ZINC000587484538 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(C(=O)O)c1C)CC2=O ZINC000587484547 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccnc3n1)CC2=O ZINC000587484554 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)OCO3)CC2=O ZINC000587484555 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3cccnc3n1)CC2=O ZINC000587484556 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)OCO3)CC2=O ZINC000587484559 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)cnc1OC)CC2=O ZINC000587484720 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cnc1OC)CC2=O ZINC000587484726 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c(O)cc31)CC2=O ZINC000587484791 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(O)cc31)CC2=O ZINC000587484811 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3cccnc3)[nH]n1)CC2=O ZINC000587484886 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3cccnc3)[nH]n1)CC2=O ZINC000587484887 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)nc1)CC2=O ZINC000587484990 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)nc1)CC2=O ZINC000587484995 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@@H](C(=O)OCC)C1(C)C)CC2=O ZINC000587485333 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@H](C(=O)OCC)C1(C)C)CC2=O ZINC000587485334 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@@H](C(=O)OCC)C1(C)C)CC2=O ZINC000587485338 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@H](C(=O)OCC)C1(C)C)CC2=O ZINC000587485340 EH Annotated Anodyne CCCCOC(=O)C[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587485372 EH Annotated Anodyne CCCCOC(=O)C[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587485374 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccco1)CC2=O ZINC000587485449 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccco1)CC2=O ZINC000587485451 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CC(=O)OCC)CC2=O ZINC000587485478 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CC(=O)OCC)CC2=O ZINC000587485480 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CC(=O)OCC)CC2=O ZINC000587485482 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CC(=O)OCC)CC2=O ZINC000587485483 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCCC(=O)OCC)CC2=O ZINC000587485488 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCC(=O)OCC)CC2=O ZINC000587485489 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc(C)n1)CC2=O ZINC000587485557 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc(C)n1)CC2=O ZINC000587485559 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OC(C)(C)C)CC2=O ZINC000587485659 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OC(C)(C)C)CC2=O ZINC000587485660 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCOC)(C1CCOCC1)CC2=O ZINC000587485680 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCOC)(C1CCOCC1)CC2=O ZINC000587485681 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)O[C@H](C)CC)CC2=O ZINC000587485711 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)O[C@@H](C)CC)CC2=O ZINC000587485713 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)O[C@H](C)CC)CC2=O ZINC000587485715 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)O[C@@H](C)CC)CC2=O ZINC000587485718 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(C)c(C)nc1C)CC2=O ZINC000587485802 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1c(C)n[nH]c1C)CC2=O ZINC000587485805 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1c(C)n[nH]c1C)CC2=O ZINC000587485809 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(C)c(C)nc1C)CC2=O ZINC000587485811 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587485907 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CCCO[C@H]2C1(C)C ZINC000587485908 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587485910 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587485912 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC)(Cc1ccccc1)CC2=O ZINC000587485973 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC)(Cc1ccccc1)CC2=O ZINC000587485976 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(O)cc3C1)CC2=O ZINC000587485991 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(O)cc3C1)CC2=O ZINC000587485994 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(C#N)cnc31)CC2=O ZINC000587486031 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)c(C)o1)CC2=O ZINC000587486048 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)c(C)o1)CC2=O ZINC000587486053 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(C#N)cnc31)CC2=O ZINC000587486064 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](CCC#N)(c1cccnc1)CC2=O ZINC000587486118 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCC#N)(c1cccnc1)CC2=O ZINC000587486126 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cnc3cccnc3c1)CC2=O ZINC000587486153 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3cccnc3c1)CC2=O ZINC000587486157 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CC1CC1)CC2=O ZINC000587486241 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CC1CC1)CC2=O ZINC000587486243 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(O)ccc31)CC2=O ZINC000587486317 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(O)ccc31)CC2=O ZINC000587486321 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3n[nH]c(C)c3c1)CC2=O ZINC000587486707 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3n[nH]c(C)c3c1)CC2=O ZINC000587486714 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C ZINC000587486737 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(n1)NCCC3)CC2=O ZINC000587486738 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3c(n1)NCCC3)CC2=O ZINC000587486740 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C ZINC000587486744 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C ZINC000587486749 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)ccn1)CC2=O ZINC000587486806 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)ccn1)CC2=O ZINC000587486809 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncc(C)nc1C)CC2=O ZINC000587486867 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(C)nc1C)CC2=O ZINC000587486868 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(C)=O)n1)CC2=O ZINC000587486933 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(C)=O)n1)CC2=O ZINC000587486940 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccccn13)CC2=O ZINC000587487088 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccccn13)CC2=O ZINC000587487090 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]3C[C@H]1CCC3=O)CC2=O ZINC000587487129 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3C[C@H]1CCC3=O)CC2=O ZINC000587487134 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3C[C@H]1CCC3=O)CC2=O ZINC000587487137 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CP(=O)(OC)OC)CC2=O ZINC000587487140 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3C[C@H]1CCC3=O)CC2=O ZINC000587487142 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CP(=O)(OC)OC)CC2=O ZINC000587487147 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1COC3(CCCCC3)O1)CC2=O ZINC000587487291 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1COC3(CCCCC3)O1)CC2=O ZINC000587487301 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)([C@@H](C)C#N)CC2=O ZINC000587487317 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cccnc1)([C@@H](C)C#N)CC2=O ZINC000587487322 EH Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cccnc1)([C@H](C)C#N)CC2=O ZINC000587487326 EH Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cccnc1)([C@H](C)C#N)CC2=O ZINC000587487331 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccn3)[nH]n1)CC2=O ZINC000587487413 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccn3)[nH]n1)CC2=O ZINC000587487416 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)co1)CC2=O ZINC000587487422 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)co1)CC2=O ZINC000587487425 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cncc(OC)c1)CC2=O ZINC000587487507 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cncc(OC)c1)CC2=O ZINC000587487510 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1C(=O)O)CC2=O ZINC000587487627 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C(=O)O)CC2=O ZINC000587487632 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@H]21 ZINC000587487634 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 ZINC000587487638 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@H]21 ZINC000587487643 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)[C@H](OC)C12CCC2 ZINC000587487721 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C)[C@H](OC)C12CCC2 ZINC000587487724 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C)[C@@H](OC)C12CCC2 ZINC000587487726 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)[C@@H](OC)C12CCC2 ZINC000587487729 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1ccnc(OC)c1)CC2=O ZINC000587487738 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccnc(OC)c1)CC2=O ZINC000587487741 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cn1)CC2=O ZINC000587487825 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cn1)CC2=O ZINC000587487827 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3nccnc13)CC2=O ZINC000587487881 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3nccnc13)CC2=O ZINC000587487882 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNc3nc(C)ccc31)CC2=O ZINC000587488020 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNc3nc(C)ccc31)CC2=O ZINC000587488033 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc[nH]c21 ZINC000587488048 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc[nH]c21 ZINC000587488051 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2n[nH]cc21 ZINC000587488103 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2n[nH]cc21 ZINC000587488105 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN[C@H]3CCCC[C@H]31)CC2=O ZINC000587488107 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN[C@@H]3CCCC[C@H]31)CC2=O ZINC000587488110 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN[C@@H]3CCCC[C@@H]31)CC2=O ZINC000587488113 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN[C@H]3CCCC[C@@H]31)CC2=O ZINC000587488115 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1cccnc1)CC2=O ZINC000587488204 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1cccnc1)CC2=O ZINC000587488207 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nc(C)nc1C)CC2=O ZINC000587488249 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc(C)nc1C)CC2=O ZINC000587488253 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](C)O)CC2=O ZINC000587488423 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](C)O)CC2=O ZINC000587488425 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](C)O)CC2=O ZINC000587488428 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](C)O)CC2=O ZINC000587488430 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](CC(=O)O)[C@@H]1C)CC2=O ZINC000587488466 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](CC(=O)O)[C@H]1C)CC2=O ZINC000587488467 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)O)[C@@H]1C)CC2=O ZINC000587488468 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)O)[C@H]1C)CC2=O ZINC000587488469 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(c1cc(C)ccc1C)CC2=O ZINC000587488478 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1cc(C)ccc1C)CC2=O ZINC000587488479 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CO)c1)CC2=O ZINC000587488480 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CO)c1)CC2=O ZINC000587488481 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C[C@@H]1C)CC2=O ZINC000587488511 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C[C@H]1C)CC2=O ZINC000587488514 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C[C@@H]1C)CC2=O ZINC000587488516 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C[C@H]1C)CC2=O ZINC000587488518 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(OC)c1)CC2=O ZINC000587488519 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C(C)(C)C1)CC2=O ZINC000587488520 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(OC)c1)CC2=O ZINC000587488521 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C(C)(C)C1)CC2=O ZINC000587488522 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)O)C(C)(C)C1)CC2=O ZINC000587488524 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)O)C(C)(C)C1)CC2=O ZINC000587488526 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)cc1C)CC2=O ZINC000587488550 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)cc1C)CC2=O ZINC000587488551 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)[C@H](C)C1)CC2=O ZINC000587488568 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)[C@@H](C)C1)CC2=O ZINC000587488569 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)[C@H](C)C1)CC2=O ZINC000587488571 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)[C@@H](C)C1)CC2=O ZINC000587488572 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccnc1OC)CC2=O ZINC000587488625 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccnc1OC)CC2=O ZINC000587488626 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1OC)CC2=O ZINC000587488694 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1OC)CC2=O ZINC000587488696 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnccc1OCC)CC2=O ZINC000587488896 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnccc1OCC)CC2=O ZINC000587488897 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1COC(CC)(CC)O1)CC2=O ZINC000587488910 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1COC(CC)(CC)O1)CC2=O ZINC000587488911 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C)[C@H]3CCC[C@H]31)CC2=O ZINC000587489095 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C)[C@@H]3CCC[C@H]31)CC2=O ZINC000587489096 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C)[C@@H]3CCC[C@@H]31)CC2=O ZINC000587489097 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C)[C@H]3CCC[C@@H]31)CC2=O ZINC000587489099 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C13CC(C(C)=O)(C1)C3)CC2=O ZINC000587489139 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C13CC(C(C)=O)(C1)C3)CC2=O ZINC000587489140 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc(C(C)C)n1)CC2=O ZINC000587489366 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc(C(C)C)n1)CC2=O ZINC000587489367 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(=O)O)c1)CC2=O ZINC000587489389 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(=O)O)c1)CC2=O ZINC000587489390 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H](C)O)CC2=O ZINC000587489484 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H](C)O)CC2=O ZINC000587489504 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H](C)O)CC2=O ZINC000587489509 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H](C)O)CC2=O ZINC000587489513 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(C)(C)C)(C(=O)O)CC2=O ZINC000587489641 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(C)(C)C)(C(=O)O)CC2=O ZINC000587489644 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 ZINC000587489695 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 ZINC000587489705 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 ZINC000587489711 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc3c1OCCC3)CC2=O ZINC000587489712 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc3c1OCCC3)CC2=O ZINC000587489715 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)cn1)CC2=O ZINC000587489718 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 ZINC000587489721 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)cn1)CC2=O ZINC000587489723 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(COC)n1)CC2=O ZINC000587489773 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@H](C(=O)O)C1(C)C)CC2=O ZINC000587489777 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1C[C@H](C(=O)O)C1(C)C)CC2=O ZINC000587489780 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(COC)n1)CC2=O ZINC000587489784 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(CC(=O)O)CC1)CC2=O ZINC000587489841 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)n1)CC2=O ZINC000587489942 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)n1)CC2=O ZINC000587489943 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3ccccc3n1)CC2=O ZINC000587490062 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccccc3n1)CC2=O ZINC000587490064 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn3ccccc3n1)CC2=O ZINC000587490106 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn3ccccc3n1)CC2=O ZINC000587490108 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(SCC)n1C)CC2=O ZINC000587490497 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(SCC)n1C)CC2=O ZINC000587490500 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)cnc1OC)CC2=O ZINC000587490547 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)cnc1OC)CC2=O ZINC000587490549 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1OCC)CC2=O ZINC000587490591 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1OCC)CC2=O ZINC000587490592 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nccnc1CC)CC2=O ZINC000587490749 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nccnc1CC)CC2=O ZINC000587490750 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1cccc(OC)n1)CC2=O ZINC000587490762 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1cccc(OC)n1)CC2=O ZINC000587490774 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(OC)c1)CC2=O ZINC000587490971 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1cncc(OC)c1)CC2=O ZINC000587490972 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(C)(C)O)CC2=O ZINC000587491031 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1COc3ccccc3C1)CC2=O ZINC000587491037 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(C)(C)O)CC2=O ZINC000587491039 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1COc3ccccc3C1)CC2=O ZINC000587491042 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1COc3ccccc3C1)CC2=O ZINC000587491049 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1COc3ccccc3C1)CC2=O ZINC000587491056 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(C)ncc31)CC2=O ZINC000587491105 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(C)ncc31)CC2=O ZINC000587491110 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cncc3cnccc13)CC2=O ZINC000587491499 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cncc3cnccc13)CC2=O ZINC000587491500 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(C)nc1C)CC2=O ZINC000587491501 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(C)nc1C)CC2=O ZINC000587491502 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccncc1OC)CC2=O ZINC000587491507 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccncc1OC)CC2=O ZINC000587491508 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(C#N)cn13)CC2=O ZINC000587491509 EH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(C#N)cn13)CC2=O ZINC000587491510 EH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CCO[C@H]2C12CCC2 ZINC000587491843 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CCO[C@H]2C12CCC2 ZINC000587491844 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)cc(O)c1)CC2=O ZINC000587491888 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(O)cc(O)c1)CC2=O ZINC000587491889 EH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC[C@H]1CC(C(=O)O)C2 ZINC000587491902 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(C)c1O)CC2=O ZINC000587491931 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(C)c1O)CC2=O ZINC000587491932 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)CCC(=O)O)CC2=O ZINC000587491952 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)CCC(=O)O)CC2=O ZINC000587491953 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@@H](C2(C)C)[C@@]1(C)O ZINC000587491958 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2C[C@@H](C2(C)C)[C@]1(C)O ZINC000587491959 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@H](C2(C)C)[C@@]1(C)O ZINC000587491960 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@@H](C2(C)C)[C@]1(C)O ZINC000587491961 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@@H](C2(C)C)[C@]1(C)O ZINC000587491962 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2C[C@@H](C2(C)C)[C@]1(C)O ZINC000587491963 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@@H](C2(C)C)[C@@]1(C)O ZINC000587491964 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H](C2(C)C)[C@@]1(C)O ZINC000587491965 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(O)ccc31)CC2=O ZINC000587492056 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(O)ccc31)CC2=O ZINC000587492063 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(COC)n1)CC2=O ZINC000587492150 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(COC)n1)CC2=O ZINC000587492157 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)s1)CC2=O ZINC000587492228 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)s1)CC2=O ZINC000587492258 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)cc1)CC2=O ZINC000587492682 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)cc1)CC2=O ZINC000587492686 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC1(C(=O)O)CCC1)CC2=O ZINC000587492740 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC1(C(=O)O)CCC1)CC2=O ZINC000587492742 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(C)(C)CC(=O)O)CC2=O ZINC000587492745 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(C)(C)CC(=O)O)CC2=O ZINC000587492750 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn3c(n1)CCCC3)CC2=O ZINC000587492765 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn3c(n1)CCCC3)CC2=O ZINC000587492768 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(C)cc1)CC2=O ZINC000587492941 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(C)cc1)CC2=O ZINC000587492947 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1scc3c1OCCO3)CC2=O ZINC000587492969 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1scc3c1OCCO3)CC2=O ZINC000587492971 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCCCC1OCCO1)CC2=O ZINC000587493127 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCCCC1OCCO1)CC2=O ZINC000587493129 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(SC)n1)CC2=O ZINC000587493220 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(SC)n1)CC2=O ZINC000587493222 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(O)cc31)CC2=O ZINC000587493229 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(O)cc31)CC2=O ZINC000587493232 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccsc1C(=O)OC)CC2=O ZINC000587493320 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccsc1C(=O)OC)CC2=O ZINC000587493322 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)s1)CC2=O ZINC000587493770 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)s1)CC2=O ZINC000587493776 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(O)nc1C)CC2=O ZINC000587493858 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(O)nc1C)CC2=O ZINC000587493860 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](C)O)CC2=O ZINC000587493864 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](C)O)CC2=O ZINC000587493869 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](C)O)CC2=O ZINC000587493870 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](C)O)CC2=O ZINC000587493872 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(=N)[nH]c1Cl)CC2=O ZINC000587493886 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(=N)[nH]c1Cl)CC2=O ZINC000587493891 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(O)nc1Cl)CC2=O ZINC000587493906 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(O)nc1Cl)CC2=O ZINC000587493907 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(N(C)C)nc1C)CC2=O ZINC000587494296 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(N(C)C)nc1C)CC2=O ZINC000587494299 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc(SC)n1)CC2=O ZINC000587494446 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc(SC)n1)CC2=O ZINC000587494449 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)O)cs1)CC2=O ZINC000587494507 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)cs1)CC2=O ZINC000587494509 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nsc1N)CC2=O ZINC000587494848 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nsc1N)CC2=O ZINC000587494850 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(CN(C)C)s1)CC2=O ZINC000587494879 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(CN(C)C)s1)CC2=O ZINC000587494889 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sccc1C(=O)O)CC2=O ZINC000587495342 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sccc1C(=O)O)CC2=O ZINC000587495343 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)cs1)CC2=O ZINC000587495357 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)cs1)CC2=O ZINC000587495359 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1csc(C(=O)O)c1)CC2=O ZINC000587495360 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1csc(C(=O)O)c1)CC2=O ZINC000587495361 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)cs1)CC2=O ZINC000587495443 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)cs1)CC2=O ZINC000587495445 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(N(C)C)s1)CC2=O ZINC000587495450 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N(C)C)s1)CC2=O ZINC000587495452 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc([C@H](C)O)s1)CC2=O ZINC000587495465 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc([C@@H](C)O)s1)CC2=O ZINC000587495468 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc([C@H](C)O)s1)CC2=O ZINC000587495472 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc([C@@H](C)O)s1)CC2=O ZINC000587495479 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cscn1)CC2=O ZINC000587495862 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cscn1)CC2=O ZINC000587495863 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ncc(COC)s1)CC2=O ZINC000587495886 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(COC)s1)CC2=O ZINC000587495889 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3scnc31)CC2=O ZINC000587496003 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3scnc31)CC2=O ZINC000587496012 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(CCOC)s1)CC2=O ZINC000587496128 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(CCOC)s1)CC2=O ZINC000587496134 EH Annotated Anodyne C[C@]1(c2cc(Cl)ncn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496254 EH Annotated Anodyne C[C@@]1(c2cc(Cl)ncn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496255 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sccc1C(=O)OC)CC2=O ZINC000587496284 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sccc1C(=O)OC)CC2=O ZINC000587496285 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccsc1C(=O)O)CC2=O ZINC000587496359 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccsc1C(=O)O)CC2=O ZINC000587496360 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)s1)CC2=O ZINC000587496626 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)s1)CC2=O ZINC000587496628 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)CCC3)CC2=O ZINC000587496706 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)CCC3)CC2=O ZINC000587496707 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](OC)c1cncs1)CC2=O ZINC000587496710 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](OC)c1cncs1)CC2=O ZINC000587496711 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](OC)c1cncs1)CC2=O ZINC000587496712 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](OC)c1cncs1)CC2=O ZINC000587496713 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(OCC)s1)CC2=O ZINC000587496834 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(OCC)s1)CC2=O ZINC000587496836 EH Annotated Anodyne C[C@]1(c2nccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496893 EH Annotated Anodyne C[C@@]1(c2nccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496895 EH Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)on1 ZINC000587496904 EH Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)on1 ZINC000587496909 EH Annotated Reactive Cc1nn(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497069 EH Annotated Anodyne Cc1nn(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497070 EH Annotated Anodyne COC1=COC(CCl)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497211 EH Annotated Reactive COC1=COC(CCl)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497214 EH Annotated Reactive O=C1C[C@@H](c2cnn(CCCl)c2)Oc2c1ccc1c2CCCC1 ZINC000587497268 EH Annotated Reactive O=C1C[C@H](c2cnn(CCCl)c2)Oc2c1ccc1c2CCCC1 ZINC000587497269 EH Annotated Reactive CC(C)OC1=C(Cl)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587497815 EH Annotated Mild CC(C)OC1=C(Cl)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587497818 EH Annotated Mild COc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C ZINC000587497852 EH Annotated Anodyne COc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C ZINC000587497853 EH Annotated Anodyne Cc1nn(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587497939 EH Annotated Anodyne Cc1nn(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587497944 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc([C@H](C)O)s1)CC2=O ZINC000587498101 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc([C@@H](C)O)s1)CC2=O ZINC000587498103 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc([C@H](C)O)s1)CC2=O ZINC000587498105 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc([C@@H](C)O)s1)CC2=O ZINC000587498108 EH Annotated Anodyne C[C@]1(c2ccnc(Cl)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498430 EH Annotated Anodyne C[C@@]1(c2ccnc(Cl)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498431 EH Annotated Anodyne Nc1ccnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498533 EH Annotated Anodyne Nc1ccnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498539 EH Annotated Anodyne C[C@]1(c2cnc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499023 EH Annotated Anodyne C[C@@]1(c2cnc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499024 EH Annotated Anodyne C[C@]1(c2ccc(Cl)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499105 EH Annotated Anodyne C[C@@]1(c2ccc(Cl)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499106 EH Annotated Anodyne O=C1C[C@](CCl)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587499960 EH Annotated Reactive O=C1C[C@@](CCl)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587499966 EH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Sc2ccccc21 ZINC000587500150 EH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Sc2ccccc21 ZINC000587500152 EH Annotated Anodyne O=Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587500229 EH Annotated Reactive O=Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587500230 EH Annotated Reactive Cc1oncc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500271 EH Annotated Reactive Cc1oncc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500272 EH Annotated Reactive O=C1C[C@@](C(=O)O)(c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587500348 EH Annotated Anodyne O=C1C[C@](C(=O)O)(c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587500352 EH Annotated Anodyne Cn1cc(Cl)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587500361 EH Annotated Anodyne Cn1cc(Cl)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587500364 EH Annotated Anodyne CN(C)C(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587500996 EH Annotated Anodyne CN(C)C(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501002 EH Annotated Anodyne NC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501035 EH Annotated Anodyne Nc1ncc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501037 EH Annotated Anodyne Nc1ncc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501039 EH Annotated Anodyne NC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501060 EH Annotated Anodyne O=C1C[C@@H](c2n[nH]cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587501239 EH Annotated Anodyne O=C1C[C@H](c2n[nH]cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587501244 EH Annotated Anodyne CC(C)OC1=C(Cl)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501321 EH Annotated Mild CC(C)OC1=C(Cl)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501324 EH Annotated Mild C=CCN(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC ZINC000587501350 EH Annotated Mild C=CCN(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC ZINC000587501354 EH Annotated Mild CCOC(=O)[C@H](F)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501486 EH Annotated Anodyne CCOC(=O)[C@@H](F)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501495 EH Annotated Anodyne CCOC(=O)[C@@H](F)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501498 EH Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501502 EH Annotated Anodyne Cn1ncc(Cl)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501580 EH Annotated Anodyne Cn1ncc(Cl)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501584 EH Annotated Anodyne O=C1C[C@](CO)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501945 EH Annotated Anodyne O=C1C[C@@](CO)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501947 EH Annotated Anodyne N#CC[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502116 EH Annotated Mild N#CC[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502133 EH Annotated Mild Nc1nc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502422 EH Annotated Anodyne Nc1nc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502426 EH Annotated Anodyne Nc1cc(Cl)ncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503020 EH Annotated Anodyne Nc1cc(Cl)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503022 EH Annotated Anodyne Cc1c([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587503429 EH Annotated Anodyne Cc1c([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587503513 EH Annotated Anodyne CN(C)C(=O)C[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503675 EH Annotated Anodyne CN(C)C(=O)C[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503676 EH Annotated Anodyne CN(C)C(=O)C[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503677 EH Annotated Anodyne CN(C)C(=O)C[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503678 EH Annotated Anodyne CCN(CC)C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503823 EH Annotated Anodyne CCN(CC)C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503826 EH Annotated Anodyne COc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587503953 EH Annotated Anodyne COc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587503954 EH Annotated Anodyne COc1ncc(F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504223 EH Annotated Anodyne COc1ncc(F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504225 EH Annotated Anodyne N#CC[C@]1([C@@H]2CCCOC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505281 EH Annotated Mild N#CC[C@]1([C@H]2CCCOC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505284 EH Annotated Mild N#CC[C@@]1([C@@H]2CCCOC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505286 EH Annotated Mild N#CC[C@@]1([C@H]2CCCOC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505289 EH Annotated Mild Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)F)n1 ZINC000587505482 EH Annotated Anodyne Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)F)n1 ZINC000587505485 EH Annotated Anodyne Cc1nn(C)cc1[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505519 EH Annotated Anodyne Cc1nn(C)cc1[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505522 EH Annotated Anodyne O=C1C[C@@H](c2ccn(CC(F)F)n2)Oc2c1ccc1c2CCCC1 ZINC000587505546 EH Annotated Anodyne O=C1C[C@H](c2ccn(CC(F)F)n2)Oc2c1ccc1c2CCCC1 ZINC000587505552 EH Annotated Anodyne Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CCF ZINC000587505581 EH Annotated Anodyne Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CCF ZINC000587505590 EH Annotated Anodyne O=C[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506007 EH Annotated Mild O=C[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506008 EH Annotated Mild O=C1C[C@](CO)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587506053 EH Annotated Anodyne O=C1C[C@@](CO)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587506054 EH Annotated Anodyne O=C1C[C@](CO)(Cc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506234 EH Annotated Anodyne O=C1C[C@@](CO)(Cc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506250 EH Annotated Anodyne Cn1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C(F)F ZINC000587506285 EH Annotated Anodyne Cn1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C(F)F ZINC000587506291 EH Annotated Anodyne N=c1cc[nH]cc1[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507078 EH Annotated Anodyne N=c1cc[nH]cc1[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507081 EH Annotated Anodyne O=C1C[C@H](c2ccc([N+](=O)[O-])c(O)c2)Oc2c1ccc1c2CCCC1 ZINC000587507091 EH Annotated Bother O=C1C[C@@H](c2ccc([N+](=O)[O-])c(O)c2)Oc2c1ccc1c2CCCC1 ZINC000587507092 EH Annotated Bother Nc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587507111 EH Annotated Bother Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587507112 EH Annotated Bother N=c1[nH]c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 ZINC000587507201 EH Annotated Anodyne N=c1[nH]c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 ZINC000587507206 EH Annotated Anodyne O=C1C[C@@](C(=O)O)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507282 EH Annotated Anodyne O=C1C[C@](C(=O)O)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507284 EH Annotated Anodyne N=c1[nH]c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2o1 ZINC000587507336 EH Annotated Anodyne N=c1[nH]c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2o1 ZINC000587507338 EH Annotated Anodyne O=C1CC2(CCN(CC(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587507505 EH Annotated Anodyne N=c1[nH]ccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507694 EH Annotated Anodyne N=c1[nH]ccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507711 EH Annotated Anodyne N#C[C@@H](F)[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508196 EH Annotated Mild N#C[C@H](F)[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508197 EH Annotated Mild N#C[C@H](F)[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508198 EH Annotated Mild N#C[C@@H](F)[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508199 EH Annotated Mild CN(C)/C=C/[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508238 EH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)ccc12 ZINC000587508242 EH Annotated Anodyne CN(C)/C=C/[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508250 EH Annotated Anodyne O=C[C@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508258 EH Annotated Mild O=C[C@@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508263 EH Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)ccc12 ZINC000587508270 EH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cccc12 ZINC000587508596 EH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cccc12 ZINC000587508602 EH Annotated Anodyne NC1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508814 EH Annotated Anodyne NC1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508821 EH Annotated Anodyne CC(=O)Nc1cnccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508837 EH Annotated Anodyne CC(=O)Nc1cnccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508839 EH Annotated Anodyne O=C1C[C@H](c2cc(O)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587508937 EH Annotated Bother O=C1C[C@@H](c2cc(O)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587508938 EH Annotated Bother C[C@@]1(c2ccc3oc(=N)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508955 EH Annotated Anodyne C[C@]1(c2ccc3oc(=N)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508956 EH Annotated Anodyne O=C1C[C@@H](c2cnn(CC(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508974 EH Annotated Anodyne O=C1C[C@H](c2cnn(CC(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508975 EH Annotated Anodyne Cn1nc(C(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587508990 EH Annotated Anodyne Cn1nc(C(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587508991 EH Annotated Anodyne Cc1cnn(CCF)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509012 EH Annotated Anodyne Cc1cnn(CCF)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509013 EH Annotated Anodyne N#Cc1ccc(OC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509118 EH Annotated Mild N#Cc1ccc(OC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509121 EH Annotated Mild C[C@H](O)[C@]1(c2ccc(C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509287 EH Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(F)cc12 ZINC000587509451 EH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(F)cc12 ZINC000587509452 EH Annotated Anodyne C[C@@H](O)[C@@]1(c2ccc(C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509457 EH Annotated Mild C[C@@H](O)[C@]1(c2ccc(C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509461 EH Annotated Mild C[C@H](O)[C@@]1(c2ccc(C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509466 EH Annotated Mild CN(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C ZINC000587509507 EH Annotated Anodyne CN(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C ZINC000587509512 EH Annotated Anodyne C[C@@]1(c2cccc(NC(=N)N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509525 EH Annotated Anodyne C[C@]1(c2cccc(NC(=N)N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509542 EH Annotated Anodyne COc1ccc2c(c1N)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509620 EH Annotated Anodyne COc1ccc2c(c1N)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509625 EH Annotated Anodyne C[C@@]1(c2ccc(NC(=N)N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509681 EH Annotated Anodyne C[C@]1(c2ccc(NC(=N)N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509682 EH Annotated Anodyne CCn1cc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587509895 EH Annotated Anodyne CCn1cc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587509896 EH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(F)c12 ZINC000587509990 EH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(F)c12 ZINC000587509991 EH Annotated Anodyne O=C1C[C@](CBr)(C(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510158 EH Annotated Reactive O=C1C[C@@](CBr)(C(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510166 EH Annotated Reactive O=C1C[C@@H](c2[nH]nc3ncc(F)cc23)Oc2c1ccc1c2CCCC1 ZINC000587510171 EH Annotated Anodyne O=C1C[C@H](c2[nH]nc3ncc(F)cc23)Oc2c1ccc1c2CCCC1 ZINC000587510181 EH Annotated Anodyne Cn1ccnc1[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510415 EH Annotated Anodyne Cn1ccnc1[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510419 EH Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510932 EH Annotated Anodyne CN(C)/C=C/[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510933 EH Annotated Anodyne O=C1C[C@H](c2cc(O)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510942 EH Annotated Bother O=C1C[C@@H](c2cc(O)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510944 EH Annotated Bother O=C1C[C@@H](c2cccc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 ZINC000587511121 EH Annotated Bother O=C1C[C@H](c2cccc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 ZINC000587511122 EH Annotated Bother CC(C)Nc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587511206 EH Annotated Anodyne CC(C)Nc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587511209 EH Annotated Anodyne CC(=O)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511212 EH Annotated Anodyne CC(=O)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511214 EH Annotated Anodyne Nc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511417 EH Annotated Anodyne Nc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511423 EH Annotated Anodyne CC(C)(C)OC(=O)NCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511436 EH Annotated Anodyne CC(C)(C)OC(=O)NCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511439 EH Annotated Anodyne O=C1C[C@@H](c2cccn2-c2ncccn2)Oc2c1ccc1c2CCCC1 ZINC000587511528 EH Annotated Anodyne O=C1C[C@H](c2cccn2-c2ncccn2)Oc2c1ccc1c2CCCC1 ZINC000587511529 EH Annotated Anodyne O=C1C[C@H](c2ccc(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587511586 EH Annotated Bother O=C1C[C@@H](c2ccc(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587511588 EH Annotated Bother C=CC[C@@]1(CNC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511641 EH Annotated Mild C=CC[C@]1(CNC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511642 EH Annotated Mild O=C1C[C@](C[N+](=O)[O-])(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587511811 EH Annotated Bother O=C1C[C@@](C[N+](=O)[O-])(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587511813 EH Annotated Bother C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511828 EH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511831 EH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511833 EH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511835 EH Annotated Anodyne O=C1CC2(CCN(c3ccncc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587511959 EH Annotated Anodyne C[C@@]1(c2cccc3oc(=N)[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512120 EH Annotated Anodyne C[C@]1(c2cccc3oc(=N)[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512122 EH Annotated Anodyne Nc1cccc2c1OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512229 EH Annotated Anodyne Nc1cccc2c1OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512231 EH Annotated Anodyne C[C@@]1(c2ccncc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512238 EH Annotated Bother C[C@]1(c2ccncc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512240 EH Annotated Bother Cc1oc(N)c(C#N)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512284 EH Annotated Mild Cc1oc(N)c(C#N)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512285 EH Annotated Mild C[C@@]1(c2cccc3[nH]c(=N)oc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512286 EH Annotated Anodyne C[C@]1(c2cccc3[nH]c(=N)oc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512288 EH Annotated Anodyne N=c1[nH]oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587512308 EH Annotated Anodyne N=c1[nH]oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587512311 EH Annotated Anodyne C[C@@H](C(=O)O)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512327 EH Annotated Anodyne C[C@@H](C(=O)O)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512335 EH Annotated Anodyne C[C@@]1(c2ccc(N)c(C#N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512391 EH Annotated Mild C[C@]1(c2ccc(N)c(C#N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512395 EH Annotated Mild O=C1C[C@H](c2cc([N+](=O)[O-])ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587512476 EH Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587512477 EH Annotated Bother Nc1ccc2c(c1)[C@]1(C=CO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512577 EH Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=CO2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512578 EH Annotated Anodyne N=c1[nH]c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2o1 ZINC000587512602 EH Annotated Anodyne N=c1[nH]c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2o1 ZINC000587512603 EH Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512633 EH Annotated Anodyne CN(C)/C=C/[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512634 EH Annotated Anodyne C[C@@]1(c2ncccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512936 EH Annotated Bother C[C@]1(c2ncccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512937 EH Annotated Bother N#CCc1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1 ZINC000587513100 EH Annotated Mild N#CCc1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1 ZINC000587513105 EH Annotated Mild O=C1CC2(CCN(CC3CC3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587513185 EH Annotated Anodyne COc1cccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587513284 EH Annotated Anodyne COc1cccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587513294 EH Annotated Anodyne C[C@@]1(c2cn3c(n2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513358 EH Annotated Anodyne C[C@]1(c2cn3c(n2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513360 EH Annotated Anodyne Cc1nn(C)c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587513507 EH Annotated Anodyne Cc1nn(C)c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587513508 EH Annotated Anodyne O=C1C[C@@H](c2cnn(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587513515 EH Annotated Anodyne O=C1C[C@H](c2cnn(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587513516 EH Annotated Anodyne N#Cc1ccc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587513603 EH Annotated Mild N#Cc1ccc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587513609 EH Annotated Mild C[C@@]1(c2cccc(C(=O)O)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513662 EH Annotated Anodyne CC(=O)NC(C)(C)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513667 EH Annotated Anodyne C[C@]1(c2cccc(C(=O)O)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513668 EH Annotated Anodyne CC(=O)NC(C)(C)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513670 EH Annotated Anodyne COc1cc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccn1 ZINC000587513698 EH Annotated Anodyne COc1cc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccn1 ZINC000587513700 EH Annotated Anodyne CNC(=O)C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513792 EH Annotated Anodyne CNC(=O)C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513795 EH Annotated Anodyne COCCn1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513830 EH Annotated Anodyne COCCn1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513841 EH Annotated Anodyne CNC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513931 EH Annotated Anodyne CNC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513932 EH Annotated Anodyne O=C1C[C@@]2(Cc3cccc([N+](=O)[O-])c3C2)Oc2c1ccc1c2CCCC1 ZINC000587513964 EH Annotated Bother O=C1C[C@]2(Cc3cccc([N+](=O)[O-])c3C2)Oc2c1ccc1c2CCCC1 ZINC000587513965 EH Annotated Bother O=C1C[C@H](c2cnc3n2C=CCC3=O)Oc2c1ccc1c2CCCC1 ZINC000587514062 EH Annotated Anodyne O=C1C[C@@H](c2cnc3n2C=CCC3=O)Oc2c1ccc1c2CCCC1 ZINC000587514066 EH Annotated Anodyne C=CC(=O)NC(C)(C)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514171 EH Annotated Anodyne C=CC(=O)NC(C)(C)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514172 EH Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCCC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587514208 EH Annotated Anodyne O=C1C[C@H](c2cnc(N3CCCC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587514211 EH Annotated Anodyne O=C1C[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)Oc2c1ccc1c2CCCC1 ZINC000587514305 EH Annotated Bother O=C1C[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)Oc2c1ccc1c2CCCC1 ZINC000587514308 EH Annotated Bother O=C1C[C@@H](c2cccn2-c2cnccn2)Oc2c1ccc1c2CCCC1 ZINC000587514353 EH Annotated Anodyne O=C1C[C@H](c2cccn2-c2cnccn2)Oc2c1ccc1c2CCCC1 ZINC000587514356 EH Annotated Anodyne O=C1C[C@H](c2ccc([N+](=O)[O-])cc2O)Oc2c1ccc1c2CCCC1 ZINC000587514572 EH Annotated Bother O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2O)Oc2c1ccc1c2CCCC1 ZINC000587514578 EH Annotated Bother CCn1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587514632 EH Annotated Mild CCn1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587514634 EH Annotated Mild O=C1CC2(CCN(c3ccccn3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587514863 EH Annotated Anodyne CC(=O)Nc1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514888 EH Annotated Anodyne CC(=O)Nc1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514889 EH Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514907 EH Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514909 EH Annotated Anodyne CC(C)(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515281 EH Annotated Anodyne CC(C)(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515283 EH Annotated Anodyne Cn1cnc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 ZINC000587515323 EH Annotated Anodyne Cn1cnc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 ZINC000587515324 EH Annotated Anodyne CCc1nn(C)c(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515365 EH Annotated Anodyne CCc1nn(C)c(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515366 EH Annotated Anodyne C[C@@]1(c2ccc(C(=O)O)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515469 EH Annotated Anodyne C[C@]1(c2ccc(C(=O)O)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515470 EH Annotated Anodyne Cn1cnc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 ZINC000587515693 EH Annotated Anodyne Cn1cnc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 ZINC000587515694 EH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515943 EH Annotated Mild Cc1nn(C)c(C)c1[C@@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515944 EH Annotated Mild COc1cncc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516086 EH Annotated Anodyne COc1cncc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516088 EH Annotated Anodyne COCCCn1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516247 EH Annotated Anodyne COCCCn1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516248 EH Annotated Anodyne COc1cncc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587516428 EH Annotated Anodyne COc1cncc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587516429 EH Annotated Anodyne O=C1CC2(CCC(n3cnnc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587516483 EH Annotated Anodyne C[C@@H](C#N)[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516534 EH Annotated Mild C[C@@H](C#N)[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516536 EH Annotated Mild C[C@H](C#N)[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516537 EH Annotated Mild C[C@H](C#N)[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516539 EH Annotated Mild O=C1C[C@@H](c2ccc(-n3ccnc3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587516812 EH Annotated Anodyne O=C1C[C@H](c2ccc(-n3ccnc3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587516813 EH Annotated Anodyne CCn1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516820 EH Annotated Mild CCn1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516821 EH Annotated Mild CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517095 EH Annotated Anodyne CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1C1CC1 ZINC000587517140 EH Annotated Anodyne CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1C1CC1 ZINC000587517141 EH Annotated Anodyne CC(C)(C)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587517150 EH Annotated Anodyne CC(C)(C)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587517151 EH Annotated Anodyne O=C1C[C@@H](c2ccccc2-n2cncn2)Oc2c1ccc1c2CCCC1 ZINC000587517168 EH Annotated Anodyne O=C1C[C@H](c2ccccc2-n2cncn2)Oc2c1ccc1c2CCCC1 ZINC000587517169 EH Annotated Anodyne O=C1C[C@@H](c2cnn(-c3ccncc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517304 EH Annotated Anodyne O=C1C[C@H](c2cnn(-c3ccncc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517305 EH Annotated Anodyne O=C1C[C@@H](c2ccc(-n3cncn3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517330 EH Annotated Anodyne O=C1C[C@H](c2ccc(-n3cncn3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517331 EH Annotated Anodyne O=C1C[C@@H](c2cnn(-c3ccccn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517360 EH Annotated Anodyne O=C1C[C@H](c2cnn(-c3ccccn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517361 EH Annotated Anodyne Cn1nnc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587517376 EH Annotated Anodyne Cn1nnc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587517377 EH Annotated Anodyne C[C@@]1(Cn2nnc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517460 EH Annotated Anodyne C[C@]1(Cn2nnc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517461 EH Annotated Anodyne O=C1C[C@@H](c2cccc(-n3cncn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517566 EH Annotated Anodyne O=C1C[C@H](c2cccc(-n3cncn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517567 EH Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nn2)Oc2c1ccc1c2CCCC1 ZINC000587517796 EH Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nn2)Oc2c1ccc1c2CCCC1 ZINC000587517797 EH Annotated Anodyne CC(C)C[C@@]1(c2ncnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517857 EH Annotated Anodyne CC(C)C[C@]1(c2ncnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517858 EH Annotated Anodyne CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]2CCC[C@@H]21 ZINC000587518396 EH Annotated Anodyne CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]2CCC[C@H]21 ZINC000587518397 EH Annotated Anodyne CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]2CCC[C@H]21 ZINC000587518398 EH Annotated Anodyne CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]2CCC[C@@H]21 ZINC000587518399 EH Annotated Anodyne Cc1nc(O)c(C#N)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518467 EH Annotated Mild Cc1nc(O)c(C#N)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518468 EH Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1OC ZINC000587518612 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1OC ZINC000587518613 EH Annotated Anodyne Cn1c(=O)oc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587518665 EH Annotated Anodyne Cn1c(=O)oc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587518666 EH Annotated Anodyne Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C ZINC000587518684 EH Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C ZINC000587518685 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1 ZINC000587518706 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1 ZINC000587518707 EH Annotated Anodyne CN1[C@H]2CCC[C@H]1CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518724 EH Annotated Anodyne CN1[C@H]2CCC[C@@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518725 EH Annotated Anodyne CN1[C@H]2CCC[C@@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518726 EH Annotated Anodyne CN1C(=O)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518770 EH Annotated Anodyne CN1C(=O)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518771 EH Annotated Anodyne Cc1cccc2c1N(C)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518855 EH Annotated Anodyne Cc1cccc2c1N(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518856 EH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1OC ZINC000587518968 EH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1OC ZINC000587518969 EH Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518992 EH Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518993 EH Annotated Anodyne C[C@@]1(c2cccnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519012 EH Annotated Anodyne C[C@]1(c2cccnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519013 EH Annotated Anodyne O=C1C[C@@H](Cn2c(=O)oc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587519196 EH Annotated Anodyne O=C1C[C@H](Cn2c(=O)oc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587519197 EH Annotated Anodyne CCOC(=O)[C@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520420 EH Annotated Anodyne CCOC(=O)[C@@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520421 EH Annotated Anodyne CC(=O)OC[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520564 EH Annotated Anodyne CC(=O)OC[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520565 EH Annotated Anodyne CCOC(=O)C[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520694 EH Annotated Anodyne CCOC(=O)C[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520698 EH Annotated Anodyne COC(=O)C[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520700 EH Annotated Anodyne COC(=O)C[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520704 EH Annotated Anodyne COC(C[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587520914 EH Annotated Anodyne COC(C[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587520926 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587520991 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587520993 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587520995 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587520996 EH Annotated Anodyne CC(C)COC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521036 EH Annotated Anodyne CC(C)COC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521037 EH Annotated Anodyne O=C1C[C@](c2ccccc2)(c2nc[nH]n2)Oc2c1ccc1c2CCCC1 ZINC000587521099 EH Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2nc[nH]n2)Oc2c1ccc1c2CCCC1 ZINC000587521102 EH Annotated Anodyne Cc1ccc2c(n1)NCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521165 EH Annotated Anodyne Cc1ccc2c(n1)NCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521180 EH Annotated Anodyne Cc1ccc(C)c2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521235 EH Annotated Anodyne Cc1ccc(C)c2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521243 EH Annotated Anodyne Cc1cccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521244 EH Annotated Anodyne Cc1cccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521250 EH Annotated Anodyne COC(=O)C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1C ZINC000587521295 EH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1C ZINC000587521297 EH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1C ZINC000587521298 EH Annotated Anodyne COC(=O)C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1C ZINC000587521300 EH Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521370 EH Annotated Anodyne COC(=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521376 EH Annotated Anodyne CCc1cccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521433 EH Annotated Anodyne CCc1cccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521438 EH Annotated Anodyne O=C1C[C@@](CO)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587521459 EH Annotated Anodyne O=C1C[C@](CO)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587521471 EH Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521588 EH Annotated Anodyne CCOC(=O)[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521590 EH Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521592 EH Annotated Anodyne CCOC(=O)[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521594 EH Annotated Anodyne CC(C)CCOC(=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521731 EH Annotated Anodyne CC(C)CCOC(=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521732 EH Annotated Anodyne C[C@H]1Nc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587521890 EH Annotated Anodyne C[C@H]1Nc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587521895 EH Annotated Anodyne C[C@@H]1Nc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587521897 EH Annotated Anodyne C[C@@H]1Nc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587521901 EH Annotated Anodyne O=C1C[C@@H](c2ccnc3c2OCCC3)Oc2c1ccc1c2CCCC1 ZINC000587521952 EH Annotated Anodyne O=C1C[C@H](c2ccnc3c2OCCC3)Oc2c1ccc1c2CCCC1 ZINC000587521988 EH Annotated Anodyne O=C1C[C@@H](c2cccc(OCCO)c2)Oc2c1ccc1c2CCCC1 ZINC000587522089 EH Annotated Anodyne O=C1C[C@H](c2cccc(OCCO)c2)Oc2c1ccc1c2CCCC1 ZINC000587522102 EH Annotated Anodyne CCOC(=O)c1[nH]ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522310 EH Annotated Anodyne CCOC(=O)c1[nH]ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522313 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587522865 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587522870 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587522871 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587522872 EH Annotated Anodyne CCOC(=O)C[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522926 EH Annotated Anodyne CCOC(=O)C[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522927 EH Annotated Anodyne COCCOC[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523033 EH Annotated Anodyne COCCOC[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523037 EH Annotated Anodyne Cc1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587523054 EH Annotated Anodyne Cc1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587523061 EH Annotated Anodyne O=C1COc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 ZINC000587523077 EH Annotated Anodyne O=C1COc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 ZINC000587523093 EH Annotated Anodyne O=C1C[C@@H](c2cnc3c(c2)CCCO3)Oc2c1ccc1c2CCCC1 ZINC000587523094 EH Annotated Anodyne O=C1C[C@H](c2cnc3c(c2)CCCO3)Oc2c1ccc1c2CCCC1 ZINC000587523096 EH Annotated Anodyne CCOC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587523276 EH Annotated Anodyne CCOC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587523278 EH Annotated Anodyne COC(=O)[C@@H]1CC[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587523458 EH Annotated Anodyne COC(=O)[C@@H]1CC[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587523460 EH Annotated Anodyne CCC[C@@]1([C@@H](C)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523639 EH Annotated Anodyne CCC[C@]1([C@@H](C)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523640 EH Annotated Anodyne CCC[C@@]1([C@H](C)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523641 EH Annotated Anodyne CCC[C@]1([C@H](C)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523642 EH Annotated Anodyne Cc1noc([C@@H]2CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)n1 ZINC000587523753 EH Annotated Anodyne Cc1noc([C@@H]2CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)n1 ZINC000587523754 EH Annotated Anodyne Cc1noc([C@H]2CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)n1 ZINC000587523755 EH Annotated Anodyne Cc1noc([C@H]2CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)n1 ZINC000587523757 EH Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587523801 EH Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587523803 EH Annotated Anodyne O=C1C[C@@H](c2ccccc2OCCO)Oc2c1ccc1c2CCCC1 ZINC000587523820 EH Annotated Anodyne O=C1C[C@H](c2ccccc2OCCO)Oc2c1ccc1c2CCCC1 ZINC000587523825 EH Annotated Anodyne O=C1C[C@H](c2ccc3nc(O)[nH]c3c2)Oc2c1ccc1c2CCCC1 ZINC000587523856 EH Annotated Anodyne O=C1C[C@@H](c2ccc3nc(O)[nH]c3c2)Oc2c1ccc1c2CCCC1 ZINC000587523869 EH Annotated Anodyne COC(=O)C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524277 EH Annotated Anodyne COC(=O)C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524278 EH Annotated Anodyne COC(=O)C[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524279 EH Annotated Anodyne COC(=O)C[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524280 EH Annotated Anodyne CCOC(=O)C1(C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524365 EH Annotated Anodyne CCO/C=C(\C(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524424 EH Annotated Mild CCO/C=C(\C(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524429 EH Annotated Mild CCO/C=C(/C(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524431 EH Annotated Mild CCO/C=C(/C(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524432 EH Annotated Mild CCOC(=O)C1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587524442 EH Annotated Anodyne CCOC(=O)C1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587524444 EH Annotated Anodyne COC(=O)[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524710 EH Annotated Anodyne COC(=O)[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524712 EH Annotated Anodyne COC(=O)[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524713 EH Annotated Anodyne COC(=O)[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587524715 EH Annotated Anodyne COC(=O)C1CC2(C1)CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587524725 EH Annotated Anodyne O=C1COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 ZINC000587524729 EH Annotated Anodyne O=C1COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 ZINC000587524731 EH Annotated Anodyne O=C(O)CC[C@@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524732 EH Annotated Anodyne O=C(O)CC[C@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524743 EH Annotated Anodyne CCOC(=O)c1cc[nH]c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524804 EH Annotated Anodyne CCOC(=O)c1cc[nH]c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524806 EH Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2ccnn12 ZINC000587524993 EH Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2ccnn12 ZINC000587525009 EH Annotated Anodyne O=C1C[C@@H](c2ccc(OCCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525159 EH Annotated Anodyne O=C1C[C@H](c2ccc(OCCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525160 EH Annotated Anodyne O=C1C[C@]2(CCN[C@H]3CCCC[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587525182 EH Annotated Anodyne O=C1C[C@]2(CCN[C@@H]3CCCC[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587525184 EH Annotated Anodyne O=C1C[C@]2(CCN[C@@H]3CCCC[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587525187 EH Annotated Anodyne O=C1C[C@]2(CCN[C@H]3CCCC[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587525188 EH Annotated Anodyne O=Cc1cc(C=O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525328 EH Annotated Anodyne O=Cc1cc(C=O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525334 EH Annotated Anodyne Cc1[nH]nc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587525463 EH Annotated Anodyne Cc1[nH]nc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587525465 EH Annotated Anodyne COC(=O)[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525472 EH Annotated Anodyne COC(=O)[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525473 EH Annotated Anodyne COC(=O)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525475 EH Annotated Anodyne COC(=O)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525477 EH Annotated Anodyne C[C@@]1(c2[nH]nc3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525576 EH Annotated Anodyne C[C@]1(c2[nH]nc3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525583 EH Annotated Anodyne Cc1ccc2c(c1C)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525587 EH Annotated Anodyne Cc1ccc2c(c1C)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525589 EH Annotated Anodyne CCc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587525707 EH Annotated Anodyne CCc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587525708 EH Annotated Anodyne O=C1C[C@](c2ccccn2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587525787 EH Annotated Anodyne O=C1C[C@@](c2ccccn2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587525788 EH Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525811 EH Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525812 EH Annotated Anodyne CCOC(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525813 EH Annotated Anodyne CCOC(=O)[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525815 EH Annotated Anodyne CC(=O)OC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526013 EH Annotated Anodyne Cc1cc(C)c2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526105 EH Annotated Anodyne Cc1cc(C)c2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526109 EH Annotated Anodyne COC(=O)C1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526150 EH Annotated Anodyne COC(=O)c1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587526198 EH Annotated Anodyne COC(=O)c1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587526211 EH Annotated Anodyne COC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587526216 EH Annotated Anodyne COC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587526227 EH Annotated Anodyne CC(C)(C)c1noc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587526431 EH Annotated Anodyne CC(C)(C)c1noc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587526452 EH Annotated Anodyne CCOC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 ZINC000587526521 EH Annotated Anodyne CCOC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 ZINC000587526525 EH Annotated Anodyne O=C1C[C@](c2cccnc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587526566 EH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526568 EH Annotated Anodyne O=C1C[C@@](c2cccnc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587526569 EH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526570 EH Annotated Anodyne CCOC(=O)[C@@H](CC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526573 EH Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526575 EH Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526597 EH Annotated Anodyne CCOC(=O)C(C)(C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526602 EH Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587526977 EH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587526979 EH Annotated Anodyne CC[C@H](CCC(=O)OC)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527002 EH Annotated Anodyne CC[C@H](CCC(=O)OC)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527004 EH Annotated Anodyne CC[C@@H](CCC(=O)OC)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527006 EH Annotated Anodyne CC[C@@H](CCC(=O)OC)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527008 EH Annotated Anodyne Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587527053 EH Annotated Anodyne Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587527055 EH Annotated Anodyne C[C@H]1Nc2ccccc2C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527057 EH Annotated Anodyne C[C@H]1Nc2ccccc2C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527074 EH Annotated Anodyne C[C@@H]1Nc2ccccc2C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527077 EH Annotated Anodyne C[C@@H]1Nc2ccccc2C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527082 EH Annotated Anodyne Cc1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O ZINC000587527189 EH Annotated Anodyne Cc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527214 EH Annotated Anodyne Cc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527217 EH Annotated Anodyne Cc1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O ZINC000587527218 EH Annotated Anodyne Cc1ncc2c(n1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527294 EH Annotated Anodyne Cc1ncc2c(n1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527296 EH Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527297 EH Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527298 EH Annotated Anodyne Cc1nc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2n1 ZINC000587527353 EH Annotated Anodyne Cc1nc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2n1 ZINC000587527354 EH Annotated Anodyne O=C1CC(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587527443 EH Annotated Anodyne O=C1CC(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587527444 EH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO ZINC000587527595 EH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO ZINC000587527596 EH Annotated Anodyne COC(=O)C[C@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527603 EH Annotated Anodyne COC(=O)C[C@@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527604 EH Annotated Anodyne O=C1C[C@@H](c2ccnc3nccnc23)Oc2c1ccc1c2CCCC1 ZINC000587527790 EH Annotated Anodyne O=C1C[C@H](c2ccnc3nccnc23)Oc2c1ccc1c2CCCC1 ZINC000587527798 EH Annotated Anodyne COc1cccc(OC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527836 EH Annotated Anodyne COc1cccc(OC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527838 EH Annotated Anodyne COc1ccc(OC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527944 EH Annotated Anodyne COc1ccc(OC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527947 EH Annotated Anodyne COC(=O)C[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528057 EH Annotated Anodyne COC(=O)C[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528058 EH Annotated Anodyne COC(=O)C[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528059 EH Annotated Anodyne COC(=O)C[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528060 EH Annotated Anodyne Nc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c2c1 ZINC000587528297 EH Annotated Anodyne Nc1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c2c1 ZINC000587528298 EH Annotated Anodyne Cc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587528301 EH Annotated Anodyne Cc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587528302 EH Annotated Anodyne O=C1C[C@]2(CCCc3nc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587528309 EH Annotated Anodyne O=C1C[C@@]2(CCCc3nc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587528310 EH Annotated Anodyne O=C1C[C@](c2ccncc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587528345 EH Annotated Anodyne O=C1C[C@@](c2ccncc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587528346 EH Annotated Anodyne O=C1C[C@@](c2ncc[nH]2)(c2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587528387 EH Annotated Anodyne O=C1C[C@](c2ncc[nH]2)(c2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587528388 EH Annotated Anodyne CCc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528405 EH Annotated Anodyne CCc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528406 EH Annotated Anodyne COC(=O)c1[nH]cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587528458 EH Annotated Anodyne COC(=O)c1[nH]cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587528459 EH Annotated Anodyne O=C1CC2(C[C@@H]3CC(C(=O)O)C[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587528504 EH Annotated Anodyne O=C1C[C@@]2(C[C@@H]3C[C@@H](C(=O)O)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587528505 EH Annotated Anodyne O=C1CC2(C[C@H]3CC(C(=O)O)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587528506 EH Annotated Anodyne C[C@@H]1[C@H](CC(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528517 EH Annotated Anodyne C[C@@H]1[C@H](CC(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528518 EH Annotated Anodyne C[C@@H]1[C@@H](CC(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528519 EH Annotated Anodyne C[C@@H]1[C@@H](CC(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528520 EH Annotated Anodyne O=C1C[C@@](Cc2ccccc2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587528543 EH Annotated Anodyne O=C1C[C@](Cc2ccccc2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587528544 EH Annotated Anodyne O=C(O)Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528565 EH Annotated Anodyne O=C(O)Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528566 EH Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2CC(C(=O)O)C1 ZINC000587528581 EH Annotated Anodyne O=C1C[C@]2(CCC[C@@H](C(=O)O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529061 EH Annotated Anodyne O=C1C[C@]2(CCC[C@H](C(=O)O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529062 EH Annotated Anodyne O=C1C[C@@]2(CCC[C@@H](C(=O)O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529063 EH Annotated Anodyne O=C1C[C@@]2(CCC[C@H](C(=O)O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529066 EH Annotated Anodyne Cc1ccc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529092 EH Annotated Anodyne Cc1ccc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529094 EH Annotated Anodyne O=C1CC2(CC3(CC(C(=O)O)C3)C2)Oc2c1ccc1c2CCCC1 ZINC000587529143 EH Annotated Anodyne C[C@@H](O)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529206 EH Annotated Anodyne C[C@H](O)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529207 EH Annotated Anodyne C[C@H](O)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529208 EH Annotated Anodyne C[C@@H](O)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529209 EH Annotated Anodyne O=C1C[C@@H](c2ccc(C#CCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587529210 EH Annotated Mild O=C1C[C@H](c2ccc(C#CCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587529211 EH Annotated Mild O=C(O)Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529224 EH Annotated Anodyne O=C(O)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529225 EH Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](O)(C3)C1 ZINC000587529288 EH Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](O)(C3)C1 ZINC000587529289 EH Annotated Anodyne C[C@@]1(CC2(C(=O)O)CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529299 EH Annotated Anodyne C[C@]1(CC2(C(=O)O)CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529300 EH Annotated Anodyne COC(=O)c1occc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529383 EH Annotated Anodyne COC(=O)c1occc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529384 EH Annotated Anodyne O=C(O)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529405 EH Annotated Anodyne O=C(O)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529406 EH Annotated Anodyne COC(=O)c1coc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529417 EH Annotated Anodyne COC(=O)c1coc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529418 EH Annotated Anodyne O=C1C[C@@]2(C[C@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529518 EH Annotated Anodyne O=C1C[C@]2(C[C@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529519 EH Annotated Anodyne O=C1C[C@@]2(C[C@@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529520 EH Annotated Anodyne O=C1C[C@]2(C[C@@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529521 EH Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)C1CC3CC2CC(C1)C3=O ZINC000587529522 EH Annotated Anodyne O=C(O)CC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529593 EH Annotated Anodyne O=C(O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587529832 EH Annotated Anodyne O=C(O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587529833 EH Annotated Anodyne O=C1C[C@]2(CCOC3(CCOCC3)C2)Oc2c1ccc1c2CCCC1 ZINC000587530040 EH Annotated Anodyne O=C1C[C@@]2(CCOC3(CCOCC3)C2)Oc2c1ccc1c2CCCC1 ZINC000587530041 EH Annotated Anodyne COP(=O)(C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587530247 EH Annotated Anodyne COP(=O)(C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587530250 EH Annotated Anodyne C[C@@H]1C[C@@H](C(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530500 EH Annotated Anodyne C[C@@H]1C[C@@H](C(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530501 EH Annotated Anodyne C[C@@H]1C[C@H](C(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530503 EH Annotated Anodyne C[C@@H]1C[C@H](C(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530504 EH Annotated Anodyne O=C1C[C@H](c2ccc(C#CCO)s2)Oc2c1ccc1c2CCCC1 ZINC000587530650 EH Annotated Mild O=C1C[C@@H](c2ccc(C#CCO)s2)Oc2c1ccc1c2CCCC1 ZINC000587530654 EH Annotated Mild C[C@@H]1C[C@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530900 EH Annotated Anodyne C[C@@H]1C[C@@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530901 EH Annotated Anodyne C[C@@H]1C[C@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530902 EH Annotated Anodyne C[C@@H]1C[C@@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530903 EH Annotated Anodyne O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587531403 EH Annotated Anodyne O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587531404 EH Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587531420 EH Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587531421 EH Annotated Anodyne O=C1C[C@](C(=O)O)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587531426 EH Annotated Anodyne O=C1C[C@@](C(=O)O)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587531430 EH Annotated Anodyne O=C1C[C@]2(CCc3c2ccc(O)c3O)Oc2c1ccc1c2CCCC1 ZINC000587531496 EH Annotated Clean O=C1C[C@@]2(CCc3c2ccc(O)c3O)Oc2c1ccc1c2CCCC1 ZINC000587531499 EH Annotated Clean CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587531553 EH Annotated Anodyne CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587531561 EH Annotated Anodyne O=C1C[C@]2(CCc3cc(O)c(O)cc32)Oc2c1ccc1c2CCCC1 ZINC000587531597 EH Annotated Clean O=C1C[C@@]2(CCc3cc(O)c(O)cc32)Oc2c1ccc1c2CCCC1 ZINC000587531599 EH Annotated Clean C[C@@H](O)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531901 EH Annotated Anodyne C[C@H](O)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531904 EH Annotated Anodyne C[C@@H](O)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531906 EH Annotated Anodyne C[C@H](O)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531907 EH Annotated Anodyne C[C@@]1(c2cc(C(=O)O)co2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531923 EH Annotated Anodyne C[C@]1(c2cc(C(=O)O)co2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531925 EH Annotated Anodyne NC(=S)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532080 EH Annotated Anodyne NC(=S)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532081 EH Annotated Anodyne O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 ZINC000587532143 EH Annotated Anodyne O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 ZINC000587532144 EH Annotated Anodyne Cc1[nH]c(=N)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532268 EH Annotated Anodyne Cc1[nH]c(=N)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532271 EH Annotated Anodyne O=C1C[C@@](Cc2cccs2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587532413 EH Annotated Anodyne O=C1C[C@](Cc2cccs2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587532418 EH Annotated Anodyne Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c1=S ZINC000587532472 EH Annotated Anodyne Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C)c1=S ZINC000587532473 EH Annotated Anodyne O=C1C[C@@H]([C@H]2COC3(CCCCC3)O2)Oc2c1ccc1c2CCCC1 ZINC000587532584 EH Annotated Anodyne O=C1C[C@H]([C@H]2COC3(CCCCC3)O2)Oc2c1ccc1c2CCCC1 ZINC000587532585 EH Annotated Anodyne COC(=O)c1coc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532634 EH Annotated Anodyne COC(=O)c1coc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532636 EH Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC3C[C@H]2CC(O)(C3)C1 ZINC000587532669 EH Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)oc1C ZINC000587532691 EH Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)oc1C ZINC000587532694 EH Annotated Anodyne O=C(O)CC[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532703 EH Annotated Anodyne O=C(O)CC[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532707 EH Annotated Anodyne O=C1C[C@H](c2cc(C#CCO)cs2)Oc2c1ccc1c2CCCC1 ZINC000587533092 EH Annotated Mild O=C1C[C@@H](c2cc(C#CCO)cs2)Oc2c1ccc1c2CCCC1 ZINC000587533093 EH Annotated Mild CSc1nccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587533104 EH Annotated Anodyne CSc1nccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587533108 EH Annotated Anodyne CCOC(=O)CSC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533146 EH Annotated Anodyne CCOC(=O)CSC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533156 EH Annotated Anodyne COC(=O)c1ccoc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533201 EH Annotated Anodyne COC(=O)c1ccoc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533202 EH Annotated Anodyne O=C1C[C@H](c2ccc(C3OCCO3)o2)Oc2c1ccc1c2CCCC1 ZINC000587533605 EH Annotated Anodyne O=C1C[C@@H](c2ccc(C3OCCO3)o2)Oc2c1ccc1c2CCCC1 ZINC000587533606 EH Annotated Anodyne CCC1(CC)OC[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587533733 EH Annotated Anodyne CCC1(CC)OC[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587533737 EH Annotated Anodyne Cc1sc(=N)[nH]c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533997 EH Annotated Anodyne Cc1sc(=N)[nH]c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533999 EH Annotated Anodyne Cc1c(O)cc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587534021 EH Annotated Anodyne Cc1c(O)cc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587534025 EH Annotated Anodyne COC(=O)C[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534062 EH Annotated Anodyne COC(=O)C[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534071 EH Annotated Anodyne CSc1nccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587534343 EH Annotated Anodyne CSc1nccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587534394 EH Annotated Anodyne CC(=O)OCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587534572 EH Annotated Anodyne CC(=O)OCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587534573 EH Annotated Anodyne COCc1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534678 EH Annotated Anodyne COCc1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534683 EH Annotated Anodyne C[C@@]1(c2ccc(C(=O)O)o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534727 EH Annotated Anodyne C[C@]1(c2ccc(C(=O)O)o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534728 EH Annotated Anodyne COC(=O)c1scnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534750 EH Annotated Anodyne COC(=O)c1scnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534756 EH Annotated Anodyne COCc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587534913 EH Annotated Anodyne COCc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587534914 EH Annotated Anodyne O=C1C[C@]2(CCOc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 ZINC000587534931 EH Annotated Anodyne O=C1C[C@@]2(CCOc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 ZINC000587534932 EH Annotated Anodyne C[C@@H](O)c1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535022 EH Annotated Anodyne C[C@H](O)c1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535024 EH Annotated Anodyne C[C@@H](O)c1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535025 EH Annotated Anodyne C[C@H](O)c1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535026 EH Annotated Anodyne N=c1[nH]c(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535051 EH Annotated Anodyne N=c1[nH]c(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535052 EH Annotated Anodyne COC(=O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587535100 EH Annotated Anodyne COC(=O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587535102 EH Annotated Anodyne C[C@@]1(CSc2nncs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535159 EH Annotated Anodyne C[C@@H]1CC2(CC[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCCO2 ZINC000587535165 EH Annotated Anodyne C[C@H]1CC2(CC[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCCO2 ZINC000587535166 EH Annotated Anodyne C[C@]1(CSc2nncs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535167 EH Annotated Anodyne CN(C)Cc1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535168 EH Annotated Anodyne C[C@@H]1CC2(CC[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCCO2 ZINC000587535169 EH Annotated Anodyne CN(C)Cc1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535170 EH Annotated Anodyne C[C@H]1CC2(CC[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCCO2 ZINC000587535171 EH Annotated Anodyne O=C1C[C@H](CCCCC2OCCO2)Oc2c1ccc1c2CCCC1 ZINC000587535197 EH Annotated Anodyne O=C1C[C@@H](CCCCC2OCCO2)Oc2c1ccc1c2CCCC1 ZINC000587535199 EH Annotated Anodyne C[C@]1(c2ncc(C(=O)O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535247 EH Annotated Anodyne C[C@@]1(c2ncc(C(=O)O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535248 EH Annotated Anodyne O=C1C[C@@H](c2cc3c(cc2O)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587535559 EH Annotated Anodyne O=C1C[C@H](c2cc3c(cc2O)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587535560 EH Annotated Anodyne C[C@@H](O)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535660 EH Annotated Anodyne C[C@H](O)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535661 EH Annotated Anodyne C[C@@H](O)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535663 EH Annotated Anodyne C[C@H](O)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535665 EH Annotated Anodyne CCO[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@]12CCCO2 ZINC000587535675 EH Annotated Anodyne CCO[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@]12CCCO2 ZINC000587535678 EH Annotated Anodyne C[C@]1(c2scnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535773 EH Annotated Anodyne C[C@@]1(c2scnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535774 EH Annotated Anodyne O=C1C[C@]2(CCCC3(C2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587535801 EH Annotated Anodyne O=C1C[C@@]2(CCCC3(C2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587535802 EH Annotated Anodyne O=C1CC2(CCC3(CC2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587535927 EH Annotated Anodyne COCCc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535980 EH Annotated Anodyne COCCc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535981 EH Annotated Anodyne CC1(C)O[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2O1 ZINC000587535998 EH Annotated Anodyne CC1(C)O[C@@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2O1 ZINC000587535999 EH Annotated Anodyne O=C1C[C@@H](c2c(O)ccc3c2OCO3)Oc2c1ccc1c2CCCC1 ZINC000587536002 EH Annotated Anodyne O=C1C[C@H](c2c(O)ccc3c2OCO3)Oc2c1ccc1c2CCCC1 ZINC000587536003 EH Annotated Anodyne Cc1nc(O)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536075 EH Annotated Anodyne Cc1nc(O)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536082 EH Annotated Anodyne COCC[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536088 EH Annotated Anodyne COCC[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536090 EH Annotated Anodyne CC(=O)Nc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587536264 EH Annotated Anodyne CC(=O)Nc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587536266 EH Annotated Anodyne COC(=O)c1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536555 EH Annotated Anodyne COC(=O)c1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536556 EH Annotated Anodyne CN(C)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536597 EH Annotated Anodyne CN(C)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536598 EH Annotated Anodyne CO[C@@H](c1cncs1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536771 EH Annotated Anodyne CO[C@@H](c1cncs1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536772 EH Annotated Anodyne CO[C@H](c1cncs1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536773 EH Annotated Anodyne CO[C@H](c1cncs1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536774 EH Annotated Anodyne O=C1C[C@]2(CCOc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587536818 EH Annotated Anodyne O=C1C[C@@]2(CCOc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587536819 EH Annotated Anodyne O=C1C[C@@H](c2cn3c(n2)SCC3)Oc2c1ccc1c2CCCC1 ZINC000587538120 EH Annotated Anodyne O=C1C[C@H](c2cn3c(n2)SCC3)Oc2c1ccc1c2CCCC1 ZINC000587538121 EH Annotated Anodyne N=c1[nH]c2c(s1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538329 EH Annotated Anodyne N=c1[nH]c2c(s1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538330 EH Annotated Anodyne Cc1nsc(N)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538657 EH Annotated Anodyne Cc1nsc(N)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538658 EH Annotated Anodyne N=c1[nH]c2c(s1)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587539956 EH Annotated Anodyne N=c1[nH]c2c(s1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587539957 EH Annotated Anodyne C[C@@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541303 EH Annotated Reactive C[C@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541304 EH Annotated Reactive C[C@@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541305 EH Annotated Reactive C[C@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541306 EH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CC1 ZINC000587541697 EH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CC1 ZINC000587541698 EH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CC1 ZINC000587541699 EH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CC1 ZINC000587541700 EH Annotated Reactive CC(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541950 EH Annotated Reactive CC(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541951 EH Annotated Reactive CC(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541952 EH Annotated Reactive CC(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541953 EH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(CCl)CCl ZINC000587542101 EH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(CCl)CCl ZINC000587542105 EH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2Cl ZINC000587543420 EH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2Cl ZINC000587543423 EH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2Cl ZINC000587543427 EH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2Cl ZINC000587543431 EH Annotated Reactive CC(C)(CCl)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546385 EH Annotated Reactive CC(C)(CCl)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546387 EH Annotated Reactive CC(C)(CCl)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546389 EH Annotated Reactive CC(C)(CCl)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546390 EH Annotated Reactive Oc1nc(O)c2ccc(-c3ccc4c(c3)[nH]c3ccccc34)nc2n1 ZINC000587553608 EH Annotated Anodyne CCCC[C@H](OC)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587554244 EH Annotated Anodyne CCCC[C@@H](OC)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587554249 EH Annotated Anodyne CCC[C@H](OC)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587554767 EH Annotated Anodyne CCC[C@@H](OC)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587554769 EH Annotated Anodyne Nc1ccc2c(c1)oc1ccc(-c3ccc4c(O)nc(O)nc4n3)cc12 ZINC000587555612 EH Annotated Anodyne CCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(N)cc1 ZINC000587555711 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(C(F)F)CC1 ZINC000587557749 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(C(F)F)CC1 ZINC000587557750 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(C(F)F)CC1 ZINC000587557751 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(C(F)F)CC1 ZINC000587557752 EH Annotated Anodyne CC(C)CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587558591 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(OCc4ccccc4)cc3)nc2n1 ZINC000587559750 EH Annotated Anodyne COc1ccccc1-c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587559761 EH Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1-c1ccccc1 ZINC000587559962 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(OCc4ccccc4)c3)nc2n1 ZINC000587559970 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3coc4c3cc(O)c3ccccc34)nc2n1 ZINC000587560307 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(OC4CCCCC4)cc3)nc2n1 ZINC000587560422 EH Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3)c(Cc3ccccc3)nc2n1 ZINC000587560751 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)nc2n1 ZINC000587560921 EH Annotated Anodyne CCC1CCC([C@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 ZINC000587560961 EH Annotated Anodyne CCC1CCC([C@@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 ZINC000587560962 EH Annotated Anodyne Oc1nc(O)c2ccc(Cc3ccc(-c4ccccc4)cc3)nc2n1 ZINC000587561008 EH Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3)c(-c3ccccc3)nc2n1 ZINC000587561160 EH Annotated Anodyne CCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(O)cc1 ZINC000587561382 EH Annotated Anodyne Oc1nc(O)c2ccc(C(c3ccccc3)c3ccccc3)nc2n1 ZINC000587561397 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Cc4ccccc4)cc3)nc2n1 ZINC000587561451 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(Oc4ccccc4)c3)nc2n1 ZINC000587561633 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(CCc4ccccc4)cc3)nc2n1 ZINC000587561645 EH Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc4c(c3)-c3ccccc3C4)nc2n1 ZINC000587561778 EH Annotated Anodyne CCCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(O)cc1 ZINC000587561796 EH Annotated Anodyne Cc1cc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)ccc1O ZINC000587561837 EH Annotated Anodyne Oc1nc(O)c2cc(CCc3ccccc3)c(-c3ccccc3)nc2n1 ZINC000587561910 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(-c2ccccc2)ccc1C3 ZINC000587562172 EH Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1c1nc2nc(O)nc(O)c2cc1CC3(C)C ZINC000587562175 EH Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@H]1c1nc2nc(O)nc(O)c2cc1CC3(C)C ZINC000587562176 EH Annotated Anodyne Oc1nc(O)c2cc(Cc3ccc(-c4ccccc4)cc3)cnc2n1 ZINC000587562344 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1ccccc1[C@@H]3c1ccccc1 ZINC000587562401 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1ccccc1[C@H]3c1ccccc1 ZINC000587562402 EH Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1CSc1ccc(Cl)cc1 ZINC000587562564 EH Annotated Anodyne O=C(O)COCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587562755 EH Annotated Reactive COCC(=O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587562878 EH Annotated Reactive Oc1nc(O)c2ccc(-c3ccc(Cc4ccccc4)s3)nc2n1 ZINC000587563019 EH Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Br)ncc2[nH]1 ZINC000587563273 EH Annotated Anodyne CCCCCc1cc2c(s1)CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587563462 EH Annotated Anodyne Oc1nc(O)c2cc(CCCl)c(-c3ccc(Cl)s3)nc2n1 ZINC000587563571 EH Annotated Reactive O=Cc1cccc(-c2ccsc2-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587563666 EH Annotated Anodyne CC(C)(C)Sc1ccccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563685 EH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(Cl)sc(Cl)c1CC3 ZINC000587563827 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(COc3cccc(C)c3C)[nH]c2c1 ZINC000587563950 EH Annotated Anodyne COc1cc(C)ccc1OCc1nc2cncc(Br)c2[nH]1 ZINC000587563968 EH Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587564220 EH Annotated Mild Cc1cccc(OCc2nc3cc(Br)ncc3[nH]2)c1C ZINC000587564230 EH Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccnc(Br)c2[nH]1 ZINC000587564238 EH Annotated Anodyne COc1cc(C)ccc1OCc1nc2c(Br)ccnc2[nH]1 ZINC000587564246 EH Annotated Anodyne Cc1cccc(OCc2nc3cncc(Br)c3[nH]2)c1C ZINC000587564260 EH Annotated Anodyne Cc1cccc(OCc2nc3c(Br)ccnc3[nH]2)c1C ZINC000587564267 EH Annotated Anodyne Cc1cc(C)cc(OCc2nc3ccc(Br)nc3[nH]2)c1 ZINC000587564361 EH Annotated Anodyne C#CCOc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000587564461 EH Annotated Mild Cc1cccc(OCc2nc3ccc(Br)nc3[nH]2)c1C ZINC000587564534 EH Annotated Anodyne Cc1cccc(OCc2nc3ccnc(Br)c3[nH]2)c1C ZINC000587564555 EH Annotated Anodyne Cc1cc(C)cc(OCc2nc3ccnc(Br)c3[nH]2)c1 ZINC000587564620 EH Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000587564641 EH Annotated Anodyne Cc1cc(C)cc(OCc2nc3cncc(Br)c3[nH]2)c1 ZINC000587564685 EH Annotated Anodyne COC(=O)c1cc2[nH]c(COc3cccc(C)c3C)nc2cc1OC ZINC000587564748 EH Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587564804 EH Annotated Anodyne Cc1cccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1C ZINC000587564826 EH Annotated Bother COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587564841 EH Annotated Anodyne COC(=O)c1ccc2nc(COc3cccc(C)c3C)[nH]c2c1OC ZINC000587564843 EH Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(Br)nc2[nH]1 ZINC000587564852 EH Annotated Anodyne Cc1nc(-c2cc(-c3ccc4c(O)nc(O)nc4n3)cs2)cs1 ZINC000587564859 EH Annotated Anodyne Cc1nc(-c2ccccc2)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587564912 EH Annotated Anodyne COC(=O)c1ccc2nc(COc3cc(C)cc(C)c3)[nH]c2c1OC ZINC000587564950 EH Annotated Anodyne CCOC(=O)Cc1ccc2nc(COc3cc(C)cc(C)c3)[nH]c2c1 ZINC000587564987 EH Annotated Anodyne Cc1cc(C)cc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587564992 EH Annotated Bother Cc1cc(C)cc(OCc2nc3cc(Br)ncc3[nH]2)c1 ZINC000587565124 EH Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587565132 EH Annotated Bother Cc1cc(C)cc(OCc2nc3c(Br)ccnc3[nH]2)c1 ZINC000587565134 EH Annotated Anodyne COC(=O)c1cc2[nH]c(COc3cc(C)cc(C)c3)nc2cc1OC ZINC000587565154 EH Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587565342 EH Annotated Anodyne Cc1ccc(OCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587565365 EH Annotated Anodyne Cc1ccc(OCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587565402 EH Annotated Anodyne CC(C)COc1cccc(OCc2nc3cccc(C(=O)O)c3[nH]2)c1 ZINC000587565557 EH Annotated Anodyne Cc1ccc(OCc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000587565571 EH Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(CO)cc3[nH]2)c1 ZINC000587565595 EH Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(CCO)cc3[nH]2)c1 ZINC000587565667 EH Annotated Anodyne COc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cn1 ZINC000587565730 EH Annotated Anodyne CC(C)COc1cccc(OCc2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587565745 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCOCc3ccccc3)[nH]c2cc1Cl ZINC000587565798 EH Annotated Bother Cc1ccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587565938 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(C)cc3)nc2c1 ZINC000587565966 EH Annotated Anodyne FC1(F)Oc2cc3nc(CCOCc4ccccc4)[nH]c3cc2O1 ZINC000587565971 EH Annotated Anodyne Cc1nc2[nH]c(CCOCc3ccccc3)nc2cc1Br ZINC000587566001 EH Annotated Anodyne Oc1c(Br)ccc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587566059 EH Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(C#N)c(C#N)cc3[nH]2)c1 ZINC000587566076 EH Annotated Mild COc1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2n1 ZINC000587566118 EH Annotated Anodyne CC(C)COc1cccc(OCc2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587566123 EH Annotated Anodyne CC(C)COc1cccc(OCc2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587566139 EH Annotated Anodyne Fc1cc2[nH]c(CCOCc3ccccc3)nc2cc1-n1cccn1 ZINC000587566160 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCOCc3ccccc3)nc2c1 ZINC000587566161 EH Annotated Anodyne COc1nccc2nc(COc3cccc(OCC(C)C)c3)[nH]c12 ZINC000587566165 EH Annotated Anodyne COc1cncc2nc(COc3cccc(OCC(C)C)c3)[nH]c12 ZINC000587566191 EH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCOCc3ccccc3)nc12 ZINC000587566194 EH Annotated Anodyne O=Cc1ccc(OCCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000587566235 EH Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587566329 EH Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587566368 EH Annotated Anodyne O=Cc1ccc(OCCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587566370 EH Annotated Anodyne O=Cc1ccc(OCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587566423 EH Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587566429 EH Annotated Anodyne COc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Cl ZINC000587566472 EH Annotated Anodyne O=Cc1ccc(OCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587566473 EH Annotated Bother N#Cc1cc(Cl)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 ZINC000587566514 EH Annotated Mild O=Cc1ccc(OCCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587566642 EH Annotated Anodyne O=Cc1ccc(OCCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587566701 EH Annotated Anodyne Cc1ccc2c(ccc3nc(CCOc4ccc(C=O)cc4)[nH]c32)n1 ZINC000587566804 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1F ZINC000587566893 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1F ZINC000587566894 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1F ZINC000587566895 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1F ZINC000587566896 EH Annotated Anodyne N#CC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567525 EH Annotated Mild N#CC[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567526 EH Annotated Mild N#CC[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567527 EH Annotated Mild N#CC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567528 EH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1F ZINC000587567602 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1F ZINC000587567603 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1F ZINC000587567604 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1F ZINC000587567605 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccn1 ZINC000587567769 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccn1 ZINC000587567770 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccn1 ZINC000587567771 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccn1 ZINC000587567772 EH Annotated Anodyne N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568224 EH Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568236 EH Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568238 EH Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568240 EH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1F ZINC000587568306 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1F ZINC000587568307 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1F ZINC000587568308 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1F ZINC000587568309 EH Annotated Anodyne C[C@@H]1C[C@@H]1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569086 EH Annotated Mild C[C@@H]1C[C@@H]1[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569087 EH Annotated Mild C[C@@H]1C[C@@H]1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569088 EH Annotated Mild C[C@@H]1C[C@@H]1[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569089 EH Annotated Mild N#Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569498 EH Annotated Mild N#Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569500 EH Annotated Mild N#Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569502 EH Annotated Mild N#Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569503 EH Annotated Mild N#CC[C@]1(c2ccoc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569825 EH Annotated Mild N#CC[C@@]1(c2ccoc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569826 EH Annotated Mild N#CC[C@@]1(c2ccoc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569827 EH Annotated Mild N#CC[C@]1(c2ccoc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569828 EH Annotated Mild N#CC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587570181 EH Annotated Mild N#CC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587570182 EH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)nc1 ZINC000587570285 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)nc1 ZINC000587570287 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)nc1 ZINC000587570289 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)nc1 ZINC000587570290 EH Annotated Anodyne CC1(C)[C@H](C#N)[C@H]1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571477 EH Annotated Mild CC1(C)[C@H](C#N)[C@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571478 EH Annotated Mild CC1(C)[C@H](C#N)[C@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571479 EH Annotated Mild CC1(C)[C@H](C#N)[C@H]1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571480 EH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cn1 ZINC000587571614 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cn1 ZINC000587571615 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cn1 ZINC000587571616 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cn1 ZINC000587571617 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(F)c1 ZINC000587571945 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(F)c1 ZINC000587571946 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(F)c1 ZINC000587571947 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(F)c1 ZINC000587571948 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)n1 ZINC000587571953 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)n1 ZINC000587571954 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)n1 ZINC000587571955 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)n1 ZINC000587571956 EH Annotated Anodyne N#CC[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571985 EH Annotated Mild N#CC[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571986 EH Annotated Mild N#CC[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571987 EH Annotated Mild N#CC[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571988 EH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc(F)c1 ZINC000587572267 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc(F)c1 ZINC000587572268 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(F)c1 ZINC000587572269 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(F)c1 ZINC000587572270 EH Annotated Anodyne N#C[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587572789 EH Annotated Mild N#C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587572791 EH Annotated Mild N#C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587572793 EH Annotated Mild N#C[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587572795 EH Annotated Mild C[C@H](C#N)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573150 EH Annotated Mild C[C@H](C#N)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573152 EH Annotated Mild C[C@H](C#N)[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573154 EH Annotated Mild C[C@H](C#N)[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573156 EH Annotated Mild N#C[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587573228 EH Annotated Mild N#C[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587573229 EH Annotated Mild N#C[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587573230 EH Annotated Mild N#C[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587573231 EH Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587573932 EH Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587573937 EH Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587573938 EH Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587573940 EH Annotated Mild [N-]=[N+]=NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574673 EH Annotated Clean [N-]=[N+]=NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574674 EH Annotated Clean [N-]=[N+]=NCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574675 EH Annotated Clean [N-]=[N+]=NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574676 EH Annotated Clean C[C@]1(c2ccc(C#N)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574901 EH Annotated Mild C[C@@]1(c2ccc(C#N)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574906 EH Annotated Mild C[C@@]1(c2ccc(C#N)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574909 EH Annotated Mild C[C@]1(c2ccc(C#N)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574911 EH Annotated Mild N#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575020 EH Annotated Mild N#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575021 EH Annotated Mild N#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575022 EH Annotated Mild N#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575023 EH Annotated Mild Cn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576320 EH Annotated Anodyne Cn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576321 EH Annotated Anodyne Cn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576322 EH Annotated Anodyne Cn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576323 EH Annotated Anodyne C[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576514 EH Annotated Anodyne C[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576516 EH Annotated Anodyne C[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576518 EH Annotated Anodyne C[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576520 EH Annotated Anodyne CCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576628 EH Annotated Anodyne CCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576629 EH Annotated Anodyne CCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576630 EH Annotated Anodyne CCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576631 EH Annotated Anodyne Cn1cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576758 EH Annotated Anodyne Cn1cccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576761 EH Annotated Anodyne Cn1cccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576762 EH Annotated Anodyne Cn1cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576764 EH Annotated Anodyne C#CCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576854 EH Annotated Mild C#CCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576855 EH Annotated Mild C#CCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576857 EH Annotated Mild C#CCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576859 EH Annotated Mild Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577349 EH Annotated Anodyne Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577358 EH Annotated Anodyne Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577360 EH Annotated Anodyne Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577363 EH Annotated Anodyne CNc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577738 EH Annotated Anodyne CNc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577743 EH Annotated Anodyne CNc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577745 EH Annotated Anodyne CNc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577746 EH Annotated Anodyne CCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587578029 EH Annotated Anodyne CCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587578031 EH Annotated Anodyne CCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587578032 EH Annotated Anodyne CCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587578033 EH Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587579562 EH Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587579568 EH Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587579570 EH Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587579573 EH Annotated Anodyne C[C@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580156 EH Annotated Anodyne C[C@@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580157 EH Annotated Anodyne C[C@@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580158 EH Annotated Anodyne C[C@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580159 EH Annotated Anodyne C[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582297 EH Annotated Anodyne C[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582298 EH Annotated Anodyne C[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582300 EH Annotated Anodyne C[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582302 EH Annotated Anodyne C=Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582980 EH Annotated Anodyne C=Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582981 EH Annotated Anodyne C=Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582982 EH Annotated Anodyne C=Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582983 EH Annotated Anodyne C=Cn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587583046 EH Annotated Anodyne C=Cn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587583047 EH Annotated Anodyne C=Cn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587583049 EH Annotated Anodyne C=Cn1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587583051 EH Annotated Anodyne CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 ZINC000587584451 EH Annotated Anodyne CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 ZINC000587584452 EH Annotated Anodyne CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 ZINC000587584453 EH Annotated Anodyne CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 ZINC000587584454 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cnccc12 ZINC000587584455 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cnccc12 ZINC000587584456 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cnccc12 ZINC000587584457 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cnccc12 ZINC000587584458 EH Annotated Anodyne C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584864 EH Annotated Anodyne C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584865 EH Annotated Anodyne C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584867 EH Annotated Anodyne C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584869 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ncccc12 ZINC000587584925 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ncccc12 ZINC000587584926 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ncccc12 ZINC000587584927 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ncccc12 ZINC000587584928 EH Annotated Anodyne Cc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585131 EH Annotated Anodyne Cc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585133 EH Annotated Anodyne Cc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585135 EH Annotated Anodyne Cc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585137 EH Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 ZINC000587585214 EH Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 ZINC000587585216 EH Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 ZINC000587585217 EH Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 ZINC000587585218 EH Annotated Anodyne Cc1oncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585255 EH Annotated Anodyne Cc1oncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585257 EH Annotated Anodyne Cc1oncc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585258 EH Annotated Anodyne Cc1oncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585259 EH Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587585621 EH Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587585622 EH Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587585623 EH Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587585624 EH Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587585629 EH Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587585630 EH Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587585631 EH Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587585632 EH Annotated Anodyne Cc1cncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585695 EH Annotated Anodyne Cc1cncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585696 EH Annotated Anodyne Cc1cncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585697 EH Annotated Anodyne Cc1cncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585698 EH Annotated Anodyne Cc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585857 EH Annotated Anodyne Cc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585858 EH Annotated Anodyne Cc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585874 EH Annotated Anodyne Cc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585875 EH Annotated Anodyne Cc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586258 EH Annotated Anodyne Cc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586259 EH Annotated Anodyne Cc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586260 EH Annotated Anodyne Cc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586261 EH Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587586490 EH Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587586491 EH Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587586492 EH Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587586495 EH Annotated Anodyne C[C@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586636 EH Annotated Anodyne C[C@@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586641 EH Annotated Anodyne C[C@@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586643 EH Annotated Anodyne C[C@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586645 EH Annotated Anodyne Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587129 EH Annotated Anodyne Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587131 EH Annotated Anodyne Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587133 EH Annotated Anodyne Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587134 EH Annotated Anodyne C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587214 EH Annotated Anodyne C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587215 EH Annotated Anodyne C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587216 EH Annotated Anodyne C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587218 EH Annotated Anodyne C[C@]1(Cc2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587247 EH Annotated Anodyne C[C@@]1(Cc2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587248 EH Annotated Anodyne C[C@@]1(Cc2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587250 EH Annotated Anodyne C[C@]1(Cc2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587253 EH Annotated Anodyne Cc1noc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587268 EH Annotated Anodyne Cc1noc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587271 EH Annotated Anodyne Cc1noc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587272 EH Annotated Anodyne Cc1noc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587273 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]ccc12 ZINC000587587455 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]ccc12 ZINC000587587463 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]ccc12 ZINC000587587466 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]ccc12 ZINC000587587469 EH Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 ZINC000587587473 EH Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 ZINC000587587475 EH Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 ZINC000587587476 EH Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 ZINC000587587477 EH Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1O ZINC000587587491 EH Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1O ZINC000587587505 EH Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1O ZINC000587587508 EH Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1O ZINC000587587511 EH Annotated Anodyne Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587583 EH Annotated Anodyne Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587584 EH Annotated Anodyne Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587585 EH Annotated Anodyne Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587586 EH Annotated Anodyne Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587599 EH Annotated Anodyne Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587600 EH Annotated Anodyne Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587602 EH Annotated Anodyne Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587604 EH Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587587642 EH Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587587644 EH Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587587645 EH Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587587646 EH Annotated Anodyne Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587669 EH Annotated Anodyne Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587671 EH Annotated Anodyne Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587672 EH Annotated Anodyne Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587675 EH Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587587755 EH Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587587759 EH Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587587761 EH Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587587764 EH Annotated Anodyne Cc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587790 EH Annotated Anodyne Cc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587792 EH Annotated Anodyne Cc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587795 EH Annotated Anodyne Cc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587797 EH Annotated Anodyne Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 ZINC000587588097 EH Annotated Anodyne Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 ZINC000587588099 EH Annotated Anodyne Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 ZINC000587588102 EH Annotated Anodyne Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 ZINC000587588105 EH Annotated Anodyne CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587588407 EH Annotated Anodyne CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587588421 EH Annotated Anodyne CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587588423 EH Annotated Anodyne CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587588425 EH Annotated Anodyne Cc1ccncc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588661 EH Annotated Anodyne Cc1ccncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588662 EH Annotated Anodyne Cc1ccncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588663 EH Annotated Anodyne Cc1ccncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588664 EH Annotated Anodyne C[C@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588951 EH Annotated Anodyne C[C@@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588952 EH Annotated Anodyne C[C@@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588953 EH Annotated Anodyne C[C@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588954 EH Annotated Anodyne Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587589000 EH Annotated Anodyne Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587589002 EH Annotated Anodyne Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587589004 EH Annotated Anodyne Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587589006 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCn1cccc12 ZINC000587589016 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCn1cccc12 ZINC000587589020 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCn1cccc12 ZINC000587589022 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCn1cccc12 ZINC000587589024 EH Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587589140 EH Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587589142 EH Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587589144 EH Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587589146 EH Annotated Anodyne Cc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589179 EH Annotated Anodyne Cc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589180 EH Annotated Anodyne Cc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589181 EH Annotated Anodyne Cc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589182 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccncc1 ZINC000587589187 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccncc1 ZINC000587589188 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccncc1 ZINC000587589189 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccncc1 ZINC000587589190 EH Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 ZINC000587589503 EH Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 ZINC000587589504 EH Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 ZINC000587589505 EH Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 ZINC000587589506 EH Annotated Anodyne Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587589531 EH Annotated Anodyne Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587589532 EH Annotated Anodyne Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587589533 EH Annotated Anodyne Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587589534 EH Annotated Anodyne C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589577 EH Annotated Anodyne C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589578 EH Annotated Anodyne C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589579 EH Annotated Anodyne C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589580 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccn1 ZINC000587589581 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccn1 ZINC000587589582 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccn1 ZINC000587589583 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccn1 ZINC000587589584 EH Annotated Anodyne Cc1[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N ZINC000587589788 EH Annotated Mild Cc1[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N ZINC000587589791 EH Annotated Mild Cc1[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N ZINC000587589792 EH Annotated Mild Cc1[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N ZINC000587589793 EH Annotated Mild Cc1coc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587589899 EH Annotated Anodyne Cc1coc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587589900 EH Annotated Anodyne Cc1coc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587589901 EH Annotated Anodyne Cc1coc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587589902 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cccnc12 ZINC000587589997 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cccnc12 ZINC000587589999 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cccnc12 ZINC000587590002 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cccnc12 ZINC000587590004 EH Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587590101 EH Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587590102 EH Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587590103 EH Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587590104 EH Annotated Anodyne Cc1ccnc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590576 EH Annotated Anodyne Cc1ccnc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590577 EH Annotated Anodyne Cc1ccnc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590580 EH Annotated Anodyne Cc1ccnc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590582 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c[nH]cc12 ZINC000587590651 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c[nH]cc12 ZINC000587590654 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c[nH]cc12 ZINC000587590657 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c[nH]cc12 ZINC000587590661 EH Annotated Anodyne COC(C)(C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590682 EH Annotated Anodyne COC(C)(C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590689 EH Annotated Anodyne COC(C)(C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590692 EH Annotated Anodyne COC(C)(C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590694 EH Annotated Anodyne COC(C)(C)C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590799 EH Annotated Anodyne COC(C)(C)C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590800 EH Annotated Anodyne COC(C)(C)C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590801 EH Annotated Anodyne COC(C)(C)C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590802 EH Annotated Anodyne Cc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590860 EH Annotated Anodyne Cc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590861 EH Annotated Anodyne Cc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590862 EH Annotated Anodyne Cc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590863 EH Annotated Anodyne COC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591782 EH Annotated Anodyne COC[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591792 EH Annotated Anodyne COC[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591794 EH Annotated Anodyne COC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591796 EH Annotated Anodyne CC(C)OC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591808 EH Annotated Anodyne CC(C)OC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591810 EH Annotated Anodyne CC(C)OC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591813 EH Annotated Anodyne CC(C)OC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591815 EH Annotated Anodyne CC(C)OCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592341 EH Annotated Anodyne CC(C)OCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592347 EH Annotated Anodyne CC(C)OCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592349 EH Annotated Anodyne CC(C)OCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592351 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cc[nH]c12 ZINC000587592951 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cc[nH]c12 ZINC000587592952 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc[nH]c12 ZINC000587592953 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc[nH]c12 ZINC000587592954 EH Annotated Anodyne COC(C)(C)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595443 EH Annotated Anodyne COC(C)(C)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595445 EH Annotated Anodyne COC(C)(C)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595447 EH Annotated Anodyne COC(C)(C)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595448 EH Annotated Anodyne COCC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595552 EH Annotated Anodyne COCC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595554 EH Annotated Anodyne COCC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595555 EH Annotated Anodyne COCC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595557 EH Annotated Anodyne CCCC[C@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595804 EH Annotated Anodyne CCCC[C@@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595806 EH Annotated Anodyne CCCC[C@@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595808 EH Annotated Anodyne CCCC[C@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595809 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C2CC2)[nH]n1 ZINC000587596315 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C2CC2)[nH]n1 ZINC000587596316 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C2CC2)[nH]n1 ZINC000587596317 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C2CC2)[nH]n1 ZINC000587596318 EH Annotated Anodyne CCOC1=C[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596357 EH Annotated Anodyne CCOC1=C[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596358 EH Annotated Anodyne CCOC1=C[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596359 EH Annotated Anodyne CCOC1=C[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596360 EH Annotated Anodyne COC[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597131 EH Annotated Anodyne COC[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597132 EH Annotated Anodyne COC[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597133 EH Annotated Anodyne COC[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597134 EH Annotated Anodyne CCO/C=C(\C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598719 EH Annotated Anodyne CCO/C=C(\C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598720 EH Annotated Anodyne CCO/C=C(\C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598721 EH Annotated Anodyne CCO/C=C(\C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598722 EH Annotated Anodyne CC(C)O[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598895 EH Annotated Anodyne CC(C)O[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598899 EH Annotated Anodyne CC(C)O[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598900 EH Annotated Anodyne CC(C)O[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598902 EH Annotated Anodyne COCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599149 EH Annotated Anodyne COCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599150 EH Annotated Anodyne COCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599151 EH Annotated Anodyne COCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599152 EH Annotated Anodyne CCO[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599301 EH Annotated Anodyne CCO[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599302 EH Annotated Anodyne CCO[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599303 EH Annotated Anodyne CCO[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599304 EH Annotated Anodyne COC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599833 EH Annotated Anodyne COC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599834 EH Annotated Anodyne CO[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600282 EH Annotated Anodyne CO[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600283 EH Annotated Anodyne CO[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600284 EH Annotated Anodyne CO[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600285 EH Annotated Anodyne COC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 ZINC000587600521 EH Annotated Anodyne COC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 ZINC000587600523 EH Annotated Anodyne COC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 ZINC000587600525 EH Annotated Anodyne COC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 ZINC000587600527 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCC#CC1CC1 ZINC000587600880 EH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCC#CC1CC1 ZINC000587600887 EH Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCC#CC1CC1 ZINC000587600889 EH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCC#CC1CC1 ZINC000587600891 EH Annotated Mild CCCCC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600988 EH Annotated Anodyne CCCCC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600994 EH Annotated Anodyne CCCCC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600996 EH Annotated Anodyne CCCCC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600998 EH Annotated Anodyne O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601168 EH Annotated Anodyne O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601169 EH Annotated Anodyne O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601170 EH Annotated Anodyne O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601171 EH Annotated Anodyne CO[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601203 EH Annotated Anodyne CO[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601204 EH Annotated Anodyne CO[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601205 EH Annotated Anodyne CO[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601206 EH Annotated Anodyne CC(=O)[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601523 EH Annotated Anodyne CC(=O)[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601526 EH Annotated Anodyne CC(=O)[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601527 EH Annotated Anodyne CC(=O)[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601528 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C#Cc1ccccc1 ZINC000587601766 EH Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C#Cc1ccccc1 ZINC000587601767 EH Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C#Cc1ccccc1 ZINC000587601768 EH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C#Cc1ccccc1 ZINC000587601769 EH Annotated Mild C#C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601770 EH Annotated Mild C#C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601771 EH Annotated Mild C#C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601772 EH Annotated Mild C#C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601773 EH Annotated Mild O=Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601802 EH Annotated Anodyne O=Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601803 EH Annotated Anodyne O=Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601804 EH Annotated Anodyne O=Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601805 EH Annotated Anodyne O=C(c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602018 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)c1ccccc1 ZINC000587602019 EH Annotated Anodyne O=C(c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602020 EH Annotated Anodyne O=C(c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602021 EH Annotated Anodyne CC(C)CC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602110 EH Annotated Anodyne CC(C)CC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602111 EH Annotated Anodyne CC(C)CC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602112 EH Annotated Anodyne CC(C)CC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602113 EH Annotated Anodyne CC(C)OC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587602215 EH Annotated Anodyne CC(C)OC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587602216 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1ccccc12 ZINC000587602238 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1ccccc12 ZINC000587602239 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1ccccc12 ZINC000587602240 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1ccccc12 ZINC000587602241 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12Cc1ccccc1C2 ZINC000587602262 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12Cc1ccccc1C2 ZINC000587602263 EH Annotated Anodyne CCCC[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602368 EH Annotated Anodyne CCCC[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602369 EH Annotated Anodyne CCCC[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602370 EH Annotated Anodyne CCCC[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602371 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1 ZINC000587602968 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1 ZINC000587602972 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1 ZINC000587602975 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1 ZINC000587602977 EH Annotated Anodyne CCOC1CC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587603080 EH Annotated Anodyne CCOC1CC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587603083 EH Annotated Anodyne CCOC1CC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587603085 EH Annotated Anodyne CCOC1CC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587603087 EH Annotated Anodyne O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604785 EH Annotated Anodyne O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604786 EH Annotated Anodyne O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604787 EH Annotated Anodyne O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604788 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000587604934 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1C[C@H]2C=C[C@H]1C2 ZINC000587604943 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000587604944 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@H]2C=C[C@H]1C2 ZINC000587604945 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000587604946 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1C[C@H]2C=C[C@H]1C2 ZINC000587604947 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@H]2C=C[C@H]1C2 ZINC000587604948 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000587604949 EH Annotated Anodyne C#CC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605158 EH Annotated Mild C#CC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605160 EH Annotated Mild C#C[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605303 EH Annotated Mild C#C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605304 EH Annotated Mild C#C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605305 EH Annotated Mild C#C[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605306 EH Annotated Mild CC[C@]1(CSC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605389 EH Annotated Anodyne CC[C@]1(CSC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605392 EH Annotated Anodyne CC[C@@]1(CSC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605394 EH Annotated Anodyne CC[C@@]1(CSC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605395 EH Annotated Anodyne CC(C)SC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605739 EH Annotated Anodyne CC(C)SC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605742 EH Annotated Anodyne CC(C)SC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605743 EH Annotated Anodyne CC(C)SC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605746 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1O ZINC000587607289 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1O ZINC000587607290 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1O ZINC000587607291 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1O ZINC000587607292 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1 ZINC000587607334 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1 ZINC000587607335 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1 ZINC000587607336 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1 ZINC000587607337 EH Annotated Anodyne C[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608060 EH Annotated Anodyne C[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608062 EH Annotated Anodyne C[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608063 EH Annotated Anodyne C[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608064 EH Annotated Anodyne C[C@H](O)CCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608346 EH Annotated Anodyne C[C@@H](O)CCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608347 EH Annotated Anodyne C[C@H](O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608349 EH Annotated Anodyne C[C@H](O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608350 EH Annotated Anodyne C[C@@H](O)CCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608352 EH Annotated Anodyne C[C@@H](O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608354 EH Annotated Anodyne C[C@@H](O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608520 EH Annotated Anodyne C[C@H](O)CCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608521 EH Annotated Anodyne C[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608546 EH Annotated Anodyne C[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608547 EH Annotated Anodyne C[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608548 EH Annotated Anodyne C[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608549 EH Annotated Anodyne CS[C@H](C)C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609281 EH Annotated Anodyne CS[C@H](C)C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609282 EH Annotated Anodyne CS[C@H](C)C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609284 EH Annotated Anodyne CS[C@H](C)C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609286 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 ZINC000587609680 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 ZINC000587609681 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 ZINC000587609682 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 ZINC000587609683 EH Annotated Anodyne Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609763 EH Annotated Anodyne Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609777 EH Annotated Anodyne Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609780 EH Annotated Anodyne Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609783 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CO)cc1 ZINC000587610055 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CO)cc1 ZINC000587610057 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CO)cc1 ZINC000587610058 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CO)cc1 ZINC000587610060 EH Annotated Anodyne CC[C@]1([C@H](C)S)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610420 EH Annotated Mild CC[C@]1([C@@H](C)S)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610423 EH Annotated Mild CC[C@]1([C@H](C)S)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610425 EH Annotated Mild CC[C@]1([C@@H](C)S)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610427 EH Annotated Mild C[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610520 EH Annotated Anodyne C[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610521 EH Annotated Anodyne C[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610522 EH Annotated Anodyne C[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610523 EH Annotated Anodyne CC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 ZINC000587610705 EH Annotated Anodyne CC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 ZINC000587610708 EH Annotated Anodyne CC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 ZINC000587610711 EH Annotated Anodyne CC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 ZINC000587610712 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC1CCOCC1 ZINC000587612028 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CC1CCOCC1 ZINC000587612030 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC1CCOCC1 ZINC000587612031 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CC1CCOCC1 ZINC000587612033 EH Annotated Anodyne CSCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612255 EH Annotated Anodyne CSCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612256 EH Annotated Anodyne CSCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612257 EH Annotated Anodyne CSCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612258 EH Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613152 EH Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613153 EH Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613154 EH Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613155 EH Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613419 EH Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613421 EH Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613422 EH Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613424 EH Annotated Anodyne Cc1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587614471 EH Annotated Anodyne Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587614472 EH Annotated Anodyne Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587614473 EH Annotated Anodyne Cc1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587614474 EH Annotated Anodyne COc1ccoc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614576 EH Annotated Anodyne COc1ccoc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614577 EH Annotated Anodyne COc1ccoc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614578 EH Annotated Anodyne COc1ccoc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614579 EH Annotated Anodyne CSC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587614666 EH Annotated Anodyne CSC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587614667 EH Annotated Anodyne CSC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587614668 EH Annotated Anodyne CSC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587614669 EH Annotated Anodyne CSCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614698 EH Annotated Anodyne CSCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614699 EH Annotated Anodyne CSCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614700 EH Annotated Anodyne CSCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614701 EH Annotated Anodyne CC1(C)C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587614905 EH Annotated Anodyne CC1(C)C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587614907 EH Annotated Anodyne CC1(C)C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587614909 EH Annotated Anodyne CC1(C)C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587614910 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@H]1CCCOC1 ZINC000587615333 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@@H]1CCCOC1 ZINC000587615335 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@@H]1CCCOC1 ZINC000587615338 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@H]1CCCOC1 ZINC000587615340 EH Annotated Anodyne CCSCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615891 EH Annotated Anodyne CCSCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615892 EH Annotated Anodyne CCSCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615893 EH Annotated Anodyne CCSCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615894 EH Annotated Anodyne Cc1scnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615917 EH Annotated Anodyne Cc1scnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615919 EH Annotated Anodyne Cc1scnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615920 EH Annotated Anodyne Cc1scnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615921 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC1(CSC1)C2 ZINC000587616090 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC1(CSC1)C2 ZINC000587616091 EH Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616177 EH Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616178 EH Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616180 EH Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616182 EH Annotated Anodyne C[C@]1(C[C@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616242 EH Annotated Anodyne C[C@]1(C[C@@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616243 EH Annotated Anodyne C[C@]1(C[C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616244 EH Annotated Anodyne C[C@]1(C[C@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616245 EH Annotated Anodyne CCC1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 ZINC000587616246 EH Annotated Anodyne CCC1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 ZINC000587616247 EH Annotated Anodyne CCC1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 ZINC000587616248 EH Annotated Anodyne CCC1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 ZINC000587616249 EH Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sn1 ZINC000587616303 EH Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sn1 ZINC000587616304 EH Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sn1 ZINC000587616305 EH Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sn1 ZINC000587616306 EH Annotated Anodyne C[C@]1(c2cncs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616376 EH Annotated Anodyne C[C@]1(c2cncs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616377 EH Annotated Anodyne C[C@@]1(c2cncs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616378 EH Annotated Anodyne C[C@@]1(c2cncs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616379 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccns1 ZINC000587616521 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccns1 ZINC000587616522 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccns1 ZINC000587616523 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccns1 ZINC000587616524 EH Annotated Anodyne CC1(C)CCO[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616657 EH Annotated Anodyne CC1(C)CCO[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616658 EH Annotated Anodyne CC1(C)CCO[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616659 EH Annotated Anodyne CC1(C)CCO[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616660 EH Annotated Anodyne C[C@]1(C[C@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616685 EH Annotated Anodyne C[C@]1(C[C@@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616686 EH Annotated Anodyne C[C@]1(C[C@@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616687 EH Annotated Anodyne C[C@]1(C[C@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616688 EH Annotated Anodyne O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587616689 EH Annotated Anodyne O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587616690 EH Annotated Anodyne O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587616691 EH Annotated Anodyne O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587616692 EH Annotated Anodyne Cc1ncsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616906 EH Annotated Anodyne Cc1ncsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616907 EH Annotated Anodyne Cc1ncsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616908 EH Annotated Anodyne Cc1ncsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616909 EH Annotated Anodyne C[C@]1(c2cscn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616930 EH Annotated Anodyne C[C@]1(c2cscn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616931 EH Annotated Anodyne C[C@@]1(c2cscn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616932 EH Annotated Anodyne C[C@@]1(c2cscn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616933 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnsc1 ZINC000587617556 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnsc1 ZINC000587617557 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnsc1 ZINC000587617558 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnsc1 ZINC000587617559 EH Annotated Anodyne CC[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617705 EH Annotated Anodyne CC[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617707 EH Annotated Anodyne CC[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617709 EH Annotated Anodyne CC[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617710 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccs1 ZINC000587617761 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccs1 ZINC000587617763 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccs1 ZINC000587617764 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccs1 ZINC000587617765 EH Annotated Anodyne C[C@]1([C@@H]2CCCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618247 EH Annotated Anodyne C[C@]1([C@H]2CCCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618248 EH Annotated Anodyne C[C@]1([C@H]2CCCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618249 EH Annotated Anodyne C[C@]1([C@@H]2CCCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618250 EH Annotated Anodyne C[C@]1([C@@]2(C)CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618279 EH Annotated Anodyne C[C@]1([C@@]2(C)CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618280 EH Annotated Anodyne C[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCO1 ZINC000587618281 EH Annotated Anodyne C[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCO1 ZINC000587618282 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCSC2 ZINC000587618669 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCSC2 ZINC000587618670 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCSC2 ZINC000587618671 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCSC2 ZINC000587618672 EH Annotated Anodyne CC[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618932 EH Annotated Anodyne CC[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618933 EH Annotated Anodyne CC[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618934 EH Annotated Anodyne CC[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618935 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCSC1 ZINC000587619174 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCCSC1 ZINC000587619175 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCCSC1 ZINC000587619176 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCCSC1 ZINC000587619177 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cscn1 ZINC000587619317 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cscn1 ZINC000587619318 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cscn1 ZINC000587619319 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cscn1 ZINC000587619320 EH Annotated Anodyne Cc1nscc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619463 EH Annotated Anodyne Cc1nscc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619464 EH Annotated Anodyne Cc1nscc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619465 EH Annotated Anodyne Cc1nscc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619575 EH Annotated Anodyne CC1(C)CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587619603 EH Annotated Anodyne CC1(C)CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587619605 EH Annotated Anodyne CC1(C)CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587619607 EH Annotated Anodyne CC1(C)CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587619609 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@@H]1CCCO1 ZINC000587619701 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC[C@H]1CCCO1 ZINC000587619702 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@H]1CCCO1 ZINC000587619704 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC[C@@H]1CCCO1 ZINC000587619705 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@H]1CCOC1 ZINC000587619812 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC[C@@H]1CCOC1 ZINC000587619813 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@@H]1CCOC1 ZINC000587619814 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC[C@H]1CCOC1 ZINC000587619815 EH Annotated Anodyne C[C@@H]1SCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587619945 EH Annotated Anodyne C[C@@H]1SCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587619946 EH Annotated Anodyne C[C@@H]1SCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587619947 EH Annotated Anodyne C[C@@H]1SCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587619948 EH Annotated Anodyne C[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620054 EH Annotated Anodyne C[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620055 EH Annotated Anodyne C[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620056 EH Annotated Anodyne C[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620057 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCSCC2 ZINC000587620098 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCSCC2 ZINC000587620099 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncs1 ZINC000587620128 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncs1 ZINC000587620129 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncs1 ZINC000587620130 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncs1 ZINC000587620131 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCSCC1 ZINC000587620339 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCSCC1 ZINC000587620340 EH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCSCC1 ZINC000587620341 EH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCSCC1 ZINC000587620342 EH Annotated Anodyne C[C@]1(c2ccns2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620357 EH Annotated Anodyne C[C@]1(c2ccns2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620358 EH Annotated Anodyne C[C@@]1(c2ccns2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620359 EH Annotated Anodyne C[C@@]1(c2ccns2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620360 EH Annotated Anodyne CCOc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621256 EH Annotated Reactive N#Cc1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621802 EH Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F ZINC000587622121 EH Annotated Anodyne Cc1c(-c2cncn2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622411 EH Annotated Anodyne CC(=O)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622416 EH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)F ZINC000587622424 EH Annotated Anodyne Cn1cccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C#N ZINC000587622458 EH Annotated Mild N#Cc1c([C@@H]2CCCOC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622478 EH Annotated Mild N#Cc1c([C@H]2CCCOC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622482 EH Annotated Mild CCN(CC)C(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622526 EH Annotated Anodyne Cc1c(-c2cnn(C)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622566 EH Annotated Anodyne CCc1nccn1-c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622572 EH Annotated Anodyne Cc1c(-c2ccnn2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622600 EH Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C ZINC000587622749 EH Annotated Anodyne N#Cc1c(-c2ccco2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622777 EH Annotated Mild Cc1c(-c2cnn(C)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622825 EH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN(C)C(C)C ZINC000587622826 EH Annotated Anodyne Cc1c(-c2ccn(C)n2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622847 EH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cn1ccnc1C ZINC000587622873 EH Annotated Anodyne CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)cn1 ZINC000587622927 EH Annotated Anodyne Cc1ccn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623079 EH Annotated Anodyne Cc1ncn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1C ZINC000587623099 EH Annotated Anodyne Cc1c([C@H](C)CN(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623109 EH Annotated Anodyne Cc1c([C@@H](C)CN(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623110 EH Annotated Anodyne CCN(CC)CCc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623165 EH Annotated Anodyne Cc1cnn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587623169 EH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCN(C)C ZINC000587623170 EH Annotated Anodyne CCN(CC)Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623307 EH Annotated Anodyne N#Cc1c(-c2ccoc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623309 EH Annotated Mild Cc1c(-c2c[nH]ccc2=N)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623346 EH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1nccc1C ZINC000587623363 EH Annotated Anodyne Cc1c(-c2nccn2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623370 EH Annotated Anodyne COc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623427 EH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ncccn1 ZINC000587623455 EH Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)no1 ZINC000587623470 EH Annotated Mild CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cncn1 ZINC000587623472 EH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cnn(C)c1 ZINC000587623531 EH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cnccn1 ZINC000587623536 EH Annotated Anodyne Cc1cc(C)n(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623557 EH Annotated Anodyne N#Cc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623626 EH Annotated Mild N#Cc1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623638 EH Annotated Mild N#Cc1c(C2CCOCC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623672 EH Annotated Mild N#Cc1c(-c2ccc[nH]2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623793 EH Annotated Mild Cc1c(-c2cnccn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623821 EH Annotated Anodyne N#Cc1c(-c2ccncc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587624017 EH Annotated Mild Cc1cc(Cl)cc2c([C@H](O)CC#N)c(CC(=O)OC(C)(C)C)[nH]c12 ZINC000587624189 EH Annotated Mild Cc1cc(Cl)cc2c(C(=O)OC(C)(C)C)c(C[C@H](O)CC#N)[nH]c12 ZINC000587624307 EH Annotated Mild COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccncc1 ZINC000587625117 EH Annotated Anodyne Nc1c(CCC(=O)O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625870 EH Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1-n1c(=O)oc(=O)c2ccccc21 ZINC000587625983 EH Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2c(C)cc(Cl)cc2c1N1CCOCC1 ZINC000587626002 EH Annotated Anodyne Cc1cc(Cl)cc2c(CC(=O)O)c(-c3ccccc3NC=O)[nH]c12 ZINC000587626013 EH Annotated Anodyne COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587626059 EH Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N(C)CCO ZINC000587626680 EH Annotated Anodyne COC(=O)c1cccc(-c2[nH]c3c(C)cc(Cl)cc3c2C#N)n1 ZINC000587626701 EH Annotated Mild COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c(C)cc(Cl)cc12 ZINC000587626839 EH Annotated Anodyne CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cccnc1 ZINC000587627286 EH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627354 EH Annotated Anodyne CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2N2CCOCC2)cn1 ZINC000587627389 EH Annotated Anodyne Cc1cc(Cl)cc2c(-n3cc(C(=O)O)nn3)c(C(C)(C)C)[nH]c12 ZINC000587627448 EH Annotated Anodyne CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccccn1 ZINC000587627465 EH Annotated Anodyne COc1cc(-c2[nH]c3c(C)cc(Cl)cc3c2CC(=O)O)ccn1 ZINC000587627473 EH Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cccnc1 ZINC000587627502 EH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627505 EH Annotated Anodyne CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587627759 EH Annotated Anodyne Nc1[nH]cnc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N ZINC000587628123 EH Annotated Anodyne CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587628482 EH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)F ZINC000587629123 EH Annotated Anodyne CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)F ZINC000587629144 EH Annotated Anodyne Cn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cn1 ZINC000587629264 EH Annotated Anodyne Cn1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)n1 ZINC000587629309 EH Annotated Anodyne Cn1cc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cn1 ZINC000587629340 EH Annotated Anodyne Cn1ccc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)n1 ZINC000587629398 EH Annotated Anodyne Cn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cn1 ZINC000587629420 EH Annotated Anodyne Cn1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)n1 ZINC000587629463 EH Annotated Anodyne Cn1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)n1 ZINC000587629525 EH Annotated Anodyne Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cn1 ZINC000587629541 EH Annotated Anodyne Cn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cn1 ZINC000587629721 EH Annotated Anodyne Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)n1 ZINC000587629756 EH Annotated Anodyne Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cn1 ZINC000587629840 EH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1[nH]c2cc(Cl)c(F)cc2c1CC ZINC000587630058 EH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1[nH]c2cc(Cl)c(F)cc2c1CC ZINC000587630059 EH Annotated Anodyne Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)n1 ZINC000587630296 EH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CC ZINC000587630654 EH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CC ZINC000587630655 EH Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1CCOc1ccccc1C(N)=O ZINC000587630702 EH Annotated Anodyne N[C@H](Cc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12)C(=O)O ZINC000587630719 EH Annotated Anodyne N[C@@H](Cc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12)C(=O)O ZINC000587630720 EH Annotated Anodyne COC(=O)c1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)n1 ZINC000587631387 EH Annotated Mild COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631491 EH Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1-n1c(=O)oc(=O)c2ccccc21 ZINC000587631503 EH Annotated Anodyne COC(=O)c1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)n1 ZINC000587631523 EH Annotated Mild C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(Cl)c(F)cc12 ZINC000587631568 EH Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(Cl)c(F)cc12 ZINC000587631569 EH Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(Cl)c(F)cc12 ZINC000587631570 EH Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(Cl)c(F)cc12 ZINC000587631571 EH Annotated Anodyne O=CNc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1CC(=O)O ZINC000587631628 EH Annotated Anodyne COC(=O)Cc1c(-c2ccccc2N)[nH]c2ccc(F)c(Cl)c12 ZINC000587631629 EH Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1-n1cnc2ccccc2c1=O ZINC000587631677 EH Annotated Anodyne CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccccn1 ZINC000587631685 EH Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cc(Cl)c(F)cc2c1N1CCOCC1 ZINC000587631727 EH Annotated Anodyne COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc(Cl)c(F)cc12 ZINC000587631750 EH Annotated Anodyne C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(F)c(Cl)c12 ZINC000587631788 EH Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(F)c(Cl)c12 ZINC000587631789 EH Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(F)c(Cl)c12 ZINC000587631790 EH Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(F)c(Cl)c12 ZINC000587631791 EH Annotated Anodyne COC(=O)Cc1c(-c2ccccc2N)[nH]c2cc(Cl)c(F)cc12 ZINC000587631841 EH Annotated Anodyne O=CNc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1CC(=O)O ZINC000587631882 EH Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1CCOc1ccccc1C(N)=O ZINC000587631900 EH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631920 EH Annotated Anodyne COc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2CC(=O)O)ccn1 ZINC000587631930 EH Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1-n1cnc2ccccc2c1=O ZINC000587631932 EH Annotated Anodyne CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631963 EH Annotated Anodyne CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1-n1cc(C(=O)O)nn1 ZINC000587631994 EH Annotated Anodyne CC(C)(C)c1[nH]c2cc(F)ccc2c1NC(=O)CBr ZINC000587632021 EH Annotated Reactive CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2cc(Cl)c(F)cc12 ZINC000587632111 EH Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2ccc(F)c(Cl)c2c1N1CCOCC1 ZINC000587632112 EH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632115 EH Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1-n1c(=O)oc(=O)c2ccccc21 ZINC000587632177 EH Annotated Anodyne O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2cccc(F)c12 ZINC000587632221 EH Annotated Reactive CC(C)(C)c1[nH]c2cccc(F)c2c1NC(=O)CBr ZINC000587632251 EH Annotated Reactive CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632279 EH Annotated Anodyne CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1-n1cc(C(=O)O)nn1 ZINC000587632351 EH Annotated Anodyne COc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)ccn1 ZINC000587632374 EH Annotated Anodyne CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCOCC2)cn1 ZINC000587632404 EH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cccc(F)c12 ZINC000587632448 EH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccccn1 ZINC000587632525 EH Annotated Anodyne CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCOCC2)cn1 ZINC000587632538 EH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cccnc1 ZINC000587632603 EH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cc(F)ccc12 ZINC000587632670 EH Annotated Anodyne O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2cc(F)ccc12 ZINC000587632762 EH Annotated Reactive CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587632839 EH Annotated Anodyne COC(=O)c1c(-c2cncc(Br)c2)[nH]c2cc(F)ccc12 ZINC000587632849 EH Annotated Anodyne COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccccc1Cl ZINC000587632941 EH Annotated Anodyne COC(=O)c1c(-c2cncc(Br)c2)[nH]c2cccc(F)c12 ZINC000587633038 EH Annotated Anodyne COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Cl)cc1 ZINC000587633095 EH Annotated Anodyne COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cccc(Cl)c1 ZINC000587633116 EH Annotated Anodyne CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cccnc1 ZINC000587633165 EH Annotated Anodyne COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cccc(Cl)c1 ZINC000587633185 EH Annotated Anodyne COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cccc(F)c12 ZINC000587633215 EH Annotated Anodyne COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccccc1Cl ZINC000587633289 EH Annotated Anodyne Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cnn1C ZINC000587633381 EH Annotated Anodyne CCn1cc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cn1 ZINC000587633450 EH Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2cccc(F)c12 ZINC000587633539 EH Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cc(F)ccc2c1C(=O)C(F)(F)F ZINC000587633612 EH Annotated Anodyne Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cnn1C ZINC000587633733 EH Annotated Anodyne Cc1c(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cnn1C ZINC000587633830 EH Annotated Anodyne CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cn1 ZINC000587633835 EH Annotated Anodyne COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2cccc(F)c12 ZINC000587633884 EH Annotated Anodyne COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1c(F)cccc1F ZINC000587633916 EH Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587633931 EH Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2cc(F)ccc12 ZINC000587633936 EH Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cccc(F)c2c1C(=O)C(F)(F)F ZINC000587633957 EH Annotated Anodyne Cc1c(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cnn1C ZINC000587634015 EH Annotated Anodyne COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1c(F)cccc1F ZINC000587634055 EH Annotated Anodyne COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2cc(F)ccc12 ZINC000587634056 EH Annotated Anodyne CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(F)cc1 ZINC000587634136 EH Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2cccc(F)c12 ZINC000587634158 EH Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2cc(F)ccc12 ZINC000587634200 EH Annotated Anodyne CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cn1 ZINC000587634218 EH Annotated Anodyne CCn1cc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cn1 ZINC000587634263 EH Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587634322 EH Annotated Anodyne CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccccc1F ZINC000587634519 EH Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2cc(F)ccc12 ZINC000587634547 EH Annotated Anodyne COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cc(F)ccc1F ZINC000587634591 EH Annotated Anodyne CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(C#N)cc1 ZINC000587634629 EH Annotated Mild O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2cc(F)ccc12 ZINC000587634737 EH Annotated Anodyne CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2cccc(F)c12 ZINC000587634838 EH Annotated Anodyne CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccccc1F ZINC000587634843 EH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(F)ccc2c1CCCO ZINC000587634882 EH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cccc(F)c12 ZINC000587635001 EH Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2cccc(F)c12 ZINC000587635007 EH Annotated Anodyne CCOC(=O)Cc1[nH]c2cccc(F)c2c1-c1ccccc1[N+](=O)[O-] ZINC000587635009 EH Annotated Bother O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2cccc(F)c12 ZINC000587635022 EH Annotated Anodyne COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cc(F)ccc1F ZINC000587635026 EH Annotated Anodyne CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(F)cc1 ZINC000587635028 EH Annotated Anodyne CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2cc(F)ccc12 ZINC000587635186 EH Annotated Anodyne O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2cccc(F)c12 ZINC000587635448 EH Annotated Anodyne CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2cccc(F)c12 ZINC000587635604 EH Annotated Anodyne CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(C#N)cc1 ZINC000587635694 EH Annotated Mild CCOC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2cccc(F)c12 ZINC000587635985 EH Annotated Mild Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cccc(F)c12 ZINC000587635996 EH Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(F)ccc2c1NC(=O)OC(C)(C)C ZINC000587636014 EH Annotated Anodyne CCOC(=O)Cc1[nH]c2cccc(F)c2c1NC(=O)OC(C)(C)C ZINC000587636033 EH Annotated Anodyne CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 ZINC000587636049 EH Annotated Anodyne Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cc(F)ccc12 ZINC000587636082 EH Annotated Anodyne COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2cccc(F)c12 ZINC000587636151 EH Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2cccc(F)c12 ZINC000587636152 EH Annotated Bother CCOC(=O)Cc1[nH]c2cc(F)ccc2c1-c1ccccc1[N+](=O)[O-] ZINC000587636312 EH Annotated Bother C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc(F)c2c1CCCO ZINC000587636389 EH Annotated Anodyne Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)c2ccccc2C1=O ZINC000587636642 EH Annotated Anodyne CN1CCN(c2ccc(-c3[nH]c4cc(F)ccc4c3C#N)cc2)CC1 ZINC000587636651 EH Annotated Mild CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cc(F)ccc3c2C#N)c1C ZINC000587636658 EH Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]c3cc(F)ccc3c2C#N)C1 ZINC000587636872 EH Annotated Mild CC(C)(C)OC(=O)N1CC[C@H](c2[nH]c3cc(F)ccc3c2C#N)C1 ZINC000587636873 EH Annotated Mild Cc1nn(-c2c(C)[nH]c3c(C(=O)O)cccc23)c(C)c1Br ZINC000587636915 EH Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000587636924 EH Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000587636925 EH Annotated Anodyne CN1CCN(c2ccc(-c3[nH]c4cccc(F)c4c3C#N)cc2)CC1 ZINC000587636931 EH Annotated Mild CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cccc(F)c3c2C#N)c1C ZINC000587637030 EH Annotated Mild C[C@@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587637048 EH Annotated Anodyne C[C@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587637049 EH Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)c2ccccc2C1=O ZINC000587637106 EH Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637174 EH Annotated Anodyne Cc1[nH]c2cccc(F)c2c1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000587637263 EH Annotated Anodyne Cc1[nH]c2cccc(F)c2c1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000587637264 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]c3cccc(F)c3c2C#N)C1 ZINC000587637282 EH Annotated Mild CC(C)(C)OC(=O)N1CC[C@H](c2[nH]c3cccc(F)c3c2C#N)C1 ZINC000587637283 EH Annotated Mild CCOC(=O)c1c(-c2cccc(C#N)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637345 EH Annotated Mild COc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)F ZINC000587637385 EH Annotated Anodyne CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587637466 EH Annotated Anodyne O=C(CCl)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637524 EH Annotated Reactive CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)c(C)n1 ZINC000587637611 EH Annotated Anodyne CC(=O)c1c(C(F)(F)Br)[nH]c2c(C(=O)O)cccc12 ZINC000587637620 EH Annotated Anodyne O=C(O)c1cccc2c(C3OCCO3)c(-c3cccc(F)c3)[nH]c12 ZINC000587637647 EH Annotated Anodyne C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637697 EH Annotated Anodyne C[C@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637698 EH Annotated Anodyne CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637719 EH Annotated Anodyne COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccncn2)cc1 ZINC000587637827 EH Annotated Clean O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(O)cc3)[nH]c12 ZINC000587637842 EH Annotated Anodyne COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(F)c(F)c1 ZINC000587637850 EH Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637921 EH Annotated Anodyne CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1cccc(F)c1 ZINC000587637927 EH Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cc(Cl)ccc1O ZINC000587637965 EH Annotated Anodyne CCn1ncc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)c1C ZINC000587638004 EH Annotated Anodyne C[C@@](O)(c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12)C(F)(F)F ZINC000587638009 EH Annotated Anodyne C[C@](O)(c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12)C(F)(F)F ZINC000587638016 EH Annotated Anodyne CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587638018 EH Annotated Anodyne O=C(c1cccnc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638022 EH Annotated Anodyne O=C(O)c1cccc2c(-n3cc([N+](=O)[O-])cn3)c(-c3ccccc3)[nH]c12 ZINC000587638025 EH Annotated Bother COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CN(C)C)cc1F ZINC000587638047 EH Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)ccc2O)[nH]c2c(C(=O)O)cccc12 ZINC000587638060 EH Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cccnc3)[nH]c12 ZINC000587638089 EH Annotated Anodyne COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587638112 EH Annotated Anodyne O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 ZINC000587638200 EH Annotated Anodyne O=C(c1cccnc1)c1c(-c2cccnc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638290 EH Annotated Anodyne CCn1ncc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)c1C ZINC000587638294 EH Annotated Anodyne CCn1cc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)c(C)n1 ZINC000587638344 EH Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccncc3)[nH]c12 ZINC000587638360 EH Annotated Anodyne CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587638441 EH Annotated Anodyne CC(C)(C)OC(=O)Nc1c(CCCC=O)[nH]c2c(C(=O)O)cccc12 ZINC000587638528 EH Annotated Mild Cc1[nH]c2c(C(=O)O)cccc2c1[C@@](O)(c1ccccc1)C(F)(F)F ZINC000587638559 EH Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@](O)(c1ccccc1)C(F)(F)F ZINC000587638560 EH Annotated Anodyne CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2c(C(=O)O)cccc12 ZINC000587638590 EH Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccccn3)[nH]c12 ZINC000587638707 EH Annotated Anodyne CCOC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638740 EH Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2c(C(=O)O)cccc12 ZINC000587638764 EH Annotated Anodyne O=C(c1ccccn1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638789 EH Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]c12 ZINC000587638846 EH Annotated Anodyne O=CCCc1c(Cc2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587639051 EH Annotated Mild N#Cc1c(-c2ccc(Br)o2)[nH]c2c(C(=O)O)cccc12 ZINC000587639200 EH Annotated Mild N#Cc1c(-c2cncc(Br)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587639206 EH Annotated Mild O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 ZINC000587639235 EH Annotated Anodyne COC(=O)c1c(-c2ccccc2Cl)[nH]c2c(C(=O)O)cccc12 ZINC000587639262 EH Annotated Anodyne O=C(O)CCc1c(-c2ccc(Cl)cn2)[nH]c2c(C(=O)O)cccc12 ZINC000587639268 EH Annotated Anodyne O=C(c1ccncc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587639276 EH Annotated Anodyne Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3c(C(=O)O)cccc23)n1 ZINC000587639381 EH Annotated Anodyne O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2c(C(=O)O)cccc12 ZINC000587639494 EH Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(S(=O)(=O)N(C)C)c2c1 ZINC000587641613 EH Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(S(=O)(=O)N(C)C)c2c1 ZINC000587641614 EH Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(N3CCOCC3)c2c1 ZINC000587642256 EH Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(N3CCOCC3)c2c1 ZINC000587642257 EH Annotated Anodyne N#Cc1c(-c2cncc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643126 EH Annotated Mild Cc1nn(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1Br ZINC000587643288 EH Annotated Bother O=[N+]([O-])c1cccc2[nH]c(CCl)c(-n3nnc4ccccc43)c12 ZINC000587643429 EH Annotated Reactive Cc1nn(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(C)c1Br ZINC000587643557 EH Annotated Bother CCOC(=O)c1cn(-c2c(C)[nH]c3ccc([C@H](C)CC)cc23)nn1 ZINC000587643703 EH Annotated Anodyne CCOC(=O)c1cn(-c2c(C)[nH]c3ccc([C@@H](C)CC)cc23)nn1 ZINC000587643710 EH Annotated Anodyne N#Cc1c(-c2ccc(Br)o2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644062 EH Annotated Mild N#Cc1c(-c2cncc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644278 EH Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cc(C)on3)c2c1 ZINC000587644285 EH Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cc(C)on3)c2c1 ZINC000587644286 EH Annotated Anodyne N#Cc1c(-c2ccc(Br)o2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644289 EH Annotated Mild O=C(CCl)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644425 EH Annotated Reactive O=C(O)Cc1c(-c2cc(Cl)ccc2O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644613 EH Annotated Bother O=C(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000587644681 EH Annotated Bother O=C(c1cccnc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644737 EH Annotated Bother CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644769 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(O)(C(F)(F)F)C(F)(F)F ZINC000587644845 EH Annotated Bother O=C(c1ccccn1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644852 EH Annotated Bother O=C(c1c(-c2ccncc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587644925 EH Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(O)(C(F)(F)F)C(F)(F)F ZINC000587644975 EH Annotated Bother CCOC(=O)CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645021 EH Annotated Bother O=C(c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000587645054 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cc(Cl)ccc1O ZINC000587645167 EH Annotated Bother O=C(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587645203 EH Annotated Bother O=C(c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587645231 EH Annotated Bother O=C(c1ccncc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645268 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NCc1ccc(Cl)cc1 ZINC000587645280 EH Annotated Bother O=C(c1ccccn1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645306 EH Annotated Bother C[C@](O)(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000587645321 EH Annotated Bother C[C@@](O)(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000587645322 EH Annotated Bother O=C(c1cccnc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645365 EH Annotated Bother O=[N+]([O-])c1ccc2c(-n3cncn3)c(-c3ccc(F)cc3F)[nH]c2c1 ZINC000587645406 EH Annotated Bother CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cccc(F)c1 ZINC000587645407 EH Annotated Bother COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CN(C)C)cc1F ZINC000587645415 EH Annotated Bother CC(=O)c1c(C(F)(F)Br)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645429 EH Annotated Bother C[C@](O)(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587645459 EH Annotated Bother C[C@@](O)(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587645461 EH Annotated Bother CC(=O)c1c(C(F)(F)Br)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645462 EH Annotated Bother O=C(c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587645464 EH Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)Br ZINC000587645516 EH Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1c([N+](=O)[O-])ccc(O)c1F ZINC000587645521 EH Annotated Bother CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645534 EH Annotated Bother O=C(c1ccncc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645595 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)Br ZINC000587645617 EH Annotated Bother CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645618 EH Annotated Bother O=C(O)Cc1c(-c2cc(F)cc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645623 EH Annotated Bother CCn1ncc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c1C ZINC000587645647 EH Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3cccc(F)c3)c(C3OCCO3)c12 ZINC000587645712 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1c([N+](=O)[O-])ccc(O)c1F ZINC000587645729 EH Annotated Bother CCn1ncc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)c1C ZINC000587645774 EH Annotated Bother COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)cc1F ZINC000587645850 EH Annotated Bother CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645880 EH Annotated Bother COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)cc1F ZINC000587645978 EH Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1cc(C(F)(F)F)ccc1=O ZINC000587645985 EH Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(F)c(F)c1 ZINC000587646010 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(F)cc1F ZINC000587646011 EH Annotated Bother COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CN(C)C)cc1F ZINC000587646069 EH Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3F)c(-n3cncn3)c12 ZINC000587646080 EH Annotated Bother CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646095 EH Annotated Bother CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)c(C)n1 ZINC000587646123 EH Annotated Bother COC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(F)c(F)c1 ZINC000587646132 EH Annotated Bother O=C(O)Cc1c(-c2ccc(F)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646138 EH Annotated Bother O=CCCc1c(Cc2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646146 EH Annotated Mild O=CCCc1c(Cc2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646154 EH Annotated Mild O=C(O)Cc1c(-c2ccc(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646197 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1cc(C(F)(F)F)ccc1=O ZINC000587646198 EH Annotated Bother O=[N+]([O-])c1ccc2c(C3OCCO3)c(-c3cccc(F)c3)[nH]c2c1 ZINC000587646208 EH Annotated Bother O=C(O)Cc1c(-c2cc(F)ccc2F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646232 EH Annotated Bother CCn1ncc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)c1C ZINC000587646243 EH Annotated Bother CCn1cc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)c(C)n1 ZINC000587646247 EH Annotated Bother CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)c(C)n1 ZINC000587646363 EH Annotated Bother CCn1ncc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)c1C ZINC000587646588 EH Annotated Bother CCn1cc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c(C)n1 ZINC000587646632 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587646892 EH Annotated Bother CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647045 EH Annotated Bother CCOC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647062 EH Annotated Mild Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(N(C)C)cc1 ZINC000587647088 EH Annotated Bother CC(=O)Nc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(C)=O)c1 ZINC000587647092 EH Annotated Bother CC(=O)Nc1cccc(C(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000587647145 EH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NCCCc1ccccc1 ZINC000587647156 EH Annotated Bother CC(C)(C)OC(=O)Nc1c(CCCC=O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647285 EH Annotated Mild Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(N(C)C)cc1 ZINC000587647304 EH Annotated Bother CC(C)(C)OC(=O)Nc1c(CCCC=O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647387 EH Annotated Mild Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2Cn2cncn2)cc1 ZINC000587647435 EH Annotated Bother CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647672 EH Annotated Bother N#Cc1c(-c2ccc(-n3cccn3)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647753 EH Annotated Mild CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647838 EH Annotated Bother CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647916 EH Annotated Bother COc1ccc(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c([N+](=O)[O-])c1 ZINC000587647998 EH Annotated Bother O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000587648008 EH Annotated Bother Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2Cn2cncn2)cc1 ZINC000587648036 EH Annotated Bother N#Cc1c(-c2ccc(-n3cccn3)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648042 EH Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]1c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N ZINC000587648231 EH Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H]1c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N ZINC000587648236 EH Annotated Mild O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c12 ZINC000587648288 EH Annotated Bother CS(=O)(=O)c1ccc2[nH]c(CCCCl)c(CCCl)c2c1 ZINC000587648658 EH Annotated Reactive CC(C)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)F ZINC000587648683 EH Annotated Anodyne O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587648765 EH Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(F)(F)F)c2c1 ZINC000587648828 EH Annotated Anodyne O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648846 EH Annotated Bother CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)F ZINC000587648916 EH Annotated Anodyne O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587649065 EH Annotated Bother Cc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCOCC1 ZINC000587649114 EH Annotated Bother CC(C)(C)C(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649171 EH Annotated Anodyne O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587649335 EH Annotated Bother Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(F)c(F)c1 ZINC000587649344 EH Annotated Anodyne O=C(c1cccnc1)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649411 EH Annotated Bother O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649435 EH Annotated Bother CCOC(=O)CCc1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649447 EH Annotated Bother Cc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1N1CCOCC1 ZINC000587649492 EH Annotated Bother CC(C)(C)OC(=O)N1CC[C@@H]1c1[nH]c2cccc([N+](=O)[O-])c2c1C#N ZINC000587649660 EH Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]1c1[nH]c2cccc([N+](=O)[O-])c2c1C#N ZINC000587649661 EH Annotated Mild O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649709 EH Annotated Bother CCCCc1c(-c2cn(C)nc2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649883 EH Annotated Anodyne CC(C)CC(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649986 EH Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Oc1ccc(F)c(F)c1 ZINC000587650193 EH Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccccc3)c2c1 ZINC000587650349 EH Annotated Anodyne Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Cl ZINC000587650634 EH Annotated Anodyne CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1cccc(N)c1 ZINC000587650873 EH Annotated Anodyne O=C(Nc1cccc(Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651098 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ncc(Cl)cc1Cl ZINC000587651100 EH Annotated Anodyne O=C(Nc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651103 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nnc(Cl)c2ccccc12 ZINC000587651177 EH Annotated Anodyne O=C(c1ccc(Cl)cc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587651250 EH Annotated Anodyne Cc1cc(C(F)(F)F)cc(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651330 EH Annotated Anodyne O=C(CSc1ccccc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587651350 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1c(F)c(F)cc(F)c1F ZINC000587651357 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000587651377 EH Annotated Bother Cc1ccc(F)c(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587651378 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000587651428 EH Annotated Bother O=c1c2cc(Cl)ccc2cnn1-c1nc(C(F)(F)F)cs1 ZINC000587651443 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc(Cl)cc2o1 ZINC000587651511 EH Annotated Anodyne O=C(c1c(F)cccc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651556 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc(C(F)F)cc(C2CC2)n1 ZINC000587651658 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1c(F)c(F)c(F)c(F)c1F ZINC000587651666 EH Annotated Anodyne CC(C)(C(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 ZINC000587651721 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2c(F)cccc2s1 ZINC000587651840 EH Annotated Anodyne O=C(Cc1cccc(Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651846 EH Annotated Anodyne CC[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 ZINC000587651899 EH Annotated Anodyne CC[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 ZINC000587651900 EH Annotated Anodyne Cc1cc(C(F)(F)F)cnc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587651902 EH Annotated Anodyne Cc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)oc2ccccc12 ZINC000587651975 EH Annotated Anodyne CCCOc1ccccc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651986 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1c(F)cc(F)cc1Cl ZINC000587651996 EH Annotated Anodyne CC(C)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587652075 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587652080 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc(F)cc2s1 ZINC000587652083 EH Annotated Anodyne O=C(n1ncc2ccc(Cl)cc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000587652085 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccccc1OC(F)(F)F ZINC000587652093 EH Annotated Anodyne CC(C)c1c(Cl)ncnc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587652155 EH Annotated Anodyne CCCn1c(-n2ncc3ccc(Cl)cc3c2=O)nc2ccccc21 ZINC000587652447 EH Annotated Anodyne CC(C)=C[C@@H]1[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1(C)C ZINC000587652500 EH Annotated Anodyne CC(C)=C[C@H]1[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1(C)C ZINC000587652502 EH Annotated Anodyne CC(C)=C[C@@H]1[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1(C)C ZINC000587652503 EH Annotated Anodyne CC(C)=C[C@H]1[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1(C)C ZINC000587652504 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2c(F)cc(F)cc2s1 ZINC000587652512 EH Annotated Anodyne O=C(c1ccc2ccccc2c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652585 EH Annotated Anodyne Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2n1 ZINC000587652622 EH Annotated Anodyne CC(C)Oc1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587652680 EH Annotated Anodyne Cc1ccc(-c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nn2)cc1 ZINC000587652924 EH Annotated Anodyne Cc1csc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1Cl ZINC000587653019 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2cccs2)nn1 ZINC000587653041 EH Annotated Anodyne [N-]=[N+]=Nc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587653106 EH Annotated Mild O=c1c2cc(Cl)ccc2cnn1-c1ncnc2c1oc1ccccc12 ZINC000587653215 EH Annotated Anodyne O=C(c1ccc(-n2cccc2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653221 EH Annotated Anodyne Cc1sc2ncnc(-n3ncc4ccc(Cl)cc4c3=O)c2c1C ZINC000587653324 EH Annotated Anodyne CCc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)csc1C ZINC000587653425 EH Annotated Anodyne Cc1ccc(C)c(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587653445 EH Annotated Anodyne Cc1cccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1C ZINC000587653461 EH Annotated Anodyne CCc1cc2c(-n3ncc4ccc(Cl)cc4c3=O)ncnc2s1 ZINC000587653517 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2cccs2)n1 ZINC000587653581 EH Annotated Anodyne Cc1cccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 ZINC000587653590 EH Annotated Anodyne O=C(c1ccccc1-n1cccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653618 EH Annotated Anodyne O=C(CSCc1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653699 EH Annotated Anodyne C[C@@H]1CCC[C@H](NC(=S)n2ncc3ccc(Cl)cc3c2=O)[C@@H]1C ZINC000587653703 EH Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587653705 EH Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=S)n2ncc3ccc(Cl)cc3c2=O)[C@@H]1C ZINC000587653706 EH Annotated Anodyne C[C@@H]1[C@@H](NC(=S)n2ncc3ccc(Cl)cc3c2=O)CCC[C@H]1C ZINC000587653707 EH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nnc(-c2ccccc2)s1 ZINC000587653746 EH Annotated Anodyne CC(C)c1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cs1 ZINC000587653777 EH Annotated Anodyne O=C(CCCc1cccs1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653805 EH Annotated Anodyne O=C(c1cc2c(s1)CCCC2)n1ncc2ccc(Cl)cc2c1=O ZINC000587653822 EH Annotated Anodyne Cc1ccc2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 ZINC000587654311 EH Annotated Anodyne CCc1ccccc1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654518 EH Annotated Anodyne Cc1ccccc1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654538 EH Annotated Anodyne CCCc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cs1 ZINC000587654566 EH Annotated Anodyne O=C(c1csc2c1CCCC2)n1ncc2ccc(Cl)cc2c1=O ZINC000587654642 EH Annotated Anodyne CCc1sc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C ZINC000587654780 EH Annotated Anodyne Cc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1C ZINC000587654855 EH Annotated Anodyne Cc1ccc(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587654902 EH Annotated Anodyne Cc1cccc(C)c1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654994 EH Annotated Anodyne Cc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587655260 EH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CC(F)(F)F ZINC000587655467 EH Annotated Anodyne O=C(CC1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655824 EH Annotated Anodyne CC(C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656002 EH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccncc1 ZINC000587656302 EH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccnc1 ZINC000587656972 EH Annotated Anodyne CCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657150 EH Annotated Anodyne C[C@H]1C[C@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657186 EH Annotated Anodyne C[C@H]1C[C@@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657286 EH Annotated Anodyne C[C@@H]1C[C@@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657287 EH Annotated Anodyne C[C@@H]1C[C@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657290 EH Annotated Anodyne O=C(C1CCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657335 EH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccn1 ZINC000587657426 EH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(F)c1 ZINC000587658080 EH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(F)cn1 ZINC000587658293 EH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(F)n1 ZINC000587658619 EH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncccc1F ZINC000587658643 EH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cccc(O)c1 ZINC000587659880 EH Annotated Anodyne Cc1occc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659915 EH Annotated Anodyne COc1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587659953 EH Annotated Anodyne Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)o1 ZINC000587660230 EH Annotated Anodyne COc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 ZINC000587660632 EH Annotated Anodyne C=C1CC(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587660779 EH Annotated Mild Cc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1 ZINC000587660952 EH Annotated Anodyne CC(C)(C)OC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661366 EH Annotated Anodyne Cc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 ZINC000587661367 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CC2)N1 ZINC000587685684 EH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CC2)N1 ZINC000587685687 EH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CC2)N1 ZINC000587685689 EH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CC2)N1 ZINC000587685692 EH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CC2)N1 ZINC000587687233 EH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CC2)N1 ZINC000587687235 EH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CC2)N1 ZINC000587687237 EH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CC2)N1 ZINC000587687238 EH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C(CCl)(CCl)N1 ZINC000587688701 EH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2C(CCl)(CCl)N1 ZINC000587688702 EH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C(CCl)(CCl)N1 ZINC000587688791 EH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C(CCl)(CCl)N1 ZINC000587688792 EH Annotated Reactive CC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689102 EH Annotated Reactive CC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689103 EH Annotated Reactive CC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689104 EH Annotated Reactive CC(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689105 EH Annotated Reactive CC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689730 EH Annotated Reactive CC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689731 EH Annotated Reactive CC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689732 EH Annotated Reactive CC(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689733 EH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)F)N1 ZINC000587703786 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)F)N1 ZINC000587703795 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)F)N1 ZINC000587703797 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)F)N1 ZINC000587703799 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)F)N1 ZINC000587703890 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)F)N1 ZINC000587703892 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)F)N1 ZINC000587703893 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)F)N1 ZINC000587703895 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2F)N1 ZINC000587725157 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2F)N1 ZINC000587725160 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2F)N1 ZINC000587725161 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2F)N1 ZINC000587725162 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccn2)N1 ZINC000587727513 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccn2)N1 ZINC000587727515 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccn2)N1 ZINC000587727517 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccn2)N1 ZINC000587727518 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2F)N1 ZINC000587728121 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2F)N1 ZINC000587728123 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2F)N1 ZINC000587728176 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2F)N1 ZINC000587728178 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccoc2)N1 ZINC000587728214 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccoc2)N1 ZINC000587728240 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccoc2)N1 ZINC000587728245 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccoc2)N1 ZINC000587728250 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2F)N1 ZINC000587728697 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2F)N1 ZINC000587728698 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2F)N1 ZINC000587728699 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2F)N1 ZINC000587728700 EH Annotated Anodyne C[C@H]1C[C@@H]1[C@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728742 EH Annotated Mild C[C@H]1C[C@H]1[C@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728743 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)([C@@H]2C[C@H]2C)N1 ZINC000587728744 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)([C@H]2C[C@H]2C)N1 ZINC000587728745 EH Annotated Mild CC(C)[C@H](C#N)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728754 EH Annotated Mild CC(C)[C@@H](C#N)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728755 EH Annotated Mild CC(C)[C@H](C#N)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728756 EH Annotated Mild CC(C)[C@@H](C#N)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728757 EH Annotated Mild CC(C)[C@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729386 EH Annotated Mild CC(C)[C@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729387 EH Annotated Mild CC(C)[C@@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729388 EH Annotated Mild CC(C)[C@@]1(CC#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729389 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](C)C#N)N1 ZINC000587729581 EH Annotated Mild C[C@H](C#N)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729583 EH Annotated Mild C[C@H](C#N)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729586 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](C)C#N)N1 ZINC000587729589 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cn2)N1 ZINC000587729924 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cn2)N1 ZINC000587729925 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cn2)N1 ZINC000587729926 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cn2)N1 ZINC000587729927 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccco2)N1 ZINC000587730522 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccco2)N1 ZINC000587730524 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccco2)N1 ZINC000587730525 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccco2)N1 ZINC000587730526 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(F)c2)N1 ZINC000587732443 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(F)c2)N1 ZINC000587732446 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(F)c2)N1 ZINC000587732448 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(F)c2)N1 ZINC000587732450 EH Annotated Anodyne C[C@H]1C[C@@H]1[C@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732664 EH Annotated Mild C[C@H]1C[C@H]1[C@]1(CC#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732665 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)([C@@H]2C[C@H]2C)N1 ZINC000587732666 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)([C@H]2C[C@H]2C)N1 ZINC000587732667 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccoc2)N1 ZINC000587732686 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccoc2)N1 ZINC000587732687 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccoc2)N1 ZINC000587732688 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccoc2)N1 ZINC000587732689 EH Annotated Mild CC[C@H](C#N)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732747 EH Annotated Mild CC[C@H](C#N)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732748 EH Annotated Mild CC[C@H](C#N)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732750 EH Annotated Mild CC[C@H](C#N)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732752 EH Annotated Mild CC[C@H](C#N)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733105 EH Annotated Mild CC[C@H](C#N)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733106 EH Annotated Mild CC[C@H](C#N)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733107 EH Annotated Mild CC[C@H](C#N)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587733108 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccn2)N1 ZINC000587733444 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccn2)N1 ZINC000587733445 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccn2)N1 ZINC000587733610 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccn2)N1 ZINC000587733611 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](C)C#N)N1 ZINC000587734304 EH Annotated Mild C[C@H](C#N)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734305 EH Annotated Mild C[C@H](C#N)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734306 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](C)C#N)N1 ZINC000587734307 EH Annotated Mild CC[C@]1([C@@H](C)C#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734990 EH Annotated Mild CC[C@]1([C@@H](C)C#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734991 EH Annotated Mild CC[C@]1([C@H](C)C#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734993 EH Annotated Mild CC[C@]1([C@H](C)C#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734994 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cn2)N1 ZINC000587735305 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cn2)N1 ZINC000587735307 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cn2)N1 ZINC000587735308 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cn2)N1 ZINC000587735310 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(F)c2)N1 ZINC000587735377 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(F)c2)N1 ZINC000587735379 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(F)c2)N1 ZINC000587735381 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(F)c2)N1 ZINC000587735383 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccccc2)N1 ZINC000587735639 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccccc2)N1 ZINC000587735640 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccccc2)N1 ZINC000587735641 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccccc2)N1 ZINC000587735642 EH Annotated Mild CC[C@]1([C@@H](C)C#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736003 EH Annotated Mild CC[C@]1([C@@H](C)C#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736004 EH Annotated Mild CC[C@]1([C@H](C)C#N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736005 EH Annotated Mild CC[C@]1([C@H](C)C#N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736006 EH Annotated Mild CC(C)[C@@H](C#N)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736231 EH Annotated Mild CC(C)[C@@H](C#N)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736232 EH Annotated Mild CC(C)[C@H](C#N)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736233 EH Annotated Mild CC(C)[C@H](C#N)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736234 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccco2)N1 ZINC000587736239 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccco2)N1 ZINC000587736240 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccco2)N1 ZINC000587736241 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccco2)N1 ZINC000587736242 EH Annotated Mild CC(C)[C@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736267 EH Annotated Mild CC(C)[C@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736268 EH Annotated Mild CC(C)[C@@]1(CC#N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736269 EH Annotated Mild CC(C)[C@@]1(CC#N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736270 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccccc2)N1 ZINC000587736279 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccccc2)N1 ZINC000587736280 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccccc2)N1 ZINC000587736281 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccccc2)N1 ZINC000587736282 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2F)N1 ZINC000587737183 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2F)N1 ZINC000587737185 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2F)N1 ZINC000587737186 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2F)N1 ZINC000587737187 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2F)N1 ZINC000587737188 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2F)N1 ZINC000587737189 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2F)N1 ZINC000587737190 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2F)N1 ZINC000587737191 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(F)c2)N1 ZINC000587737720 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(F)c2)N1 ZINC000587737721 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(F)c2)N1 ZINC000587737722 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(F)c2)N1 ZINC000587737723 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2F)N1 ZINC000587737828 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2F)N1 ZINC000587737829 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2F)N1 ZINC000587737830 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2F)N1 ZINC000587737831 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)n2)N1 ZINC000587738292 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)n2)N1 ZINC000587738293 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)n2)N1 ZINC000587738294 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)n2)N1 ZINC000587738295 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)n2)N1 ZINC000587738501 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)n2)N1 ZINC000587738502 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)n2)N1 ZINC000587738503 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)n2)N1 ZINC000587738504 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(F)c2)N1 ZINC000587738844 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(F)c2)N1 ZINC000587738845 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(F)c2)N1 ZINC000587738847 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(F)c2)N1 ZINC000587738848 EH Annotated Anodyne CCN(CC)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739140 EH Annotated Anodyne CCN(CC)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739141 EH Annotated Anodyne CCN(CC)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739142 EH Annotated Anodyne CCN(CC)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739143 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)nc2)N1 ZINC000587739244 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)nc2)N1 ZINC000587739245 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)nc2)N1 ZINC000587739246 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)nc2)N1 ZINC000587739247 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCN(C)C)N1 ZINC000587739478 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCN(C)C)N1 ZINC000587739479 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCN(C)C)N1 ZINC000587739480 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCN(C)C)N1 ZINC000587739481 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN(C)C)N1 ZINC000587739897 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN(C)C)N1 ZINC000587739898 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN(C)C)N1 ZINC000587739899 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN(C)C)N1 ZINC000587739900 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2N)N1 ZINC000587740475 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2N)N1 ZINC000587740476 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2N)N1 ZINC000587740577 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2N)N1 ZINC000587740578 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)nc2)N1 ZINC000587740985 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)nc2)N1 ZINC000587740986 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)nc2)N1 ZINC000587740987 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)nc2)N1 ZINC000587740988 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)o2)N1 ZINC000587741120 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)o2)N1 ZINC000587741133 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)o2)N1 ZINC000587741134 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)o2)N1 ZINC000587741135 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)o2)N1 ZINC000587741157 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)o2)N1 ZINC000587741170 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)o2)N1 ZINC000587741171 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)o2)N1 ZINC000587741172 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN(C)C)N1 ZINC000587741229 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN(C)C)N1 ZINC000587741231 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN(C)C)N1 ZINC000587741232 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN(C)C)N1 ZINC000587741233 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)o2)N1 ZINC000587741256 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)o2)N1 ZINC000587741257 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)o2)N1 ZINC000587741258 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)o2)N1 ZINC000587741259 EH Annotated Mild CCN(CC)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741366 EH Annotated Anodyne CCN(CC)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741368 EH Annotated Anodyne CCN(CC)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741370 EH Annotated Anodyne CCN(CC)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741372 EH Annotated Anodyne C/C(=C\N(C)C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741519 EH Annotated Anodyne C/C(=C\N(C)C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741520 EH Annotated Anodyne C/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741522 EH Annotated Anodyne C/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741524 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)o2)N1 ZINC000587742395 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)o2)N1 ZINC000587742397 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)o2)N1 ZINC000587742399 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)o2)N1 ZINC000587742400 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCN(C)C)N1 ZINC000587743389 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCN(C)C)N1 ZINC000587743391 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCN(C)C)N1 ZINC000587743393 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCN(C)C)N1 ZINC000587743396 EH Annotated Anodyne C/C(=C\N(C)C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744198 EH Annotated Anodyne C/C(=C\N(C)C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744200 EH Annotated Anodyne C/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744201 EH Annotated Anodyne C/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744203 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2N)N1 ZINC000587746838 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2N)N1 ZINC000587746840 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2N)N1 ZINC000587746842 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2N)N1 ZINC000587746844 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)cc2)N1 ZINC000587747060 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)cc2)N1 ZINC000587747061 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)cc2)N1 ZINC000587747062 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)cc2)N1 ZINC000587747063 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N)c2)N1 ZINC000587747293 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N)c2)N1 ZINC000587747295 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N)c2)N1 ZINC000587747297 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N)c2)N1 ZINC000587747299 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)cc2)N1 ZINC000587748030 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)cc2)N1 ZINC000587748031 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)cc2)N1 ZINC000587748033 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)cc2)N1 ZINC000587748035 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N)N1 ZINC000587748130 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N)N1 ZINC000587748131 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N)N1 ZINC000587748132 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N)N1 ZINC000587748133 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N)c2)N1 ZINC000587748164 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N)c2)N1 ZINC000587748165 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N)c2)N1 ZINC000587748166 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N)c2)N1 ZINC000587748167 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N)N1 ZINC000587749389 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N)N1 ZINC000587749390 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N)N1 ZINC000587749391 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N)N1 ZINC000587749392 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccn2C)N1 ZINC000587752123 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccn2C)N1 ZINC000587752124 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccn2C)N1 ZINC000587752125 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccn2C)N1 ZINC000587752126 EH Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587752993 EH Annotated Anodyne Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587752996 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587752997 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587752998 EH Annotated Anodyne C#CCn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753849 EH Annotated Mild C#CCn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753850 EH Annotated Mild C#CCn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753851 EH Annotated Mild C#CCn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753852 EH Annotated Mild C#CCn1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754685 EH Annotated Mild C#CCn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754686 EH Annotated Mild C#CCn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754688 EH Annotated Mild C#CCn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754689 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccn2C)N1 ZINC000587754977 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccn2C)N1 ZINC000587754978 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccn2C)N1 ZINC000587754979 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccn2C)N1 ZINC000587754980 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587755372 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587755374 EH Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587755376 EH Annotated Anodyne Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587755377 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccn(C)c2)N1 ZINC000587755771 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(C)c2)N1 ZINC000587755772 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccn(C)c2)N1 ZINC000587755774 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(C)c2)N1 ZINC000587755775 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(C)c2)N1 ZINC000587758770 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(C)c2)N1 ZINC000587758773 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(C)c2)N1 ZINC000587758776 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(C)c2)N1 ZINC000587758779 EH Annotated Anodyne C=Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587759370 EH Annotated Anodyne C=Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587759371 EH Annotated Anodyne C=Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587759372 EH Annotated Anodyne C=Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587759373 EH Annotated Anodyne C=Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762376 EH Annotated Anodyne C=Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762377 EH Annotated Anodyne C=Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762378 EH Annotated Anodyne C=Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587762379 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(C)CC2)N1 ZINC000587766170 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(C)CC2)N1 ZINC000587766183 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(C)CC2)N1 ZINC000587766185 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(C)CC2)N1 ZINC000587766187 EH Annotated Anodyne Cc1cccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767353 EH Annotated Anodyne Cc1cccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767427 EH Annotated Anodyne Cc1cccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767430 EH Annotated Anodyne Cc1cccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767431 EH Annotated Anodyne Cc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767835 EH Annotated Anodyne Cc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767836 EH Annotated Anodyne Cc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767837 EH Annotated Anodyne Cc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587767839 EH Annotated Anodyne Cc1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767850 EH Annotated Anodyne Cc1ncccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767852 EH Annotated Anodyne Cc1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767853 EH Annotated Anodyne Cc1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767856 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3cccc32)N1 ZINC000587768957 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3cccc32)N1 ZINC000587768958 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3cccc32)N1 ZINC000587768959 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3cccc32)N1 ZINC000587768960 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccccn2)N1 ZINC000587769419 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccn2)N1 ZINC000587769424 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccn2)N1 ZINC000587769427 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccccn2)N1 ZINC000587769428 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCn3cccc32)N1 ZINC000587769881 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCn3cccc32)N1 ZINC000587769889 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCn3cccc32)N1 ZINC000587769893 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCn3cccc32)N1 ZINC000587769896 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587769973 EH Annotated Anodyne Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587769976 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587769979 EH Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587769982 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(C)CC2)N1 ZINC000587770213 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(C)CC2)N1 ZINC000587770214 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(C)CC2)N1 ZINC000587770215 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(C)CC2)N1 ZINC000587770216 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccn2)N1 ZINC000587770289 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccn2)N1 ZINC000587770290 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccn2)N1 ZINC000587770291 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccn2)N1 ZINC000587770293 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770357 EH Annotated Anodyne Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770358 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770360 EH Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770361 EH Annotated Anodyne Cc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770400 EH Annotated Anodyne Cc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770402 EH Annotated Anodyne Cc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770403 EH Annotated Anodyne Cc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770405 EH Annotated Anodyne Cc1cnccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770530 EH Annotated Anodyne Cc1cnccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770531 EH Annotated Anodyne Cc1cnccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770534 EH Annotated Anodyne Cc1cnccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770536 EH Annotated Anodyne C#Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587770886 EH Annotated Mild C#Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587770887 EH Annotated Mild C#Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587770888 EH Annotated Mild C#Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587770889 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2)N1 ZINC000587771721 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2)N1 ZINC000587771723 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2)N1 ZINC000587771725 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2)N1 ZINC000587771726 EH Annotated Anodyne Cc1coc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587772129 EH Annotated Anodyne Cc1coc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587772130 EH Annotated Anodyne Cc1coc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587772131 EH Annotated Anodyne Cc1coc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587772132 EH Annotated Anodyne Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587772237 EH Annotated Anodyne Cc1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587772244 EH Annotated Anodyne Cc1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587772246 EH Annotated Anodyne Cc1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587772248 EH Annotated Anodyne Cc1cccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772628 EH Annotated Anodyne Cc1cccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772631 EH Annotated Anodyne Cc1cccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772633 EH Annotated Anodyne Cc1cccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772635 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2)N1 ZINC000587772701 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2)N1 ZINC000587772702 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2)N1 ZINC000587772703 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2)N1 ZINC000587772704 EH Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587772881 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587772882 EH Annotated Anodyne Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587772884 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587772885 EH Annotated Anodyne Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587772893 EH Annotated Anodyne Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587772894 EH Annotated Anodyne Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587772896 EH Annotated Anodyne Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587772897 EH Annotated Anodyne Cc1cnccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773127 EH Annotated Anodyne Cc1cnccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773129 EH Annotated Anodyne Cc1cnccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773130 EH Annotated Anodyne Cc1cnccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773131 EH Annotated Anodyne Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773317 EH Annotated Anodyne Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773318 EH Annotated Anodyne Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773319 EH Annotated Anodyne Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773321 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCn3cccc32)N1 ZINC000587773369 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCn3cccc32)N1 ZINC000587773375 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCn3cccc32)N1 ZINC000587773376 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCn3cccc32)N1 ZINC000587773377 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3cccc32)N1 ZINC000587773916 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3cccc32)N1 ZINC000587773917 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3cccc32)N1 ZINC000587773918 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3cccc32)N1 ZINC000587773919 EH Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587774052 EH Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587774053 EH Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587774055 EH Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587774057 EH Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587774089 EH Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587774090 EH Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587774092 EH Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587774094 EH Annotated Anodyne Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587774110 EH Annotated Anodyne Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587774111 EH Annotated Anodyne Cc1nc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587774113 EH Annotated Anodyne Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587774115 EH Annotated Anodyne Cc1ncccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774188 EH Annotated Anodyne Cc1ncccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774189 EH Annotated Anodyne Cc1ncccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774190 EH Annotated Anodyne Cc1ncccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774191 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccn2)N1 ZINC000587774192 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccn2)N1 ZINC000587774193 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccn2)N1 ZINC000587774194 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccn2)N1 ZINC000587774195 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccn2)N1 ZINC000587774276 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccn2)N1 ZINC000587774277 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccn2)N1 ZINC000587774278 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccn2)N1 ZINC000587774279 EH Annotated Anodyne Cc1coc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774284 EH Annotated Anodyne Cc1coc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774285 EH Annotated Anodyne Cc1coc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774286 EH Annotated Anodyne Cc1coc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774287 EH Annotated Anodyne C#Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587774565 EH Annotated Mild C#Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587774567 EH Annotated Mild C#Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587774568 EH Annotated Mild C#Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587774569 EH Annotated Mild Cc1coc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587774921 EH Annotated Anodyne Cc1coc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587774922 EH Annotated Anodyne Cc1coc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587774923 EH Annotated Anodyne Cc1coc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587774924 EH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587775009 EH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587775010 EH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587775011 EH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587775012 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587775033 EH Annotated Anodyne Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587775034 EH Annotated Anodyne Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587775035 EH Annotated Anodyne Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587775036 EH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587775057 EH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587775058 EH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587775059 EH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587775060 EH Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587775483 EH Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587775485 EH Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587775486 EH Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587775488 EH Annotated Anodyne Cc1cncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775814 EH Annotated Anodyne Cc1cncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775817 EH Annotated Anodyne Cc1cncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775818 EH Annotated Anodyne Cc1cncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775821 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccnc2)N1 ZINC000587775842 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccnc2)N1 ZINC000587775845 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccnc2)N1 ZINC000587775847 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccnc2)N1 ZINC000587775850 EH Annotated Anodyne Cc1ccncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776041 EH Annotated Anodyne Cc1ccncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776042 EH Annotated Anodyne Cc1ccncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776043 EH Annotated Anodyne Cc1ccncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776044 EH Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587776073 EH Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587776074 EH Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587776075 EH Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 ZINC000587776076 EH Annotated Anodyne Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587776312 EH Annotated Anodyne Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587776313 EH Annotated Anodyne Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587776314 EH Annotated Anodyne Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 ZINC000587776315 EH Annotated Anodyne Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587776372 EH Annotated Anodyne Cc1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587776373 EH Annotated Anodyne Cc1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587776374 EH Annotated Anodyne Cc1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587776375 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccncc2)N1 ZINC000587776448 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccncc2)N1 ZINC000587776449 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccncc2)N1 ZINC000587776450 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccncc2)N1 ZINC000587776451 EH Annotated Anodyne Cc1cncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776607 EH Annotated Anodyne Cc1cncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776608 EH Annotated Anodyne Cc1cncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776609 EH Annotated Anodyne Cc1cncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776610 EH Annotated Anodyne Cc1ccncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776640 EH Annotated Anodyne Cc1ccncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776642 EH Annotated Anodyne Cc1ccncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776643 EH Annotated Anodyne Cc1ccncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776645 EH Annotated Anodyne Cc1coc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587776981 EH Annotated Anodyne Cc1coc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587776982 EH Annotated Anodyne Cc1coc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587776983 EH Annotated Anodyne Cc1coc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587776984 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cccc(C(=O)OC)c3[nH]2)c1 ZINC000587777732 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2)N1 ZINC000587777768 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2)N1 ZINC000587777770 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2)N1 ZINC000587777772 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2)N1 ZINC000587777773 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000587777785 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000587777846 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ncccc32)N1 ZINC000587777961 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ncccc32)N1 ZINC000587777962 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ncccc32)N1 ZINC000587777963 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ncccc32)N1 ZINC000587777964 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cccc(C(=O)O)c3[nH]2)c1 ZINC000587778014 EH Annotated Anodyne CCCOc1cccc(Cc2nc3cc(OC)cc(OC)c3[nH]2)c1 ZINC000587778034 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc(CCO)cc3[nH]2)c1 ZINC000587778055 EH Annotated Anodyne CCOc1cc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)ccc1C ZINC000587778097 EH Annotated Anodyne CCCOc1cccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000587778105 EH Annotated Bother CCOCCOCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587778294 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587778311 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cnccc32)N1 ZINC000587778392 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cnccc32)N1 ZINC000587778393 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cnccc32)N1 ZINC000587778394 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cnccc32)N1 ZINC000587778395 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ncccc32)N1 ZINC000587778625 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ncccc32)N1 ZINC000587778626 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ncccc32)N1 ZINC000587778627 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ncccc32)N1 ZINC000587778628 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587778750 EH Annotated Bother CCCOc1cccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587778824 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000587778827 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000587778834 EH Annotated Anodyne CCOCCOCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587778859 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccnc2)N1 ZINC000587778918 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccnc2)N1 ZINC000587778919 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccnc2)N1 ZINC000587778920 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccnc2)N1 ZINC000587778922 EH Annotated Anodyne CCCOc1cccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587779024 EH Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000587779116 EH Annotated Mild CCOc1cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1C ZINC000587779208 EH Annotated Anodyne CCOCCOCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587779222 EH Annotated Anodyne CCOCCOCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587779292 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccncc2)N1 ZINC000587779566 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccncc2)N1 ZINC000587779568 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccncc2)N1 ZINC000587779569 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccncc2)N1 ZINC000587779570 EH Annotated Anodyne CCOc1ccccc1OCc1nc2ccnc(Br)c2[nH]1 ZINC000587779580 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccnc32)N1 ZINC000587779651 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccnc32)N1 ZINC000587779652 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccnc32)N1 ZINC000587779653 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccnc32)N1 ZINC000587779655 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Br)cnc2[nH]1 ZINC000587779676 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587779732 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2)N1 ZINC000587779807 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2)N1 ZINC000587779808 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2)N1 ZINC000587779809 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2)N1 ZINC000587779810 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587779856 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587779877 EH Annotated Bother CCOc1ccccc1OCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587779898 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccnc32)N1 ZINC000587780027 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccnc32)N1 ZINC000587780028 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccnc32)N1 ZINC000587780029 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccnc32)N1 ZINC000587780030 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cnccc32)N1 ZINC000587780050 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cnccc32)N1 ZINC000587780051 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cnccc32)N1 ZINC000587780053 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cnccc32)N1 ZINC000587780054 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587780125 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Br)ncc2[nH]1 ZINC000587780189 EH Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(Br)nc2[nH]1 ZINC000587780222 EH Annotated Anodyne CCOc1ccccc1OCc1nc2c(Br)ccnc2[nH]1 ZINC000587780323 EH Annotated Anodyne Brc1ccc2nc(COC/C=C\c3ccccc3)[nH]c2n1 ZINC000587780429 EH Annotated Anodyne Brc1ccc2nc(COC/C=C/c3ccccc3)[nH]c2n1 ZINC000587780439 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(COC/C=C\c3ccccc3)[nH]c12 ZINC000587780587 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(COC/C=C/c3ccccc3)[nH]c12 ZINC000587780588 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587780625 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cncc(Br)c2[nH]1 ZINC000587780706 EH Annotated Anodyne CCOc1ccccc1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587780776 EH Annotated Bother O=C1CCc2cc3nc(COC/C=C\c4ccccc4)[nH]c3cc2N1 ZINC000587780828 EH Annotated Anodyne O=C1CCc2cc3nc(COC/C=C/c4ccccc4)[nH]c3cc2N1 ZINC000587780829 EH Annotated Anodyne Brc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cn1 ZINC000587781013 EH Annotated Anodyne Brc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cn1 ZINC000587781014 EH Annotated Anodyne FC(F)(F)c1ncc2nc(COC/C=C\c3ccccc3)nc-2[nH]1 ZINC000587781016 EH Annotated Anodyne FC(F)(F)c1ncc2nc(COC/C=C/c3ccccc3)nc-2[nH]1 ZINC000587781020 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1F ZINC000587781143 EH Annotated Bother O=[N+]([O-])c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1F ZINC000587781144 EH Annotated Bother O=C(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)OCc1ccccc1 ZINC000587781277 EH Annotated Anodyne Brc1cnc2[nH]c(COC/C=C\c3ccccc3)nc2c1 ZINC000587781295 EH Annotated Anodyne Brc1cnc2[nH]c(COC/C=C/c3ccccc3)nc2c1 ZINC000587781296 EH Annotated Anodyne Brc1cncc2nc(COC/C=C\c3ccccc3)[nH]c12 ZINC000587781315 EH Annotated Anodyne Brc1cncc2nc(COC/C=C/c3ccccc3)[nH]c12 ZINC000587781316 EH Annotated Anodyne Brc1ccnc2[nH]c(COC/C=C\c3ccccc3)nc12 ZINC000587781326 EH Annotated Anodyne Brc1ccnc2[nH]c(COC/C=C/c3ccccc3)nc12 ZINC000587781327 EH Annotated Anodyne C(=C/c1ccccc1)\COCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587781358 EH Annotated Anodyne C(=C\c1ccccc1)\COCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587781359 EH Annotated Anodyne COc1cncc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 ZINC000587781570 EH Annotated Anodyne Brc1nccc2nc(COC/C=C\c3ccccc3)[nH]c12 ZINC000587781953 EH Annotated Anodyne Brc1nccc2nc(COC/C=C/c3ccccc3)[nH]c12 ZINC000587781954 EH Annotated Anodyne Cc1ccc2c(ccc3nc(CC(=O)OCc4ccccc4)[nH]c32)n1 ZINC000587782203 EH Annotated Anodyne COc1nccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 ZINC000587782210 EH Annotated Anodyne O=C(Cc1nc2cccc(C(F)(F)F)c2[nH]1)OCc1ccccc1 ZINC000587782344 EH Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4nccc(N)c4[nH]3)cc2)c1 ZINC000587782442 EH Annotated Anodyne COc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1Cl ZINC000587782634 EH Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2ccnc(O)c2[nH]1 ZINC000587782883 EH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587782938 EH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587782941 EH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587783011 EH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587783193 EH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587783274 EH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587783283 EH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587783291 EH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587783294 EH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cccc(Br)c2[nH]1 ZINC000587783430 EH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587783482 EH Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587783634 EH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587783651 EH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587783724 EH Annotated Anodyne Oc1nncc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783925 EH Annotated Anodyne Oc1nncc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783926 EH Annotated Anodyne COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(OC)c1O ZINC000587783986 EH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587784051 EH Annotated Clean Fc1c(Br)cc2nc(CCOCC3CC3)[nH]c2c1F ZINC000587784108 EH Annotated Anodyne Oc1ncnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587784138 EH Annotated Anodyne Oc1ncnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587784139 EH Annotated Anodyne Clc1cc(Br)cc2nc(CCOCC3CC3)[nH]c12 ZINC000587784166 EH Annotated Anodyne Nc1ncnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587784299 EH Annotated Anodyne Nc1ncnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587784300 EH Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 ZINC000587784424 EH Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 ZINC000587784425 EH Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 ZINC000587784426 EH Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 ZINC000587784427 EH Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 ZINC000587784529 EH Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 ZINC000587784530 EH Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 ZINC000587784532 EH Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 ZINC000587784533 EH Annotated Anodyne COc1cc(/C=C\c2nc3cc(Cl)c(F)cc3[nH]2)cc(O)c1O ZINC000587784727 EH Annotated Clean COc1cc(/C=C/c2nc3cc(Cl)c(F)cc3[nH]2)cc(O)c1O ZINC000587784732 EH Annotated Clean COc1cc(/C=C\c2nc3ccc(OC(C)C)cc3[nH]2)cc(O)c1O ZINC000587784763 EH Annotated Clean COc1cc(/C=C/c2nc3ccc(OC(C)C)cc3[nH]2)cc(O)c1O ZINC000587784765 EH Annotated Clean COc1cc(/C=C\c2nc3cc(F)c(F)c(F)c3[nH]2)cc(O)c1O ZINC000587784871 EH Annotated Clean COc1cc(/C=C/c2nc3cc(F)c(F)c(F)c3[nH]2)cc(O)c1O ZINC000587784872 EH Annotated Clean Clc1cc(Br)c2[nH]c(CCOCC3CC3)nc2c1 ZINC000587785012 EH Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CCOCC3CC3)[nH]c2cn1 ZINC000587785042 EH Annotated Anodyne COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc(OC)c1O ZINC000587785142 EH Annotated Anodyne COc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(OC)c1O ZINC000587785236 EH Annotated Anodyne COc1cc(/C=C\c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(O)c1O ZINC000587785269 EH Annotated Mild COc1cc(/C=C/c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(O)c1O ZINC000587785270 EH Annotated Mild COc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(OC)c1O ZINC000587785327 EH Annotated Anodyne COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(OC)c1O ZINC000587785548 EH Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)cc1O ZINC000587785554 EH Annotated Anodyne COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1F ZINC000587785653 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587785772 EH Annotated Anodyne COc1cc(-c2nc3cccc(Br)c3[nH]2)cc(OC)c1O ZINC000587785786 EH Annotated Anodyne COc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(OC)c1O ZINC000587785826 EH Annotated Anodyne COc1cc(/C=C\c2nc3cc(Cl)cc(F)c3[nH]2)cc(O)c1O ZINC000587785850 EH Annotated Clean COc1cc(/C=C/c2nc3cc(Cl)cc(F)c3[nH]2)cc(O)c1O ZINC000587785851 EH Annotated Clean COc1cc(/C=C/c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(O)c1O ZINC000587785889 EH Annotated Clean COc1cc(/C=C\c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(O)c1O ZINC000587785890 EH Annotated Clean COc1ccc(C=O)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587785918 EH Annotated Anodyne COc1cc(/C=C\c2nc3ccc4ncccc4c3[nH]2)cc(O)c1O ZINC000587785935 EH Annotated Clean COc1cc(/C=C/c2nc3ccc4ncccc4c3[nH]2)cc(O)c1O ZINC000587785937 EH Annotated Clean COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Cl ZINC000587786020 EH Annotated Clean COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Cl ZINC000587786024 EH Annotated Clean COc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(OC)c1C ZINC000587786037 EH Annotated Bother COc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(OC)c1C ZINC000587786054 EH Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(F)c(Cl)cc3[nH]2)c1OC ZINC000587786098 EH Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)cc1O ZINC000587786151 EH Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(OC)c1C ZINC000587786160 EH Annotated Anodyne COc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cc1OC ZINC000587786192 EH Annotated Anodyne COc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(OC)c1C ZINC000587786212 EH Annotated Bother COc1ccc(C=O)cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587786339 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587786382 EH Annotated Anodyne COc1cc(/C=C\c2nc3cnc4ccccc4c3[nH]2)cc(O)c1O ZINC000587786387 EH Annotated Clean COc1cc(/C=C/c2nc3cnc4ccccc4c3[nH]2)cc(O)c1O ZINC000587786388 EH Annotated Clean COc1ccc(C=O)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587786430 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)ncc2[nH]1 ZINC000587786597 EH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(F)cc(Cl)cc3[nH]2)c1OC ZINC000587786605 EH Annotated Anodyne COc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc(OC)c1O ZINC000587786750 EH Annotated Anodyne COc1cc(/C=C\c2nc3c(C)cnc(Cl)c3[nH]2)cc(O)c1O ZINC000587786894 EH Annotated Clean COc1cc(/C=C/c2nc3c(C)cnc(Cl)c3[nH]2)cc(O)c1O ZINC000587786901 EH Annotated Clean COc1ccc(-c2nc3c(Br)ccnc3[nH]2)c(OC)c1C ZINC000587786956 EH Annotated Anodyne COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(OC)c1O ZINC000587787124 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)ccnc2[nH]1 ZINC000587787137 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587787200 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587787250 EH Annotated Anodyne COc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1Cl ZINC000587787256 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587787295 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587787305 EH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587787326 EH Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 ZINC000587787415 EH Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 ZINC000587787416 EH Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 ZINC000587787417 EH Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 ZINC000587787418 EH Annotated Anodyne COc1cccc(C)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587787506 EH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Cl)cc(C#N)cc3[nH]2)c1OC ZINC000587787569 EH Annotated Mild COc1cccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1O ZINC000587787622 EH Annotated Mild COc1ccc(C)cc1C(=O)CCc1nc2ccnc(Cl)c2[nH]1 ZINC000587787623 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587787667 EH Annotated Bother COc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(OC)c1C ZINC000587787719 EH Annotated Anodyne COc1ccc(-c2nc3ccc(Br)nc3[nH]2)c(OC)c1C ZINC000587787788 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(Cl)nc2[nH]1 ZINC000587787871 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587787873 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587787886 EH Annotated Anodyne COc1cccc(C)c1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587787900 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587787927 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587787949 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587787951 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587787982 EH Annotated Mild COc1ccc(C=O)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587787990 EH Annotated Bother COc1ccc(C)cc1C(=O)CCc1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587788097 EH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cccc(Br)c2[nH]1 ZINC000587788125 EH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cncc(Cl)c2[nH]1 ZINC000587788175 EH Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(OC)c1C ZINC000587788219 EH Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc(OC)c(C)c3OC)nc2c1 ZINC000587788270 EH Annotated Anodyne COc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(OC)c1C ZINC000587788317 EH Annotated Anodyne COc1ccc(-c2nc3cncc(Br)c3[nH]2)c(OC)c1C ZINC000587788319 EH Annotated Anodyne COC[C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788834 EH Annotated Anodyne COC[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788846 EH Annotated Anodyne COC[C@@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788848 EH Annotated Anodyne COC[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788850 EH Annotated Anodyne COCC(C)(C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788901 EH Annotated Anodyne COCC(C)(C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788919 EH Annotated Anodyne COCC(C)(C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788920 EH Annotated Anodyne COCC(C)(C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788922 EH Annotated Anodyne COCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789520 EH Annotated Anodyne COCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789521 EH Annotated Anodyne COCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789522 EH Annotated Anodyne COCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789523 EH Annotated Anodyne Cc1noc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789685 EH Annotated Anodyne Cc1noc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789688 EH Annotated Anodyne Cc1noc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789691 EH Annotated Anodyne Cc1noc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789694 EH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c4c(ccc3[nH]2)CCCC4)c1OC ZINC000587789913 EH Annotated Anodyne COC(C)(C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789932 EH Annotated Anodyne COC(C)(C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789967 EH Annotated Anodyne COC(C)(C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789968 EH Annotated Anodyne COC(C)(C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789970 EH Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587790378 EH Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587790380 EH Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587790382 EH Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587790383 EH Annotated Anodyne CC(C)OC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791211 EH Annotated Anodyne CC(C)OC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791212 EH Annotated Anodyne CC(C)OC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791213 EH Annotated Anodyne CC(C)OC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791214 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c[nH]cc32)N1 ZINC000587791255 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c[nH]cc32)N1 ZINC000587791256 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c[nH]cc32)N1 ZINC000587791257 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c[nH]cc32)N1 ZINC000587791258 EH Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587791383 EH Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587791399 EH Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587791401 EH Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587791402 EH Annotated Anodyne COC[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791623 EH Annotated Anodyne COC[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791629 EH Annotated Anodyne COC[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791631 EH Annotated Anodyne COC[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791634 EH Annotated Anodyne CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587791715 EH Annotated Anodyne CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587791719 EH Annotated Anodyne CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587791721 EH Annotated Anodyne CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587791722 EH Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587791787 EH Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587791789 EH Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587791790 EH Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587791792 EH Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587791796 EH Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587791798 EH Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587791800 EH Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587791802 EH Annotated Anodyne COCC(C)(C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791829 EH Annotated Anodyne COCC(C)(C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791830 EH Annotated Anodyne COCC(C)(C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791832 EH Annotated Anodyne COCC(C)(C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791834 EH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587792481 EH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587792482 EH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587792483 EH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587792484 EH Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1OC ZINC000587792518 EH Annotated Mild COC[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792694 EH Annotated Anodyne COC[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792695 EH Annotated Anodyne COC[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792696 EH Annotated Anodyne COC[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792697 EH Annotated Anodyne COC(C)(C)C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792729 EH Annotated Anodyne COC(C)(C)C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792735 EH Annotated Anodyne COC(C)(C)C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792736 EH Annotated Anodyne COC(C)(C)C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792738 EH Annotated Anodyne COC[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792973 EH Annotated Anodyne COC[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792974 EH Annotated Anodyne COC[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792976 EH Annotated Anodyne COC[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792978 EH Annotated Anodyne Cc1oncc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793082 EH Annotated Anodyne Cc1oncc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793083 EH Annotated Anodyne Cc1oncc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793086 EH Annotated Anodyne Cc1oncc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793088 EH Annotated Anodyne Cc1noc(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793098 EH Annotated Anodyne Cc1noc(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793100 EH Annotated Anodyne Cc1noc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793102 EH Annotated Anodyne Cc1noc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793104 EH Annotated Anodyne Cc1[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C#N ZINC000587793217 EH Annotated Mild Cc1[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C#N ZINC000587793219 EH Annotated Mild Cc1[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C#N ZINC000587793220 EH Annotated Mild Cc1[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C#N ZINC000587793221 EH Annotated Mild CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587793845 EH Annotated Anodyne CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587793846 EH Annotated Anodyne CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587793847 EH Annotated Anodyne CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587793849 EH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587793879 EH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587793881 EH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587793883 EH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587793885 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c[nH]cc32)N1 ZINC000587794087 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c[nH]cc32)N1 ZINC000587794089 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c[nH]cc32)N1 ZINC000587794092 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c[nH]cc32)N1 ZINC000587794094 EH Annotated Anodyne COCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794101 EH Annotated Anodyne COCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794102 EH Annotated Anodyne COCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794104 EH Annotated Anodyne COCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794105 EH Annotated Anodyne COc1ccc(OC)c(-c2nc3c(C)cnc(Cl)c3[nH]2)c1OC ZINC000587794394 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc[nH]2)N1 ZINC000587794516 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc[nH]2)N1 ZINC000587794519 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc[nH]2)N1 ZINC000587794521 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc[nH]2)N1 ZINC000587794523 EH Annotated Mild Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587794577 EH Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587794579 EH Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587794582 EH Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 ZINC000587794584 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc[nH]2)N1 ZINC000587794900 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc[nH]2)N1 ZINC000587794901 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc[nH]2)N1 ZINC000587794902 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc[nH]2)N1 ZINC000587794903 EH Annotated Mild Cc1[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C#N ZINC000587794958 EH Annotated Mild Cc1[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C#N ZINC000587794959 EH Annotated Mild Cc1[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C#N ZINC000587794960 EH Annotated Mild Cc1[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C#N ZINC000587794961 EH Annotated Mild COC(C)(C)C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795096 EH Annotated Anodyne COC(C)(C)C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795097 EH Annotated Anodyne COC(C)(C)C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795100 EH Annotated Anodyne COC(C)(C)C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795103 EH Annotated Anodyne COC[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795171 EH Annotated Anodyne COC[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795172 EH Annotated Anodyne COC[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795175 EH Annotated Anodyne COC[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795177 EH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(ccc4nc(C)ccc43)[nH]2)c1OC ZINC000587796088 EH Annotated Anodyne COC(C)(C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796160 EH Annotated Anodyne COC(C)(C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796162 EH Annotated Anodyne COC(C)(C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796164 EH Annotated Anodyne COC(C)(C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796166 EH Annotated Anodyne COC[C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796319 EH Annotated Anodyne COC[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796320 EH Annotated Anodyne COC[C@@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796321 EH Annotated Anodyne COC[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796322 EH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587796871 EH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587796873 EH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587796874 EH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 ZINC000587796875 EH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(ccc4ncccc43)[nH]2)c1OC ZINC000587796896 EH Annotated Anodyne CC(C)OC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797384 EH Annotated Anodyne CC(C)OC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797386 EH Annotated Anodyne CC(C)OC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797387 EH Annotated Anodyne CC(C)OC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797389 EH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587797773 EH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587797774 EH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587797775 EH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 ZINC000587797776 EH Annotated Anodyne COc1ccc(C=O)c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)c1OC ZINC000587798332 EH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(cnc4ccccc43)[nH]2)c1OC ZINC000587798385 EH Annotated Anodyne COc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1Cl ZINC000587799410 EH Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587799455 EH Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587799457 EH Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587799459 EH Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 ZINC000587799461 EH Annotated Anodyne Cc1oncc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799527 EH Annotated Anodyne Cc1oncc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799529 EH Annotated Anodyne Cc1oncc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799531 EH Annotated Anodyne Cc1oncc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799532 EH Annotated Anodyne Cc1n[nH]c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800599 EH Annotated Anodyne Cc1n[nH]c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800600 EH Annotated Anodyne Cc1n[nH]c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800601 EH Annotated Anodyne Cc1n[nH]c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800602 EH Annotated Anodyne COC1=C[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806400 EH Annotated Anodyne COC1=C[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806401 EH Annotated Anodyne COC1=C[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806402 EH Annotated Anodyne COC1=C[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806403 EH Annotated Anodyne CCO[C@@H]1CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587806404 EH Annotated Anodyne CCO[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587806405 EH Annotated Anodyne CCO[C@@H]1CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587806406 EH Annotated Anodyne CCO[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587806407 EH Annotated Anodyne CO[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806436 EH Annotated Anodyne CO[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806437 EH Annotated Anodyne CO[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806438 EH Annotated Anodyne CO[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806439 EH Annotated Anodyne CC(C)OC1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806448 EH Annotated Anodyne CC(C)OC1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806449 EH Annotated Anodyne CC(=O)C(C)(C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806831 EH Annotated Anodyne CC(=O)C(C)(C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806832 EH Annotated Anodyne CC(=O)C(C)(C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806833 EH Annotated Anodyne CC(=O)C(C)(C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806835 EH Annotated Anodyne CCOC1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587806929 EH Annotated Anodyne CCOC1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587806930 EH Annotated Anodyne CCOC1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807412 EH Annotated Anodyne CCOC1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807414 EH Annotated Anodyne C=CCO[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807902 EH Annotated Mild C=CCO[C@@H]1CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807903 EH Annotated Mild C=CCO[C@@H]1CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807904 EH Annotated Mild C=CCO[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807905 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COC2CCC2)N1 ZINC000587807918 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COC2CCC2)N1 ZINC000587807919 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COC2CCC2)N1 ZINC000587807920 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COC2CCC2)N1 ZINC000587807921 EH Annotated Anodyne Cc1n[nH]c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808352 EH Annotated Anodyne Cc1n[nH]c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808353 EH Annotated Anodyne Cc1n[nH]c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808354 EH Annotated Anodyne Cc1n[nH]c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808355 EH Annotated Anodyne CO[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808562 EH Annotated Anodyne CO[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808566 EH Annotated Anodyne CO[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808569 EH Annotated Anodyne CO[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808572 EH Annotated Anodyne CCO[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809197 EH Annotated Anodyne CCO[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809199 EH Annotated Anodyne CCO[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809201 EH Annotated Anodyne CCO[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809203 EH Annotated Anodyne CC(=O)C(C)(C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809663 EH Annotated Anodyne CC(=O)C(C)(C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809668 EH Annotated Anodyne CC(=O)C(C)(C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809669 EH Annotated Anodyne CC(=O)C(C)(C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809672 EH Annotated Anodyne CC(=O)CCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809687 EH Annotated Anodyne CC(=O)CCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809691 EH Annotated Anodyne CC(=O)CCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809706 EH Annotated Anodyne CC(=O)CCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809708 EH Annotated Anodyne CC(C)C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809785 EH Annotated Anodyne CC(C)C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809787 EH Annotated Anodyne CC(C)C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809828 EH Annotated Anodyne CC(C)C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809829 EH Annotated Anodyne CCC[C@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810157 EH Annotated Anodyne CCC[C@@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810161 EH Annotated Anodyne CCC[C@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810165 EH Annotated Anodyne CCC[C@@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810167 EH Annotated Anodyne CC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810247 EH Annotated Anodyne CC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810249 EH Annotated Anodyne CC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810250 EH Annotated Anodyne CC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810252 EH Annotated Anodyne CC(C)O[C@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810266 EH Annotated Anodyne CC(C)O[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810267 EH Annotated Anodyne CC(C)O[C@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810268 EH Annotated Anodyne CC(C)O[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810269 EH Annotated Anodyne CCC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810460 EH Annotated Anodyne CCC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810463 EH Annotated Anodyne CCC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810467 EH Annotated Anodyne CCC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810470 EH Annotated Anodyne CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810517 EH Annotated Anodyne CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810520 EH Annotated Anodyne CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810524 EH Annotated Anodyne CC[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810526 EH Annotated Anodyne COC1=C[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810710 EH Annotated Anodyne COC1=C[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810712 EH Annotated Anodyne COC1=C[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810715 EH Annotated Anodyne COC1=C[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810717 EH Annotated Anodyne C=CCO[C@@H]1CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810765 EH Annotated Mild C=CCO[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810767 EH Annotated Mild C=CCO[C@@H]1CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810769 EH Annotated Mild C=CCO[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810770 EH Annotated Mild CC(C)C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810914 EH Annotated Anodyne CC(C)C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810915 EH Annotated Anodyne CC(C)C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810916 EH Annotated Anodyne CC(C)C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810917 EH Annotated Anodyne CC[C@]1(C(C)(C)C=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810977 EH Annotated Mild CC[C@@]1(C(C)(C)C=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810979 EH Annotated Mild CC[C@]1(C(C)(C)C=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810981 EH Annotated Mild CC[C@@]1(C(C)(C)C=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810983 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC=O)N1 ZINC000587811012 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC=O)N1 ZINC000587811013 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC=O)N1 ZINC000587811015 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC=O)N1 ZINC000587811016 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COC2CCC2)N1 ZINC000587811086 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COC2CCC2)N1 ZINC000587811088 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COC2CCC2)N1 ZINC000587811090 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COC2CCC2)N1 ZINC000587811091 EH Annotated Anodyne CC(C)OC1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811142 EH Annotated Anodyne CC(C)OC1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811144 EH Annotated Anodyne CO[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811150 EH Annotated Anodyne CO[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811152 EH Annotated Anodyne CO[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811154 EH Annotated Anodyne CO[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811156 EH Annotated Anodyne CCO[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811181 EH Annotated Anodyne CCO[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811183 EH Annotated Anodyne CCO[C@@H]1CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811185 EH Annotated Anodyne CCO[C@@H]1CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811187 EH Annotated Anodyne CCC[C@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811426 EH Annotated Anodyne CCC[C@@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811428 EH Annotated Anodyne CCC[C@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811430 EH Annotated Anodyne CCC[C@@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811431 EH Annotated Anodyne CCC(=O)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811460 EH Annotated Anodyne CCC(=O)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811461 EH Annotated Anodyne CCC(=O)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811462 EH Annotated Anodyne CCC(=O)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811463 EH Annotated Anodyne CC(=O)[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811480 EH Annotated Anodyne CC(=O)[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811481 EH Annotated Anodyne CC(=O)[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811482 EH Annotated Anodyne CC(=O)[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811483 EH Annotated Anodyne CC(=O)[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811789 EH Annotated Anodyne CC(=O)[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811790 EH Annotated Anodyne CC(=O)[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811792 EH Annotated Anodyne CC(=O)[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811794 EH Annotated Anodyne COC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812052 EH Annotated Anodyne COC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812053 EH Annotated Anodyne CCOC1CC([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587812114 EH Annotated Anodyne CCOC1CC([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587812115 EH Annotated Anodyne CCOC1CC([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587812116 EH Annotated Anodyne CCOC1CC([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587812117 EH Annotated Anodyne CCC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812130 EH Annotated Anodyne CCC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812131 EH Annotated Anodyne CCC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812132 EH Annotated Anodyne CCC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812133 EH Annotated Anodyne CC[C@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812156 EH Annotated Anodyne CC[C@@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812157 EH Annotated Anodyne CC[C@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812158 EH Annotated Anodyne CC[C@@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812159 EH Annotated Anodyne COC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812440 EH Annotated Anodyne COC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812442 EH Annotated Anodyne CO[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812444 EH Annotated Anodyne CO[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812446 EH Annotated Anodyne CO[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812448 EH Annotated Anodyne CO[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812450 EH Annotated Anodyne CCCC(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812804 EH Annotated Anodyne CCCC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812805 EH Annotated Anodyne CCCC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812806 EH Annotated Anodyne CCCC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812807 EH Annotated Anodyne CC(C)CC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812832 EH Annotated Anodyne CC(C)CC(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812833 EH Annotated Anodyne CC(C)CC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812834 EH Annotated Anodyne CC(C)CC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812835 EH Annotated Anodyne CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813056 EH Annotated Anodyne CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813058 EH Annotated Anodyne CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813059 EH Annotated Anodyne CC[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813062 EH Annotated Anodyne CC(C)O[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813105 EH Annotated Anodyne CC(C)O[C@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813106 EH Annotated Anodyne CC(C)O[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813107 EH Annotated Anodyne CC(C)O[C@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813110 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2CC2)N1 ZINC000587813150 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2CC2)N1 ZINC000587813151 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2CC2)N1 ZINC000587813152 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2CC2)N1 ZINC000587813153 EH Annotated Anodyne CC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813184 EH Annotated Anodyne CC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813185 EH Annotated Anodyne CC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813186 EH Annotated Anodyne CC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813187 EH Annotated Anodyne CCOC1CC([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587813308 EH Annotated Anodyne CCOC1CC([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587813309 EH Annotated Anodyne CCOC1CC([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587813310 EH Annotated Anodyne CCOC1CC([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587813311 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC=O)N1 ZINC000587813492 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC=O)N1 ZINC000587813493 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC=O)N1 ZINC000587813494 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC=O)N1 ZINC000587813495 EH Annotated Mild CC[C@]1(C(C)(C)C=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813566 EH Annotated Mild CC[C@@]1(C(C)(C)C=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813567 EH Annotated Mild CC[C@]1(C(C)(C)C=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813568 EH Annotated Mild CC[C@@]1(C(C)(C)C=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813569 EH Annotated Mild CC(=O)CCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813799 EH Annotated Anodyne CC(=O)CCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813801 EH Annotated Anodyne CC(=O)CCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813802 EH Annotated Anodyne CC(=O)CCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813804 EH Annotated Anodyne CC(=O)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813940 EH Annotated Anodyne CC(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813941 EH Annotated Anodyne CC(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813942 EH Annotated Anodyne CC(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813943 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2CC2)N1 ZINC000587814089 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2CC2)N1 ZINC000587814090 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2CC2)N1 ZINC000587814092 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2CC2)N1 ZINC000587814093 EH Annotated Anodyne CCCC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814180 EH Annotated Anodyne CCCC(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814181 EH Annotated Anodyne CCCC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814182 EH Annotated Anodyne CCCC(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814183 EH Annotated Anodyne CC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814184 EH Annotated Anodyne CC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814185 EH Annotated Anodyne CC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814186 EH Annotated Anodyne CC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814187 EH Annotated Anodyne CC(C)CC(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814264 EH Annotated Anodyne CC(C)CC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814265 EH Annotated Anodyne CC(C)CC(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814266 EH Annotated Anodyne CC(C)CC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814267 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2ccccc2)N1 ZINC000587814335 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2ccccc2)N1 ZINC000587814344 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2ccccc2)N1 ZINC000587814345 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2ccccc2)N1 ZINC000587814347 EH Annotated Mild CCO[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587814493 EH Annotated Anodyne CCO[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587814494 EH Annotated Anodyne CCO[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587814495 EH Annotated Anodyne CCO[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587814496 EH Annotated Anodyne CC[C@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814557 EH Annotated Anodyne CC[C@@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814559 EH Annotated Anodyne CC[C@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814560 EH Annotated Anodyne CC[C@@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814561 EH Annotated Anodyne CCC(=O)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814592 EH Annotated Anodyne CCC(=O)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814593 EH Annotated Anodyne CCC(=O)[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814594 EH Annotated Anodyne CCC(=O)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814595 EH Annotated Anodyne CC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814792 EH Annotated Anodyne CC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814794 EH Annotated Anodyne CC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814795 EH Annotated Anodyne CC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814797 EH Annotated Anodyne CC(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814844 EH Annotated Anodyne CC(=O)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814845 EH Annotated Anodyne CC(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814846 EH Annotated Anodyne CC(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814847 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC=O)(C(C)(C)C)N1 ZINC000587814866 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC=O)(C(C)(C)C)N1 ZINC000587814867 EH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC=O)(C(C)(C)C)N1 ZINC000587814868 EH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC=O)(C(C)(C)C)N1 ZINC000587814869 EH Annotated Mild CC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815054 EH Annotated Anodyne CC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815055 EH Annotated Anodyne CC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815056 EH Annotated Anodyne CC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815057 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC=O)(C(C)(C)C)N1 ZINC000587815136 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC=O)(C(C)(C)C)N1 ZINC000587815137 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC=O)(C(C)(C)C)N1 ZINC000587815138 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC=O)(C(C)(C)C)N1 ZINC000587815139 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2ccccc2)N1 ZINC000587815230 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2ccccc2)N1 ZINC000587815231 EH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2ccccc2)N1 ZINC000587815232 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2ccccc2)N1 ZINC000587815233 EH Annotated Mild C#C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815683 EH Annotated Mild C#C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815684 EH Annotated Mild C#C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815685 EH Annotated Mild C#C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815686 EH Annotated Mild CC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816319 EH Annotated Anodyne CC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816320 EH Annotated Anodyne CC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816321 EH Annotated Anodyne CC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816322 EH Annotated Anodyne C#C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816357 EH Annotated Mild C#C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816358 EH Annotated Mild C#C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816359 EH Annotated Mild C#C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816360 EH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2C)N1 ZINC000587816589 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@@H]2C)N1 ZINC000587816590 EH Annotated Anodyne C[C@@H]1C(=O)CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587816591 EH Annotated Anodyne C[C@@H]1C(=O)CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587816592 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc32)N1 ZINC000587816823 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc32)N1 ZINC000587816824 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc32)N1 ZINC000587816825 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc32)N1 ZINC000587816826 EH Annotated Anodyne C[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587816919 EH Annotated Anodyne C[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587816920 EH Annotated Anodyne C[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587816921 EH Annotated Anodyne C[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587816922 EH Annotated Anodyne CC[C@@H]1C(=O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817039 EH Annotated Anodyne CC[C@@H]1C(=O)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817040 EH Annotated Anodyne CC[C@@H]1C(=O)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817041 EH Annotated Anodyne CC[C@@H]1C(=O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817042 EH Annotated Anodyne CC[C@@H]1C(=O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817359 EH Annotated Anodyne CC[C@@H]1C(=O)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817360 EH Annotated Anodyne CC[C@@H]1C(=O)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817361 EH Annotated Anodyne CC[C@@H]1C(=O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587817362 EH Annotated Anodyne CC[C@@H]1CCC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817865 EH Annotated Anodyne CC[C@@H]1CCC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817867 EH Annotated Anodyne CC[C@@H]1CCC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817869 EH Annotated Anodyne CC[C@@H]1CCC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817872 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC(=O)C2)N1 ZINC000587818068 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC(=O)C2)N1 ZINC000587818069 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC(=O)C2)N1 ZINC000587818070 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC(=O)C2)N1 ZINC000587818071 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)[C@@H](C)C2=O)N1 ZINC000587818169 EH Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)[C@@H]1C ZINC000587818170 EH Annotated Anodyne C[C@@H]1C(=O)[C@@]2(C[C@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818171 EH Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)[C@H]1C ZINC000587818172 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2C)N1 ZINC000587818320 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@@H]2C)N1 ZINC000587818321 EH Annotated Anodyne C[C@@H]1C(=O)CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818322 EH Annotated Anodyne C[C@@H]1C(=O)CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818323 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)[C@@H](C)C2=O)N1 ZINC000587818476 EH Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)[C@@H]1C ZINC000587818477 EH Annotated Anodyne C[C@@H]1C(=O)[C@@]2(C[C@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818480 EH Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)[C@H]1C ZINC000587818482 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C[C@@H](C)[C@H]2C ZINC000587818494 EH Annotated Anodyne C[C@H]1CC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C ZINC000587818497 EH Annotated Anodyne C[C@H]1[C@H](C)CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818499 EH Annotated Anodyne C[C@H]1CC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1C ZINC000587818501 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc32)N1 ZINC000587818612 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc32)N1 ZINC000587818613 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc32)N1 ZINC000587818614 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc32)N1 ZINC000587818615 EH Annotated Anodyne C[C@H]1CCCC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818882 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CCC[C@H]2C ZINC000587818883 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CCC[C@H]2C ZINC000587818884 EH Annotated Anodyne C[C@H]1CCCC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818885 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC(=O)C2)N1 ZINC000587818948 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC(=O)C2)N1 ZINC000587818949 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC(=O)C2)N1 ZINC000587818950 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC(=O)C2)N1 ZINC000587818951 EH Annotated Anodyne CC[C@@H]1CC[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587819450 EH Annotated Anodyne CC[C@@H]1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587819451 EH Annotated Anodyne CC[C@@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587819452 EH Annotated Anodyne CC[C@@H]1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587819453 EH Annotated Anodyne C[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819926 EH Annotated Anodyne C[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819928 EH Annotated Anodyne C[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819930 EH Annotated Anodyne C[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587819932 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](CO)C2)N1 ZINC000587820275 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](CO)C2)N1 ZINC000587820277 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](CO)C2)N1 ZINC000587820279 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](CO)C2)N1 ZINC000587820281 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C[C@@H](C)[C@H]2C ZINC000587822127 EH Annotated Anodyne C[C@H]1CC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C ZINC000587822128 EH Annotated Anodyne C[C@H]1[C@H](C)CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822129 EH Annotated Anodyne C[C@H]1CC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1C ZINC000587822130 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(O)CCCC2)N1 ZINC000587822324 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(O)CCCC2)N1 ZINC000587822325 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(O)CCCC2)N1 ZINC000587822326 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(O)CCCC2)N1 ZINC000587822327 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCC2=O)N1 ZINC000587822680 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCC2=O)N1 ZINC000587822681 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCC2=O)N1 ZINC000587822682 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCC2=O)N1 ZINC000587822683 EH Annotated Anodyne C[C@H]1CCC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587822833 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](C)C2=O)N1 ZINC000587822835 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](C)C2=O)N1 ZINC000587822837 EH Annotated Anodyne C[C@H]1CCC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587822838 EH Annotated Anodyne CC[C@@H]1CCC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822902 EH Annotated Anodyne CC[C@@H]1CCC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822903 EH Annotated Anodyne CC[C@@H]1CCC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822904 EH Annotated Anodyne CC[C@@H]1CCC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822905 EH Annotated Anodyne CC[C@@H]1CC[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823019 EH Annotated Anodyne CC[C@@H]1CC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823023 EH Annotated Anodyne CC[C@@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823026 EH Annotated Anodyne CC[C@@H]1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823029 EH Annotated Anodyne C[C@H]1C[C@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823098 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](C)C[C@H]2C ZINC000587823100 EH Annotated Anodyne C[C@H]1C[C@@H](C)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823101 EH Annotated Anodyne C[C@H]1C[C@@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823102 EH Annotated Anodyne C[C@H]1C[C@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587823143 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](C)C[C@H]2C ZINC000587823145 EH Annotated Anodyne C[C@H]1C[C@@H](C)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823147 EH Annotated Anodyne C[C@H]1C[C@@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587823149 EH Annotated Anodyne CC(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823169 EH Annotated Anodyne CC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823170 EH Annotated Anodyne CC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823171 EH Annotated Anodyne CC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823173 EH Annotated Anodyne CC(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823590 EH Annotated Anodyne CC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823592 EH Annotated Anodyne CC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823594 EH Annotated Anodyne CC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823596 EH Annotated Anodyne C[C@H]1CCC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587823632 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](C)C2=O)N1 ZINC000587823634 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](C)C2=O)N1 ZINC000587823636 EH Annotated Anodyne C[C@H]1CCC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587823639 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCC2=O)N1 ZINC000587823698 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCC2=O)N1 ZINC000587823700 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCC2=O)N1 ZINC000587823702 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCC2=O)N1 ZINC000587823703 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(O)CCCC2)N1 ZINC000587823725 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(O)CCCC2)N1 ZINC000587823726 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(O)CCCC2)N1 ZINC000587823727 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(O)CCCC2)N1 ZINC000587823728 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCO)N1 ZINC000587824367 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCO)N1 ZINC000587824368 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCO)N1 ZINC000587824369 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCO)N1 ZINC000587824370 EH Annotated Anodyne C[C@H]1CCCC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824765 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CCC[C@H]2C ZINC000587824766 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CCC[C@H]2C ZINC000587824767 EH Annotated Anodyne C[C@H]1CCCC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824768 EH Annotated Anodyne CC[C@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825278 EH Annotated Anodyne CC[C@@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825279 EH Annotated Anodyne CC[C@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825280 EH Annotated Anodyne CC[C@@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825281 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CO)CC2)N1 ZINC000587825366 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CO)CC2)N1 ZINC000587825367 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)o2)N1 ZINC000587826195 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)o2)N1 ZINC000587826196 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)o2)N1 ZINC000587826197 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)o2)N1 ZINC000587826198 EH Annotated Anodyne COc1ccoc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826259 EH Annotated Anodyne COc1ccoc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826260 EH Annotated Anodyne COc1ccoc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826261 EH Annotated Anodyne COc1ccoc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826262 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](CO)C2)N1 ZINC000587827032 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](CO)C2)N1 ZINC000587827033 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](CO)C2)N1 ZINC000587827034 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](CO)C2)N1 ZINC000587827035 EH Annotated Anodyne CC[C@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827298 EH Annotated Anodyne CC[C@@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827299 EH Annotated Anodyne CC[C@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827300 EH Annotated Anodyne CC[C@@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827304 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCO)N1 ZINC000587827454 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCO)N1 ZINC000587827455 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCO)N1 ZINC000587827456 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCO)N1 ZINC000587827457 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CO)CC2)N1 ZINC000587827466 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CO)CC2)N1 ZINC000587827467 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2OC2(C)C)N1 ZINC000587828828 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2OC2(C)C)N1 ZINC000587828829 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2OC2(C)C)N1 ZINC000587828830 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2OC2(C)C)N1 ZINC000587828831 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2OCCC2(C)C)N1 ZINC000587828832 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2OCCC2(C)C)N1 ZINC000587828833 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2OCCC2(C)C)N1 ZINC000587828834 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2OCCC2(C)C)N1 ZINC000587828835 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCCO2)N1 ZINC000587828876 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCCO2)N1 ZINC000587828877 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCCO2)N1 ZINC000587828878 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCCO2)N1 ZINC000587828879 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C)O[C@H](C)C2)N1 ZINC000587829234 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](C)O[C@H](C)C2)N1 ZINC000587829235 EH Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829236 EH Annotated Anodyne C[C@H]1CC2(C[C@H](C)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829237 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC2(C)C)N1 ZINC000587829755 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC2(C)C)N1 ZINC000587829756 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC2(C)C)N1 ZINC000587829757 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC2(C)C)N1 ZINC000587829758 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C)O[C@H](C)C2)N1 ZINC000587829902 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](C)O[C@H](C)C2)N1 ZINC000587829904 EH Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829906 EH Annotated Anodyne C[C@H]1CC2(C[C@H](C)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587829908 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2O)N1 ZINC000587830566 EH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2O)N1 ZINC000587830570 EH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2O)N1 ZINC000587830571 EH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2O)N1 ZINC000587830573 EH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)o2)N1 ZINC000587830775 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)o2)N1 ZINC000587830778 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)o2)N1 ZINC000587830779 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)o2)N1 ZINC000587830781 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCC=CO2)N1 ZINC000587830843 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCC=CO2)N1 ZINC000587830844 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCC=CO2)N1 ZINC000587830845 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCC=CO2)N1 ZINC000587830846 EH Annotated Anodyne CC[C@@H]1C[C@]2(CCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831156 EH Annotated Anodyne CC[C@@H]1C[C@@]2(CCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831157 EH Annotated Anodyne CC[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831159 EH Annotated Anodyne CC[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831160 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC(C)(C)C2)N1 ZINC000587831197 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC(C)(C)C2)N1 ZINC000587831199 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC(C)(C)C2)N1 ZINC000587831200 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC(C)(C)C2)N1 ZINC000587831202 EH Annotated Anodyne COc1ccoc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831492 EH Annotated Anodyne COc1ccoc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831493 EH Annotated Anodyne COc1ccoc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831494 EH Annotated Anodyne COc1ccoc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831496 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2OC2(C)C)N1 ZINC000587831664 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2OC2(C)C)N1 ZINC000587831665 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2OC2(C)C)N1 ZINC000587831666 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2OC2(C)C)N1 ZINC000587831667 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC(=O)O)N1 ZINC000587831753 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC(=O)O)N1 ZINC000587831756 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC(=O)O)N1 ZINC000587831759 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC(=O)O)N1 ZINC000587831761 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2)N1 ZINC000587831793 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2)N1 ZINC000587831795 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2)N1 ZINC000587831797 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2)N1 ZINC000587831799 EH Annotated Anodyne CCC1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)COC1 ZINC000587831913 EH Annotated Anodyne CCC1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)COC1 ZINC000587831915 EH Annotated Anodyne CCC1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)COC1 ZINC000587831918 EH Annotated Anodyne CCC1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)COC1 ZINC000587831922 EH Annotated Anodyne CCC1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)COC1 ZINC000587832002 EH Annotated Anodyne CCC1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)COC1 ZINC000587832003 EH Annotated Anodyne CCC1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)COC1 ZINC000587832005 EH Annotated Anodyne CCC1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)COC1 ZINC000587832007 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H]2CCCOC2)N1 ZINC000587832009 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H]2CCCOC2)N1 ZINC000587832018 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H]2CCCOC2)N1 ZINC000587832019 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H]2CCCOC2)N1 ZINC000587832020 EH Annotated Anodyne CCC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)COC1 ZINC000587832038 EH Annotated Anodyne CCC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)COC1 ZINC000587832040 EH Annotated Anodyne CCC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)COC1 ZINC000587832041 EH Annotated Anodyne CCC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)COC1 ZINC000587832042 EH Annotated Anodyne CCC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)COC1 ZINC000587832049 EH Annotated Anodyne CCC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)COC1 ZINC000587832051 EH Annotated Anodyne CCC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)COC1 ZINC000587832053 EH Annotated Anodyne CCC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)COC1 ZINC000587832054 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC(=O)O)N1 ZINC000587832109 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC(=O)O)N1 ZINC000587832111 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC(=O)O)N1 ZINC000587832114 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC(=O)O)N1 ZINC000587832116 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@H]2CCOC2)N1 ZINC000587832253 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@@H]2CCOC2)N1 ZINC000587832255 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@H]2CCOC2)N1 ZINC000587832257 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@@H]2CCOC2)N1 ZINC000587832259 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCOCC2)N1 ZINC000587832261 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCOCC2)N1 ZINC000587832263 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCOCC2)N1 ZINC000587832264 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCOCC2)N1 ZINC000587832265 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=COCCC2)N1 ZINC000587832467 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=COCCC2)N1 ZINC000587832469 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=COCCC2)N1 ZINC000587832470 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=COCCC2)N1 ZINC000587832471 EH Annotated Anodyne CC[C@@H]1C[C@]2(CCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832510 EH Annotated Anodyne CC[C@@H]1C[C@@]2(CCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832512 EH Annotated Anodyne CC[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832513 EH Annotated Anodyne CC[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832514 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCOCC2)N1 ZINC000587832770 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCOCC2)N1 ZINC000587832772 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCOCC2)N1 ZINC000587832774 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCOCC2)N1 ZINC000587832775 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCOC2)N1 ZINC000587832837 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2CCOC2)N1 ZINC000587832838 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCOC2)N1 ZINC000587832839 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2CCOC2)N1 ZINC000587832840 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCCO2)N1 ZINC000587832855 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCCO2)N1 ZINC000587832856 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCCO2)N1 ZINC000587832857 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCCO2)N1 ZINC000587832858 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2CCCO2)N1 ZINC000587832961 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCCO2)N1 ZINC000587832963 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOCC2)N1 ZINC000587833003 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOCC2)N1 ZINC000587833004 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOCC2)N1 ZINC000587833005 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOCC2)N1 ZINC000587833006 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2CCCO2)N1 ZINC000587833073 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCOCC2)N1 ZINC000587833074 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCCO2)N1 ZINC000587833076 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCOCC2)N1 ZINC000587833077 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCOCC2)N1 ZINC000587833079 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCOCC2)N1 ZINC000587833082 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2O)N1 ZINC000587833106 EH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2O)N1 ZINC000587833110 EH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2O)N1 ZINC000587833113 EH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2O)N1 ZINC000587833114 EH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@H](C)C2)N1 ZINC000587833219 EH Annotated Anodyne C[C@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833221 EH Annotated Anodyne C[C@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833223 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@H](C)C2)N1 ZINC000587833224 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2OCCC2(C)C)N1 ZINC000587833405 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2OCCC2(C)C)N1 ZINC000587833412 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2OCCC2(C)C)N1 ZINC000587833413 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2OCCC2(C)C)N1 ZINC000587833415 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCOC2)N1 ZINC000587833426 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCOC2)N1 ZINC000587833427 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCOC2)N1 ZINC000587833429 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCOC2)N1 ZINC000587833431 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCCOC2)N1 ZINC000587833433 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCCOC2)N1 ZINC000587833443 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCCOC2)N1 ZINC000587833447 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCCOC2)N1 ZINC000587833449 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@H](C)C2)N1 ZINC000587833546 EH Annotated Anodyne C[C@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833549 EH Annotated Anodyne C[C@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833552 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@H](C)C2)N1 ZINC000587833553 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2)N1 ZINC000587833739 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2)N1 ZINC000587833744 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2)N1 ZINC000587833749 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2)N1 ZINC000587833753 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2)N1 ZINC000587833782 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2)N1 ZINC000587833785 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2)N1 ZINC000587833790 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2)N1 ZINC000587833793 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCOC2)N1 ZINC000587834018 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2CCOC2)N1 ZINC000587834020 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCOC2)N1 ZINC000587834021 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2CCOC2)N1 ZINC000587834023 EH Annotated Anodyne C[C@H](O)CCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834049 EH Annotated Anodyne C[C@@H](O)CCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834052 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC[C@@H](C)O)N1 ZINC000587834053 EH Annotated Anodyne C[C@H](O)CCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834055 EH Annotated Anodyne C[C@H](O)CCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834056 EH Annotated Anodyne C[C@@H](O)CCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834058 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCC[C@@H](C)O)N1 ZINC000587834059 EH Annotated Anodyne C[C@H](O)CCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834060 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]2(C)CCCO2)N1 ZINC000587834167 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@]2(C)CCCO2)N1 ZINC000587834168 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]2(C)CCCO2)N1 ZINC000587834169 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@]2(C)CCCO2)N1 ZINC000587834170 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCOCC2)N1 ZINC000587834239 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCOCC2)N1 ZINC000587834240 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCOCC2)N1 ZINC000587834241 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCOCC2)N1 ZINC000587834242 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H]2CCOC2)N1 ZINC000587834346 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H]2CCOC2)N1 ZINC000587834349 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H]2CCOC2)N1 ZINC000587834499 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H]2CCOC2)N1 ZINC000587834500 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H]2CCCOC2)N1 ZINC000587834552 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H]2CCCOC2)N1 ZINC000587834553 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H]2CCCOC2)N1 ZINC000587834555 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H]2CCCOC2)N1 ZINC000587834557 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@@H]2CCOC2)N1 ZINC000587834638 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@@H]2CCOC2)N1 ZINC000587834640 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@H]2CCOC2)N1 ZINC000587834641 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@H]2CCOC2)N1 ZINC000587834643 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCOC2)N1 ZINC000587834657 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCOC2)N1 ZINC000587834659 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCOC2)N1 ZINC000587834660 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCOC2)N1 ZINC000587834661 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCOCC2)N1 ZINC000587834952 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCOCC2)N1 ZINC000587834954 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCOCC2)N1 ZINC000587834956 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCOCC2)N1 ZINC000587834958 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]2(C)CCCO2)N1 ZINC000587835095 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@]2(C)CCCO2)N1 ZINC000587835096 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]2(C)CCCO2)N1 ZINC000587835097 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@]2(C)CCCO2)N1 ZINC000587835098 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2)N1 ZINC000587835143 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2)N1 ZINC000587835144 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2)N1 ZINC000587835145 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2)N1 ZINC000587835146 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCOCC2)N1 ZINC000587835279 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCOCC2)N1 ZINC000587835280 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCOCC2)N1 ZINC000587835281 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCOCC2)N1 ZINC000587835282 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H]2CCOC2)N1 ZINC000587835283 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H]2CCOC2)N1 ZINC000587835284 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H]2CCOC2)N1 ZINC000587835285 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H]2CCOC2)N1 ZINC000587835286 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCO2)N1 ZINC000587835319 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCO2)N1 ZINC000587835320 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCO2)N1 ZINC000587835321 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCO2)N1 ZINC000587835322 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCOC2)N1 ZINC000587835494 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCOC2)N1 ZINC000587835495 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCOC2)N1 ZINC000587835497 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCOC2)N1 ZINC000587835498 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCOCC2)N1 ZINC000587835527 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCOCC2)N1 ZINC000587835528 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCOCC2)N1 ZINC000587835529 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCOCC2)N1 ZINC000587835530 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCCOC2)N1 ZINC000587835547 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCCOC2)N1 ZINC000587835548 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCCOC2)N1 ZINC000587835549 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCCOC2)N1 ZINC000587835550 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC2(C)C)N1 ZINC000587835685 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC2(C)C)N1 ZINC000587835686 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC2(C)C)N1 ZINC000587835687 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC2(C)C)N1 ZINC000587835688 EH Annotated Anodyne C[C@@H](O)CCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835767 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCC[C@@H](C)O)N1 ZINC000587835770 EH Annotated Anodyne C[C@H](O)CCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835771 EH Annotated Anodyne C[C@@H](O)CCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835772 EH Annotated Anodyne C[C@H](O)CCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835774 EH Annotated Anodyne C[C@H](O)CCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835776 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC[C@@H](C)O)N1 ZINC000587835778 EH Annotated Anodyne C[C@H](O)CCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835780 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=COCCC2)N1 ZINC000587835837 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=COCCC2)N1 ZINC000587835839 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=COCCC2)N1 ZINC000587835840 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=COCCC2)N1 ZINC000587835841 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC(C)(C)C2)N1 ZINC000587835997 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC(C)(C)C2)N1 ZINC000587835999 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC(C)(C)C2)N1 ZINC000587836001 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC(C)(C)C2)N1 ZINC000587836003 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCO2)N1 ZINC000587836041 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCO2)N1 ZINC000587836043 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCO2)N1 ZINC000587836046 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCO2)N1 ZINC000587836048 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2CCCO2)N1 ZINC000587836249 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCCO2)N1 ZINC000587836250 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2CCCO2)N1 ZINC000587836251 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCCO2)N1 ZINC000587836252 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCC=CO2)N1 ZINC000587836313 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCC=CO2)N1 ZINC000587836314 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCC=CO2)N1 ZINC000587836315 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCC=CO2)N1 ZINC000587836316 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCOC2)N1 ZINC000587836659 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCOC2)N1 ZINC000587836660 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCOC2)N1 ZINC000587836661 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCOC2)N1 ZINC000587836662 EH Annotated Anodyne CC[C@]1([C@@H]2CCOC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837101 EH Annotated Anodyne CC[C@]1([C@H]2CCOC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837102 EH Annotated Anodyne CC[C@]1([C@@H]2CCOC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837103 EH Annotated Anodyne CC[C@]1([C@H]2CCOC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837104 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCOCC2)N1 ZINC000587837109 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCOCC2)N1 ZINC000587837110 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCOCC2)N1 ZINC000587837111 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCOCC2)N1 ZINC000587837112 EH Annotated Anodyne CC[C@]1([C@@H]2CCOC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837123 EH Annotated Anodyne CC[C@]1([C@H]2CCOC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837124 EH Annotated Anodyne CC[C@]1([C@@H]2CCOC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837125 EH Annotated Anodyne CC[C@]1([C@H]2CCOC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837126 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOCC2)N1 ZINC000587837171 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOCC2)N1 ZINC000587837173 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOCC2)N1 ZINC000587837175 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOCC2)N1 ZINC000587837176 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@]3(C)O[C@H]23)N1 ZINC000587839564 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@]3(C)O[C@H]32)N1 ZINC000587839569 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@]3(C)O[C@@H]23)N1 ZINC000587839570 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@]3(C)O[C@@H]32)N1 ZINC000587839571 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@]3(C)O[C@H]23)N1 ZINC000587840548 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@]3(C)O[C@H]32)N1 ZINC000587840549 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@]3(C)O[C@@H]23)N1 ZINC000587840550 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@]3(C)O[C@@H]32)N1 ZINC000587840551 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3OCCC[C@@H]32)N1 ZINC000587840985 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3OCCC[C@H]32)N1 ZINC000587840987 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3OCCC[C@H]32)N1 ZINC000587840989 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3OCCC[C@@H]32)N1 ZINC000587840991 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@@H](C)C2)N1 ZINC000587841281 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@H](C)C2)N1 ZINC000587841282 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@H](C)C2)N1 ZINC000587841283 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@@H](C)C2)N1 ZINC000587841284 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@@H](C)C2)N1 ZINC000587841708 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@H](C)C2)N1 ZINC000587841712 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@H](C)C2)N1 ZINC000587841714 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@@H](C)C2)N1 ZINC000587841715 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3OCCC[C@H]32)N1 ZINC000587842173 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3OCCC[C@@H]32)N1 ZINC000587842175 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3OCCC[C@H]32)N1 ZINC000587842177 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3OCCC[C@@H]32)N1 ZINC000587842179 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCO2)N1 ZINC000587843956 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCO2)N1 ZINC000587843963 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCO2)N1 ZINC000587844834 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCO2)N1 ZINC000587844835 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)O3)N1 ZINC000587845198 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)O3)N1 ZINC000587845199 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)O3)N1 ZINC000587845263 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)O3)N1 ZINC000587845265 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCO2)N1 ZINC000587851282 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCO2)N1 ZINC000587851283 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cscn2)N1 ZINC000587851408 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cscn2)N1 ZINC000587851409 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cscn2)N1 ZINC000587851410 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cscn2)N1 ZINC000587851411 EH Annotated Anodyne Cc1ncsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851780 EH Annotated Anodyne Cc1ncsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851781 EH Annotated Anodyne Cc1ncsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851782 EH Annotated Anodyne Cc1ncsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851783 EH Annotated Anodyne Cc1ncsc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851784 EH Annotated Anodyne Cc1ncsc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851785 EH Annotated Anodyne Cc1ncsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851786 EH Annotated Anodyne Cc1ncsc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851787 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncs2)N1 ZINC000587851792 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncs2)N1 ZINC000587851793 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncs2)N1 ZINC000587851794 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncs2)N1 ZINC000587851795 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cscn2)N1 ZINC000587851820 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cscn2)N1 ZINC000587851821 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cscn2)N1 ZINC000587851822 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cscn2)N1 ZINC000587851823 EH Annotated Anodyne Cc1scnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851880 EH Annotated Anodyne Cc1scnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851882 EH Annotated Anodyne Cc1scnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851883 EH Annotated Anodyne Cc1scnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851885 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCO2)N1 ZINC000587851963 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCO2)N1 ZINC000587851964 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncs2)N1 ZINC000587852111 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncs2)N1 ZINC000587852113 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncs2)N1 ZINC000587852114 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncs2)N1 ZINC000587852115 EH Annotated Anodyne Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852175 EH Annotated Anodyne Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852176 EH Annotated Anodyne Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852177 EH Annotated Anodyne Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852179 EH Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852668 EH Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852669 EH Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852670 EH Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587852671 EH Annotated Anodyne Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587852780 EH Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587852781 EH Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587852782 EH Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587852783 EH Annotated Anodyne Cc1csc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587853095 EH Annotated Anodyne Cc1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587853096 EH Annotated Anodyne Cc1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587853097 EH Annotated Anodyne Cc1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587853098 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccs2)N1 ZINC000587853310 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccs2)N1 ZINC000587853311 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccs2)N1 ZINC000587853312 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccs2)N1 ZINC000587853313 EH Annotated Anodyne Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853791 EH Annotated Anodyne Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853793 EH Annotated Anodyne Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853794 EH Annotated Anodyne Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853796 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CSC3)C2)N1 ZINC000587853963 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CSC3)C2)N1 ZINC000587853964 EH Annotated Anodyne Cc1nscc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854054 EH Annotated Anodyne Cc1nscc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854055 EH Annotated Anodyne Cc1nscc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854056 EH Annotated Anodyne Cc1nscc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854057 EH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sn1 ZINC000587854066 EH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sn1 ZINC000587854067 EH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sn1 ZINC000587854068 EH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sn1 ZINC000587854069 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncs2)N1 ZINC000587854119 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncs2)N1 ZINC000587854121 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncs2)N1 ZINC000587854122 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncs2)N1 ZINC000587854124 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccns2)N1 ZINC000587854464 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccns2)N1 ZINC000587854465 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccns2)N1 ZINC000587854466 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccns2)N1 ZINC000587854467 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCSC2)N1 ZINC000587854562 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCSC2)N1 ZINC000587854565 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCSC2)N1 ZINC000587854566 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCSC2)N1 ZINC000587854568 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccs2)N1 ZINC000587854590 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccs2)N1 ZINC000587854592 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccs2)N1 ZINC000587854593 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccs2)N1 ZINC000587854594 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncs2)N1 ZINC000587854635 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncs2)N1 ZINC000587854636 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncs2)N1 ZINC000587854637 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncs2)N1 ZINC000587854638 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cscn2)N1 ZINC000587855059 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cscn2)N1 ZINC000587855060 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cscn2)N1 ZINC000587855061 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cscn2)N1 ZINC000587855062 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccs2)N1 ZINC000587855075 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccs2)N1 ZINC000587855076 EH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sn1 ZINC000587855084 EH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sn1 ZINC000587855085 EH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sn1 ZINC000587855086 EH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sn1 ZINC000587855087 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccs2)N1 ZINC000587855250 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccs2)N1 ZINC000587855251 EH Annotated Anodyne Cc1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587855424 EH Annotated Anodyne Cc1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587855427 EH Annotated Anodyne Cc1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587855430 EH Annotated Anodyne Cc1csc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587855431 EH Annotated Anodyne C[C@@H]1SCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855591 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS[C@@H]2C)N1 ZINC000587855599 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS[C@@H]2C)N1 ZINC000587855601 EH Annotated Anodyne C[C@@H]1SCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855602 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSC[C@@H]2C)N1 ZINC000587855797 EH Annotated Anodyne C[C@@H]1CSC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855799 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSC[C@@H]2C)N1 ZINC000587855802 EH Annotated Anodyne C[C@@H]1CSC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855804 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccs2)N1 ZINC000587856279 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccs2)N1 ZINC000587856281 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccs2)N1 ZINC000587856284 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccs2)N1 ZINC000587856286 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccns2)N1 ZINC000587856563 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccns2)N1 ZINC000587856565 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccns2)N1 ZINC000587856566 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccns2)N1 ZINC000587856567 EH Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856725 EH Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856727 EH Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856728 EH Annotated Anodyne Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587856729 EH Annotated Anodyne Cc1scnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856745 EH Annotated Anodyne Cc1scnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856747 EH Annotated Anodyne Cc1scnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856748 EH Annotated Anodyne Cc1scnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856749 EH Annotated Anodyne C[C@@H]1SCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857003 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS[C@@H]2C)N1 ZINC000587857009 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS[C@@H]2C)N1 ZINC000587857014 EH Annotated Anodyne C[C@@H]1SCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857018 EH Annotated Anodyne Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587857242 EH Annotated Anodyne Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587857243 EH Annotated Anodyne Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587857246 EH Annotated Anodyne Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587857247 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cscn2)N1 ZINC000587857267 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cscn2)N1 ZINC000587857268 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cscn2)N1 ZINC000587857270 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cscn2)N1 ZINC000587857272 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCSC2)N1 ZINC000587857758 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCSC2)N1 ZINC000587857766 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCSC2)N1 ZINC000587857767 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCSC2)N1 ZINC000587857769 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCSC2)N1 ZINC000587857992 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCSC2)N1 ZINC000587857994 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCSC2)N1 ZINC000587857996 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCSC2)N1 ZINC000587857997 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CSC3)C2)N1 ZINC000587858092 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CSC3)C2)N1 ZINC000587858093 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCSCC2)N1 ZINC000587858165 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCSCC2)N1 ZINC000587858167 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnsc2)N1 ZINC000587858199 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnsc2)N1 ZINC000587858200 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnsc2)N1 ZINC000587858202 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnsc2)N1 ZINC000587858203 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCO ZINC000587858303 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(C)(C)O ZINC000587858540 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCSC2)N1 ZINC000587858668 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCSC2)N1 ZINC000587858669 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCSC2)N1 ZINC000587858670 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCSC2)N1 ZINC000587858671 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCSC2)N1 ZINC000587858768 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCSC2)N1 ZINC000587858769 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCSC2)N1 ZINC000587858770 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCSC2)N1 ZINC000587858772 EH Annotated Anodyne Cc1nscc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858778 EH Annotated Anodyne Cc1nscc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858779 EH Annotated Anodyne Cc1nscc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858780 EH Annotated Anodyne Cc1nscc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858781 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCSCC2)N1 ZINC000587858809 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCSCC2)N1 ZINC000587858810 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSC[C@@H]2C)N1 ZINC000587859041 EH Annotated Anodyne C[C@@H]1CSC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587859043 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSC[C@@H]2C)N1 ZINC000587859044 EH Annotated Anodyne C[C@@H]1CSC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587859045 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCSC2)N1 ZINC000587859135 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCSC2)N1 ZINC000587859137 EH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCSC2)N1 ZINC000587859138 EH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCSC2)N1 ZINC000587859139 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N(C)C ZINC000587859152 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@@H](C)O ZINC000587859240 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@H](C)O ZINC000587859241 EH Annotated Anodyne CCNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC ZINC000587859258 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N(C)C ZINC000587859316 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)OC ZINC000587859390 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccns2)N1 ZINC000587859436 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccns2)N1 ZINC000587859437 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccns2)N1 ZINC000587859438 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccns2)N1 ZINC000587859439 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)OC ZINC000587859502 EH Annotated Anodyne CCOCC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC ZINC000587859519 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC ZINC000587859790 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccns2)N1 ZINC000587859927 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccns2)N1 ZINC000587859928 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccns2)N1 ZINC000587859929 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccns2)N1 ZINC000587859930 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnsc2)N1 ZINC000587859953 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnsc2)N1 ZINC000587859954 EH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnsc2)N1 ZINC000587859955 EH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnsc2)N1 ZINC000587859956 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccn1C ZINC000587860261 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCN(C)C ZINC000587860276 EH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CS ZINC000587861467 EH Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(F)(F)F ZINC000587861731 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccco1 ZINC000587861786 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccncc1 ZINC000587861847 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccn1 ZINC000587862159 EH Annotated Anodyne C=C(c1cnccn1)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862334 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1ccccn1 ZINC000587862355 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccnc1 ZINC000587862381 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccoc1 ZINC000587862385 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1(C#N)CC1 ZINC000587862417 EH Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1oc(C)nc1C#N ZINC000587862433 EH Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(C#N)n1 ZINC000587862445 EH Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc(C)n1 ZINC000587862460 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1[C@@H]1CCC[C@H]1O ZINC000587862568 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(C)cc1N ZINC000587862587 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C1CCOCC1 ZINC000587862747 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(O)c1 ZINC000587862748 EH Annotated Anodyne COc1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc1 ZINC000587862796 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)ncn1 ZINC000587862905 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1C#N ZINC000587862964 EH Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccn1C ZINC000587862986 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C[C@H]1CCCO1 ZINC000587863088 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C[C@@H]1CCCO1 ZINC000587863089 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1C ZINC000587863280 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C#N)ccn1 ZINC000587863300 EH Annotated Mild CCCNC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863335 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C#N)cn1 ZINC000587863370 EH Annotated Mild CCCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863673 EH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc[nH]1 ZINC000587863929 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1(C#N)CC1 ZINC000587864591 EH Annotated Mild CCOCC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587865094 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cnccn1 ZINC000587865575 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C[C@H](O)CC ZINC000587865727 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C[C@@H](O)CC ZINC000587865728 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnccn1 ZINC000587865748 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccnn1 ZINC000587865815 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccn1C ZINC000587865859 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cncnc1 ZINC000587865907 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCN(C)C ZINC000587866114 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ncccn1 ZINC000587866127 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCCCO ZINC000587866128 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccn1 ZINC000587866132 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnnc1 ZINC000587866138 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC(C)(C)O ZINC000587866139 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cncnc1 ZINC000587866163 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccnnc1 ZINC000587866173 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccncn1 ZINC000587866177 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCS ZINC000587866426 EH Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N(C)C ZINC000587866868 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc[nH]1 ZINC000587866870 EH Annotated Anodyne CCNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587867036 EH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CS ZINC000587867095 EH Annotated Mild C=C(c1ccccn1)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867347 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC(C)C ZINC000587867472 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1 ZINC000587867547 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(C)(C)C ZINC000587867676 EH Annotated Anodyne COc1ccccc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867810 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1C#N ZINC000587867856 EH Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCc1ccncc1 ZINC000587867878 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CC(F)(F)F ZINC000587867969 EH Annotated Anodyne CCCCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868127 EH Annotated Anodyne CC[C@@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868206 EH Annotated Anodyne CC[C@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868207 EH Annotated Anodyne C=C1CC(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)C1 ZINC000587868393 EH Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(O)c1 ZINC000587868500 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCc1ccccn1 ZINC000587868717 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)OC(C)(C)C ZINC000587868748 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1C ZINC000587868879 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C#N)c1 ZINC000587868895 EH Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C)n1 ZINC000587868967 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C)cn1 ZINC000587868973 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)ccn1 ZINC000587868994 EH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)cs1 ZINC000587869796 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(C)c1O ZINC000587870297 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccco1 ZINC000587870344 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccccc1 ZINC000587870360 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)oc1C ZINC000587870372 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)ccc1N ZINC000587870401 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1c(C)noc1C ZINC000587870520 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(O)cc1 ZINC000587870713 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)ccn1 ZINC000587870748 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)cc1O ZINC000587870771 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(F)(F)F)[nH]n1 ZINC000587870834 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccncc1Cl ZINC000587870840 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)c(CO)n1 ZINC000587870863 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1cccnc1 ZINC000587870874 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnc(Cl)c1 ZINC000587871016 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)cn1 ZINC000587871026 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C#N)cc1 ZINC000587871034 EH Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1-c1ccc2c(c1)OCCO2 ZINC000587871124 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2n1C ZINC000587871173 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)cn1C ZINC000587871238 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(=O)OC)cc1 ZINC000587871325 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-n2cnnc2)cc1 ZINC000587871352 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nccnc1C(C)C ZINC000587871416 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1[N+](=O)[O-] ZINC000587871430 EH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1ncc([N+](=O)[O-])cc1C ZINC000587871492 EH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C#N)cc(Cl)n1 ZINC000587871512 EH Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1F ZINC000587871529 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)cc(C(C)C)n1 ZINC000587871634 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)on1 ZINC000587871637 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc(SC)n1 ZINC000587871855 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(C)cc1[N+](=O)[O-] ZINC000587871879 EH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1CCC(=O)OC(C)(C)C ZINC000587871997 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCc1ccco1 ZINC000587872068 EH Annotated Anodyne O=C(c1cc(Br)co1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872107 EH Annotated Anodyne Nc1cnc(-n2nc3cc2oc2ccc(F)cc32)c(Br)c1 ZINC000587872158 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccn1 ZINC000587872177 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(SC)ncn1 ZINC000587872487 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1scnc1C ZINC000587872493 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc2c(=O)[nH]ccc2c1 ZINC000587872537 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C)n1 ZINC000587872557 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(C2CC2)s1 ZINC000587872585 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@H](C)C1CC1 ZINC000587872736 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@@H](C)C1CC1 ZINC000587872737 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1csc(C)n1 ZINC000587872748 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCC(C)C ZINC000587872822 EH Annotated Anodyne Fc1ccc(CNC(=S)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873002 EH Annotated Anodyne CC(=O)Nc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873033 EH Annotated Anodyne COc1ccc(OC)c(C(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587873089 EH Annotated Anodyne O=C(Cc1noc2ccccc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587873122 EH Annotated Anodyne COc1ccccc1OCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873181 EH Annotated Anodyne C[C@@H](Oc1ccc(C#N)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873202 EH Annotated Mild C[C@H](Oc1ccc(C#N)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873207 EH Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(C)nc1C ZINC000587873209 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccnc1 ZINC000587873224 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)nc(SC)n1 ZINC000587873231 EH Annotated Anodyne O=C(c1cc(Br)c[nH]1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873251 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1nc(C)cs1 ZINC000587873254 EH Annotated Anodyne O=C(c1ccc(Br)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873328 EH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCC1CCC1 ZINC000587873354 EH Annotated Anodyne CC(C)n1ncc(-n2nc3cc2oc2ccc(F)cc32)c(Cl)c1=O ZINC000587873383 EH Annotated Anodyne COC(=O)c1ccc(F)c(-n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587873487 EH Annotated Anodyne COc1cccc(NCC(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587873528 EH Annotated Anodyne COc1cccc(OC)c1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873530 EH Annotated Anodyne O=C(CCn1cc(Cl)cn1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873542 EH Annotated Anodyne Cc1cc(C(F)F)nn1CC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873547 EH Annotated Anodyne Cc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)nn1C(F)F ZINC000587873558 EH Annotated Anodyne COc1ccc(NCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873588 EH Annotated Anodyne O=C(CNc1ccccc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873606 EH Annotated Anodyne O=C(c1ccc(O)c(Cl)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873622 EH Annotated Anodyne O=C(c1cc(Cl)ccc1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873648 EH Annotated Anodyne Cc1ccc(NC(=O)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873704 EH Annotated Anodyne Cc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)n(C(F)F)n1 ZINC000587873734 EH Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c(OC)c1 ZINC000587873808 EH Annotated Anodyne COc1cccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1OC ZINC000587873810 EH Annotated Anodyne COc1ccc(Cl)c(C(=O)n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587873841 EH Annotated Anodyne O=C(COc1ccccc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873848 EH Annotated Anodyne O=C(COc1ccc(F)cc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873865 EH Annotated Anodyne O=C(CNc1ccc(F)cc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873872 EH Annotated Anodyne C[C@@H](NCC(=O)n1nc2cc1oc1ccc(F)cc21)c1ccccc1 ZINC000587873907 EH Annotated Anodyne C[C@H](NCC(=O)n1nc2cc1oc1ccc(F)cc21)c1ccccc1 ZINC000587873908 EH Annotated Anodyne COc1cccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1F ZINC000587873936 EH Annotated Anodyne O=C(CCc1ccc(O)c(O)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874002 EH Annotated Clean O=C(CNc1ccc(F)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874017 EH Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1OC ZINC000587874067 EH Annotated Anodyne COc1cccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587874086 EH Annotated Anodyne O=C(COc1cc(F)ccc1F)n1nc2cc1oc1ccc(F)cc21 ZINC000587874119 EH Annotated Anodyne O=C(COc1ccc(F)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874143 EH Annotated Anodyne COc1cc(OC)cc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587874147 EH Annotated Anodyne Cc1nn(CC(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1Cl ZINC000587874159 EH Annotated Anodyne COCc1nc(Cl)cc(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587874188 EH Annotated Anodyne COc1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874194 EH Annotated Anodyne O=C(c1ccc2nccnc2c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874251 EH Annotated Anodyne N#Cc1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587874259 EH Annotated Mild COc1ccccc1NCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874266 EH Annotated Anodyne N#Cc1ccccc1OCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874268 EH Annotated Mild C[C@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1cc(Cl)cn1 ZINC000587874288 EH Annotated Anodyne C[C@@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1cc(Cl)cn1 ZINC000587874290 EH Annotated Anodyne O=C(c1ccc(Cl)cc1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874314 EH Annotated Anodyne C[C@H](Cn1cc(Cl)cn1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874320 EH Annotated Anodyne C[C@@H](Cn1cc(Cl)cn1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874321 EH Annotated Anodyne CCCn1cc(Cl)c(C(=O)n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587874340 EH Annotated Anodyne COC(=O)c1cnc(Cl)cc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587874360 EH Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nnc(C(F)(F)F)s3)c2c1 ZINC000587874366 EH Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1Cl ZINC000587874384 EH Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1Cl ZINC000587874385 EH Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nccc(-c4cccnc4)n3)c2c1 ZINC000587874431 EH Annotated Anodyne Cc1c(C(=O)n2nc3cc2oc2ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000587874438 EH Annotated Bother O=C(Cc1ccc([N+](=O)[O-])cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874458 EH Annotated Bother O=C(Nc1ccc2c(c1)OCO2)n1nc2cc1oc1ccc(F)cc21 ZINC000587874469 EH Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874562 EH Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874572 EH Annotated Bother Nc1ccc2oc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2c1 ZINC000587874580 EH Annotated Anodyne COc1ccc(Cn2nc3cc2oc2ccc(F)cc32)cc1OC ZINC000587874665 EH Annotated Anodyne Cc1nc2ccccc2n1CC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874698 EH Annotated Anodyne Cn1c(CC(=O)n2nc3cc2oc2ccc(F)cc32)nc2ccccc21 ZINC000587874736 EH Annotated Anodyne O=C(Cc1nc2ccccc2[nH]1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874740 EH Annotated Anodyne CC(C)(C)c1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)[nH]n1 ZINC000587874794 EH Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ccc(Cn4cncn4)cc3)c2c1 ZINC000587874839 EH Annotated Anodyne Cc1n[nH]c(C)c1CCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874907 EH Annotated Anodyne O=C(c1cc(-c2ccco2)on1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874945 EH Annotated Anodyne Cc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1[N+](=O)[O-] ZINC000587875020 EH Annotated Bother CC(C)(C)c1ocnc1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875079 EH Annotated Anodyne Cn1c(-c2ccccc2)nnc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587875083 EH Annotated Anodyne O=C(c1cccc([N+](=O)[O-])c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875144 EH Annotated Bother CC1CCN(C[C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)CC1 ZINC000587875331 EH Annotated Anodyne CC1CCN(C[C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)CC1 ZINC000587875350 EH Annotated Anodyne O=C(c1nc(-c2ccccc2)no1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875461 EH Annotated Anodyne CCN(CC)c1ccnc(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587875491 EH Annotated Anodyne O=C(c1cncn1-c1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875547 EH Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nncc(-c4ccccc4)n3)c2c1 ZINC000587875600 EH Annotated Anodyne O=C(Nc1ccc(CCO)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875656 EH Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nnc(-c4ccccn4)s3)c2c1 ZINC000587875695 EH Annotated Anodyne Cn1c(=O)cc(-n2nc3cc2oc2ccc(F)cc32)c2ccccc21 ZINC000587875716 EH Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)NCc3ccccc3)c2c1 ZINC000587875732 EH Annotated Anodyne O=C(c1cc(-c2ccco2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875764 EH Annotated Anodyne Cc1cc(C)n(-c2ccc(-n3nc4cc3oc3ccc(F)cc43)nn2)n1 ZINC000587875818 EH Annotated Anodyne CCOC(=O)c1sc(-n2nc3cc2oc2ccc(F)cc32)nc1C ZINC000587875833 EH Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nn4cnnc4c4ccccc34)c2c1 ZINC000587875835 EH Annotated Anodyne O=C(CSc1ccccn1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875859 EH Annotated Anodyne O=C(Cn1cnc2ccccc21)n1nc2cc1oc1ccc(F)cc21 ZINC000587875932 EH Annotated Anodyne O=C(c1ccccc1[N+](=O)[O-])n1nc2cc1oc1ccc(F)cc21 ZINC000587875933 EH Annotated Bother Cc1nnc(-n2nc3cc2oc2ccc(F)cc32)n1-c1ccccc1 ZINC000587875947 EH Annotated Anodyne COc1ccc(-n2nc3cc2oc2ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000587875957 EH Annotated Bother O=[N+]([O-])c1ccc2nc(-n3nc4cc3oc3ccc(F)cc43)[nH]c2c1 ZINC000587876080 EH Annotated Bother O=C(c1nnc(-c2ccccc2)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876088 EH Annotated Anodyne O=[N+]([O-])c1ccc(-n2nc3cc2oc2ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000587876114 EH Annotated Bother COC(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)c(OC)c1 ZINC000587876132 EH Annotated Anodyne O=C(O)c1ccc(NC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876139 EH Annotated Anodyne O=C(NCCc1cccs1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876142 EH Annotated Anodyne O=C(Cc1ccccc1[N+](=O)[O-])n1nc2cc1oc1ccc(F)cc21 ZINC000587876143 EH Annotated Bother Cc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000587876155 EH Annotated Bother O=C(CCN1CCCCCC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876176 EH Annotated Anodyne Cc1cccc2nc(C(=O)n3nc4cc3oc3ccc(F)cc43)cn12 ZINC000587876238 EH Annotated Anodyne CCn1c(-n2nc3cc2oc2ccc(F)cc32)nc2ccccc2c1=O ZINC000587876264 EH Annotated Anodyne C[C@H](CN1CCCCC1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876273 EH Annotated Anodyne C[C@@H](CN1CCCCC1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876274 EH Annotated Anodyne Cc1nc2sccn2c1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876629 EH Annotated Anodyne Nc1c(C(=O)n2nc3cc2oc2ccc(F)cc32)[nH]c2ccccc12 ZINC000587876638 EH Annotated Anodyne O=C(c1cnn(-c2ccccc2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876671 EH Annotated Anodyne Cc1ccn2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)nc2c1 ZINC000587876710 EH Annotated Anodyne CSc1ncccc1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876833 EH Annotated Anodyne CCc1nc(C)c(C(=O)n2nc3cc2oc2ccc(F)cc32)s1 ZINC000587876859 EH Annotated Anodyne CSc1nsc(-n2nc3cc2oc2ccc(F)cc32)c1C#N ZINC000587876885 EH Annotated Mild Cc1nc2ccccn2c1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587877010 EH Annotated Anodyne O=C([C@@H]1CCN1Cc1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877019 EH Annotated Anodyne O=C([C@H]1CCN1Cc1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877021 EH Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)NCCc3ccccc3)c2c1 ZINC000587877053 EH Annotated Anodyne CC(C)(C)OC(=O)N1CC(n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587877062 EH Annotated Anodyne COc1ccc(NC(=S)n2nc3cc2oc2ccc(F)cc32)cn1 ZINC000587877073 EH Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)NCCc3cccs3)c2c1 ZINC000587877124 EH Annotated Anodyne O=C(Cc1cn2ccsc2n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877152 EH Annotated Anodyne N#Cc1sccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896369 EH Annotated Mild COc1ccc([N+](=O)[O-])c(CC#Cc2cc(Cl)ccc2OC)c1 ZINC000587897989 EH Annotated Mild COc1ccc(Cl)cc1C#CCc1cnn(C(=O)OC(C)(C)C)c1 ZINC000587898181 EH Annotated Mild CCOC(=O)c1cccc(CC#Cc2cc(Cl)ccc2OC)n1 ZINC000587898249 EH Annotated Mild COc1ccc(Cl)cc1C#CCc1cccc(N2CCCC2)n1 ZINC000587898575 EH Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc2c(c1)CCC(=O)N2C ZINC000587898744 EH Annotated Mild COC(=O)c1ccc(C#N)c(CC#Cc2cc(Cl)ccc2OC)c1 ZINC000587898859 EH Annotated Mild COC(=O)c1ccc(CC#Cc2cc(Cl)ccc2OC)cc1OC ZINC000587898863 EH Annotated Mild COc1ccc(CC#Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000587899024 EH Annotated Mild C=C1NC(=O)c2cc(CC#Cc3cc(Cl)ccc3OC)ccc2N1 ZINC000587899138 EH Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c(C=O)c(OC)c1 ZINC000587899315 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c(OC)c1C#N ZINC000587899401 EH Annotated Mild CCCOc1cc(N)c(N)cc1C#Cc1cc(Cl)ccc1OC ZINC000587899556 EH Annotated Mild COc1ccc(Cl)cc1C#C/C=C1/Nc2ccccc2N(C)C1=O ZINC000587899567 EH Annotated Mild COc1ccc(Cl)cc1C#C/C=C1\Nc2ccccc2N(C)C1=O ZINC000587899573 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])c(C=O)c1C ZINC000587899575 EH Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(Br)no1 ZINC000587899682 EH Annotated Mild CCOc1c(C#Cc2cc(Cl)ccc2OC)cc(C=O)cc1OC ZINC000587899715 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CBr)on1 ZINC000587899735 EH Annotated Reactive CNc1c(C#Cc2cc(Cl)ccc2OC)cc(C#N)cc1[N+](=O)[O-] ZINC000587899778 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000587899882 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N)c([N+](=O)[O-])c1Cl ZINC000587899942 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)ccc1-n1cccn1 ZINC000587899977 EH Annotated Mild CCOc1cc(C=O)cc(C#Cc2cc(Cl)ccc2OC)c1OC ZINC000587900065 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C#N)cc(OC)c1OC ZINC000587900165 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C)c1OC ZINC000587900224 EH Annotated Mild CCOC(=O)c1ccc(C#N)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587900306 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c(N)cc1OC(C)C ZINC000587900318 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(Cl)c1N ZINC000587900348 EH Annotated Mild COc1ccc(Cl)cc1C#CCc1nn(-c2ccccc2)nc1C ZINC000587900443 EH Annotated Mild COc1ccc(Cl)cc1C#CCc1cn(Cc2ccccc2)nn1 ZINC000587900533 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC000587900537 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)ccc1-n1ccnc1 ZINC000587900543 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)c(OC)cc1OC ZINC000587900596 EH Annotated Mild CCOc1cc(NC)c(N)cc1C#Cc1cc(Cl)ccc1OC ZINC000587900666 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(OC)cc1C ZINC000587900685 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)ccc([N+](=O)[O-])c1C#N ZINC000587900758 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c(C)cc([N+](=O)[O-])c1N ZINC000587900760 EH Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(-c2cnn(C)c2C)no1 ZINC000587900848 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)cc(C(=O)O)cc1[N+](=O)[O-] ZINC000587900964 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC)c([N+](=O)[O-])cc1C ZINC000587901023 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)cc(C=O)cc1OC ZINC000587901305 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1cc(N)n(C)n1 ZINC000587901548 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc(OC)c(C#N)c1C ZINC000587902234 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCCC2)c(N)c1 ZINC000587902489 EH Annotated Mild CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C(=O)Cl ZINC000587902691 EH Annotated Reactive COc1ccc(Cl)cc1C#Cc1c[nH]c(=N)nc1-c1ccccc1 ZINC000587902753 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)cnc1N1CCCCC1 ZINC000587902953 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(-c2ccccc2)c1N ZINC000587903012 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1N1CCCC1=O ZINC000587903101 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1Cl)C(=O)C(=O)N2 ZINC000587903142 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cnc1NC1CC1 ZINC000587903200 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc2c(c1C)CCN2C ZINC000587903206 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC000587903281 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Cl)nc1N1CCCC1 ZINC000587903416 EH Annotated Mild CCN(CC)c1ncc(N)cc1C#Cc1cc(Cl)ccc1OC ZINC000587903515 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000587903549 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cnc1C#N ZINC000587903735 EH Annotated Mild CCOCCCNc1ncccc1C#Cc1cc(Cl)ccc1OC ZINC000587903798 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2ccccc2)n[nH]c1=N ZINC000587903804 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(OC)c([N+](=O)[O-])c1 ZINC000587904003 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(-c2nnc3n2CCC3)c1 ZINC000587905058 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc3n2CCC3)cc1 ZINC000587906402 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2OCCN[C@@H]2C)cc1 ZINC000587906462 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2OCCN[C@H]2C)cc1 ZINC000587906463 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2OCCN[C@@H]2C)cc1 ZINC000587906464 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2OCCN[C@H]2C)cc1 ZINC000587906465 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C2=C(C#N)C(=O)OC2)cc1 ZINC000587906780 EH Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(=N)cc[nH]2)cc1 ZINC000587906861 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1OC)NC(=O)CC2 ZINC000587906996 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@@H](C)O)c2ocnc2c1 ZINC000587907065 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@H](C)O)c2ocnc2c1 ZINC000587907067 EH Annotated Mild CCn1c(=N)[nH]c2cc(C#Cc3cc(Cl)ccc3OC)ccc21 ZINC000587907073 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c2nc(C)n(C)c2c1 ZINC000587907111 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c([N+](=O)[O-])c1O)CCC2 ZINC000587907131 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c2oc(=N)[nH]c2c1 ZINC000587907175 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc([C@@H](C)O)[nH]c2c1 ZINC000587907182 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc([C@H](C)O)[nH]c2c1 ZINC000587907183 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(C)=O)c2oc(=N)[nH]c2c1 ZINC000587907187 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c([N+](=O)[O-])c1)NCC2 ZINC000587907366 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])C(=O)CC2 ZINC000587907430 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c([C@@H](C)O)c1)OCC2 ZINC000587907442 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c([C@H](C)O)c1)OCC2 ZINC000587907443 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Cl)NC(=O)C2=O ZINC000587907447 EH Annotated Mild CCn1c(=N)[nH]c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587907469 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c2nn(C)cc2c1 ZINC000587907692 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Cl)NC(=O)CO2 ZINC000587907702 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(C#N)c(=N)[nH]cc2c1 ZINC000587907718 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]c3c(c2c1)CNCC3 ZINC000587907751 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(NC2CCCC2)nc1 ZINC000587907817 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2oc(=N)[nH]c2cc1Cl ZINC000587907909 EH Annotated Mild CCn1c(CN)nc2cc(C#Cc3cc(Cl)ccc3OC)ccc21 ZINC000587907972 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cncc(Br)c1C#N ZINC000587908012 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c2c[nH]nc2c1 ZINC000587908020 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(NCc2ccco2)nc1 ZINC000587908064 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)O[C@H](C)C(=O)N2 ZINC000587908169 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)O[C@@H](C)C(=O)N2 ZINC000587908170 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000587908211 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(=O)c(C=O)coc2c1 ZINC000587908228 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCCCC2)nc1 ZINC000587908245 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1OC)C(=O)CC2 ZINC000587908339 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c2c(c1)C(=O)C(=O)N2 ZINC000587908353 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCCCCC2)nc1 ZINC000587908380 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2[nH]cc(C#N)c(=O)c2c1 ZINC000587908564 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2occ(C=O)c(=O)c2c1 ZINC000587908588 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@@H](O)CCCO2 ZINC000587908603 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)[C@H](O)CCCO2 ZINC000587908604 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c2c(cnn2C)c1 ZINC000587908606 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(Cl)[nH]c(=N)c2c1 ZINC000587908645 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(O)c(C#N)cc2c1 ZINC000587908706 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N=CN(C)C)c(C)c1 ZINC000587908728 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccccc2C#N)c1 ZINC000587908824 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(N)c(C#N)cc2c1 ZINC000587909039 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C)nc1-c1cccc(N)c1 ZINC000587909046 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2occ(C#N)c(=O)c2c1 ZINC000587909074 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCCCC2)c(N)c1 ZINC000587909208 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(NC2CC2)c([N+](=O)[O-])c1 ZINC000587909219 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(NC(C)C)c([N+](=O)[O-])c1 ZINC000587909274 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2oc(=N)c(C#N)cc2c1 ZINC000587909362 EH Annotated Mild CCNc1c(C#Cc2cc(Cl)ccc2OC)cnc(Cl)c1N ZINC000587909642 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(C=O)cc2)c1 ZINC000587909644 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(CCl)nc2c1 ZINC000587909856 EH Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(CC#N)cc2c1OCCO2 ZINC000587909895 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1CCC2=O ZINC000587909977 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(Cl)nc2c1C ZINC000587910173 EH Annotated Mild CCn1ncc(-c2n[nH]cc2C#Cc2cc(Cl)ccc2OC)c1C ZINC000587910284 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1C(=O)CC2 ZINC000587910374 EH Annotated Mild COCCCNc1cccc(C#Cc2cc(Cl)ccc2OC)n1 ZINC000587910426 EH Annotated Mild COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)nc1Cl ZINC000587910445 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)ccc1O ZINC000587910474 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)nc(C)n1 ZINC000587910606 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(O)ccc1Br ZINC000587910616 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O)c(Br)n1 ZINC000587910670 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c(O)n1 ZINC000587910738 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O)nc1Br ZINC000587910824 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(O)cc(Br)n1 ZINC000587910873 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc2c1NCC2 ZINC000587910947 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2[nH]cc(CCO)c12 ZINC000587910986 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c([N+](=O)[O-])ccc2n[nH]cc12 ZINC000587911069 EH Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c2c(c1)NCCO2 ZINC000587911093 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1CCC21OCCO1 ZINC000587911103 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2nc(Cl)[nH]c(=N)c12 ZINC000587911108 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc2c1OCCCO2 ZINC000587911131 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(C)nn1C ZINC000587911181 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(Cl)ncnc2n1C ZINC000587911208 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)n(C)c1C ZINC000587911235 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)ccc2c1C(=O)CC2 ZINC000587911244 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(C)c2c[nH]nc12 ZINC000587911342 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)ccc2c1CCC2=O ZINC000587911347 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C)c2ncnc(Cl)c12 ZINC000587911355 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc2c1NC(=O)C2=O ZINC000587911360 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O)c2nc(C=O)ccc12 ZINC000587911380 EH Annotated Mild C=C1Nc2cccc(C#Cc3cc(Cl)ccc3OC)c2N(C)C1=O ZINC000587911390 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc2n[nH]cc12 ZINC000587911420 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c(=N)[nH]c(Cl)nc12 ZINC000587911438 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc(Br)n1C ZINC000587911442 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc2[nH]c(=N)oc12 ZINC000587911452 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CC#N)cc2c1OCO2 ZINC000587911544 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c2ccc([N+](=O)[O-])cc2nn1C ZINC000587911553 EH Annotated Mild CC[C@H]1Cc2c(C#Cc3cc(Cl)ccc3OC)cccc2C(=O)N1 ZINC000587911559 EH Annotated Mild CC[C@@H]1Cc2c(C#Cc3cc(Cl)ccc3OC)cccc2C(=O)N1 ZINC000587911560 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)nc(C)n1C ZINC000587911567 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc2cnn(C)c12 ZINC000587911715 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c(=N)c(C#N)c[nH]c12 ZINC000587911730 EH Annotated Mild COC(=O)c1cc2oc(C)c(C#Cc3cc(Cl)ccc3OC)c2[nH]1 ZINC000587911732 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(C)c1Br ZINC000587911753 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N(C)C)c2cccnc12 ZINC000587911764 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C)n(C)c1Br ZINC000587911796 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)oc2cc(C(=O)O)[nH]c12 ZINC000587911819 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc2nc(O)[nH]c12 ZINC000587911868 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)oc2cc(C(=O)O)n(C)c12 ZINC000587911890 EH Annotated Mild CCn1cnc2cc(C#N)cc(C#Cc3cc(Cl)ccc3OC)c21 ZINC000587911918 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(Cl)cc(C#N)cn12 ZINC000587912021 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]c(Br)nc1C ZINC000587912054 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1oc(C=O)cc1Br ZINC000587912170 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]c(C=O)cc1Br ZINC000587912189 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cn2c(C=O)cnc12 ZINC000587912225 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C)[nH]c1Br ZINC000587912254 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccn2c(CCl)nnc2c1 ZINC000587912293 EH Annotated Reactive COc1ccc([C@@H]2C=C(C#Cc3cc(Cl)ccc3OC)NO2)cc1 ZINC000587912360 EH Annotated Mild COc1ccc([C@H]2C=C(C#Cc3cc(Cl)ccc3OC)NO2)cc1 ZINC000587912363 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cn2c([N+](=O)[O-])cnc12 ZINC000587912494 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]nc2c([N+](=O)[O-])cccc12 ZINC000587912500 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c2nc(C)c(C)n2c1 ZINC000587912503 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N2CCCC2)o1 ZINC000587912524 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]cc(C=O)c1Br ZINC000587912680 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)oc1Br ZINC000587912713 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N2CCCCC2)o1 ZINC000587912715 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C=O)c[nH]c1Br ZINC000587912729 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccn2nc(C(C)C)nc2c1 ZINC000587912800 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)[nH]c1Br ZINC000587912822 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc2c(Cl)nccn12 ZINC000587912857 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)n(CC(F)(F)F)n1 ZINC000587912929 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(Br)cc1O ZINC000587912938 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc(Br)c1C#N ZINC000587912958 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(CCC(F)(F)F)c1 ZINC000587913012 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nnc(C(C)C)n2c1 ZINC000587913062 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2nc3ccccc3n2c1 ZINC000587913097 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cn2c([N+](=O)[O-])cnc2cc1C ZINC000587913100 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC)c2c(n1)CCCN2 ZINC000587913109 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]nc2ccc([N+](=O)[O-])cc12 ZINC000587913139 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C)c2c([N+](=O)[O-])cccc12 ZINC000587913190 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nccc(Br)c1C#N ZINC000587913285 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1n[nH]c2cccc([N+](=O)[O-])c12 ZINC000587913297 EH Annotated Mild CCOCCOc1ccc(C#Cc2cc(Cl)ccc2OC)nc1 ZINC000587913314 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C)c2cc([N+](=O)[O-])ccc12 ZINC000587913392 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N(C)C)c2c(n1)CCCN2 ZINC000587913432 EH Annotated Mild COCCCOc1ccc(C#Cc2cc(Cl)ccc2OC)nc1 ZINC000587913540 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]nc2cc(C)c([N+](=O)[O-])cc12 ZINC000587913566 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(=N)[nH]c1C(F)(F)F ZINC000587914374 EH Annotated Mild COc1cc(C(F)F)c(N)c(C#Cc2cc(Cl)ccc2OC)n1 ZINC000587914385 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(=N)[nH]c1C(F)(F)F ZINC000587914503 EH Annotated Mild CCn1ncc(C#Cc2cc(Cl)ccc2OC)c1C(F)(F)F ZINC000587914526 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)nc(C(F)(F)F)n1 ZINC000587914528 EH Annotated Mild CCn1cc(C#Cc2cc(Cl)ccc2OC)c(C(F)(F)F)n1 ZINC000587914556 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C(F)(F)F)ccc1C=O ZINC000587914574 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccn2c(C(F)F)nnc12 ZINC000587914589 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c([N+](=O)[O-])c(CC#N)c1 ZINC000587914703 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c(F)c(C#N)c1N ZINC000587914853 EH Annotated Mild COc1cc(CC#Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])cc1F ZINC000587914862 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(N)c(F)c1F ZINC000587914929 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)c(F)c(NN)c(F)c1F ZINC000587914935 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(N)c(C)c1F ZINC000587914949 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(C=O)cc1[N+](=O)[O-] ZINC000587914971 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)nn(C)c1C ZINC000587915022 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C(F)(F)F)ccc1O ZINC000587915084 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1N)OC(F)(F)O2 ZINC000587915097 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)nc1N ZINC000587915117 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c(C)cc([N+](=O)[O-])c1F ZINC000587915191 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c([N+](=O)[O-])cc(F)c1F ZINC000587915355 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)c([N+](=O)[O-])cc1F ZINC000587915415 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(F)c1OC ZINC000587915500 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nnc(C(F)F)n2c1 ZINC000587915513 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C(F)(F)F)ccc1N ZINC000587915531 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)c(C2OCCO2)c1 ZINC000587915595 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)ccc([N+](=O)[O-])c1OC ZINC000587915634 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)c(F)c(N)c(F)c1F ZINC000587915638 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000587915816 EH Annotated Mild CNc1cc(C#Cc2cc(Cl)ccc2OC)cc(F)c1[N+](=O)[O-] ZINC000587915870 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c(N)c(C#N)c1F ZINC000587915974 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc(N2CCOCC2)c1 ZINC000587916020 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc2c1O[C@@H](C)C(=O)N2 ZINC000587916192 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc2c1O[C@H](C)C(=O)N2 ZINC000587916193 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(F)cc2N)c1 ZINC000587916371 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@@H]2CNCCO2)ccc1F ZINC000587916396 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@H]2CNCCO2)ccc1F ZINC000587916400 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(=N)[nH][nH]2)c(F)c1 ZINC000587916485 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc(OC[C@H]2CO2)c1 ZINC000587916588 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc(OC[C@@H]2CO2)c1 ZINC000587916590 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(N)cc2F)c1 ZINC000587916634 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc(-c2cc(=N)[nH][nH]2)c1 ZINC000587916755 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc([N+](=O)[O-])c1OC ZINC000587916831 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)c2cc(=N)[nH]cc12 ZINC000587917122 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2[nH]c(=N)sc2c1 ZINC000587917466 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2sc(=N)[nH]c2cc1F ZINC000587917558 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2ncnc(O)c2c1 ZINC000587917589 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc2sc(=N)[nH]c12 ZINC000587917677 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nc(O)[nH]c2c(F)c1F ZINC000587917807 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCCC2)nc1F ZINC000587917859 EH Annotated Mild COc1ccc2ncc(F)c(C#Cc3cc(Cl)ccc3OC)c2n1 ZINC000587917863 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)c2c(=O)cc[nH]c12 ZINC000587917865 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2c(c1)C(=O)CCO2 ZINC000587917876 EH Annotated Mild CCn1nnc2cc(C#Cc3cc(Cl)ccc3OC)c(F)cc21 ZINC000587917939 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1n[nH]c2c([N+](=O)[O-])ccc(F)c12 ZINC000587917994 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)s1 ZINC000587918333 EH Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc2nc(S)[nH]c2nc1C ZINC000587918617 EH Annotated Mild COCCNCc1sccc1C#Cc1cc(Cl)ccc1OC ZINC000587918692 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(/C=C(/C#N)C(=O)O)c1 ZINC000587918711 EH Annotated Reactive COc1ccc(Cl)cc1C#Cc1csc(/C=C(\C#N)C(=O)O)c1 ZINC000587918712 EH Annotated Reactive COC(=O)c1sc(C)c(C#Cc2cc(Cl)ccc2OC)c1O ZINC000587918767 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)sc(C(=O)O)c1OC ZINC000587918795 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccsc1-c1cc[nH]c(=N)n1 ZINC000587918898 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(Cn2nccc2N)c1 ZINC000587918900 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nnc(SC)n2c1 ZINC000587918995 EH Annotated Mild COC(=O)c1scc(C#Cc2cc(Cl)ccc2OC)c1OC ZINC000587919005 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1nc(S)n2C ZINC000587919053 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1nc(S)n[nH]1 ZINC000587919059 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(SC)nc1Cl ZINC000587919337 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2cnc(SC)nn12 ZINC000587919489 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(SC)nc1SC ZINC000587919492 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(SC)nccn12 ZINC000587919760 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cn2ccnc2c(SC)n1 ZINC000587919807 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)sc2c(=N)[nH]c(C)nc12 ZINC000587920170 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2cc(C(=O)O)[nH]c2s1 ZINC000587920188 EH Annotated Mild CCOC(=O)C(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587920253 EH Annotated Mild CN=c1[nH]c2ccc(C#Cc3cc(Cl)ccc3OC)cc2s1 ZINC000587920401 EH Annotated Mild COC(=O)c1sc(Cl)nc1C#Cc1cc(Cl)ccc1OC ZINC000587920473 EH Annotated Mild C=C1NC(=O)c2sc(C)c(C#Cc3cc(Cl)ccc3OC)c2N1 ZINC000587920499 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(=N)[nH]n2)s1 ZINC000587920554 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)NC(C)C)s1 ZINC000587920618 EH Annotated Mild C=CCNC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587920623 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(N)n(C)n2)s1 ZINC000587920676 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(Br)n1 ZINC000587920970 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cc[nH]c(=N)n2)s1 ZINC000587921012 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C=O)c2nsnc12 ZINC000587921089 EH Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c2[nH]c(=N)sc2c1 ZINC000587921101 EH Annotated Mild CCCNC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587921115 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Cn2nccc2N)s1 ZINC000587921132 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1n[nH]c(=N)s1 ZINC000587921155 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ncc(N)cn2)s1 ZINC000587921156 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Br)s1 ZINC000587921162 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H](O)[C@@H]2CCOC2)s1 ZINC000587921192 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H](O)[C@@H]2CCOC2)s1 ZINC000587921193 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H](O)[C@H]2CCOC2)s1 ZINC000587921194 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H](O)[C@H]2CCOC2)s1 ZINC000587921195 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(-c2csc(=N)[nH]2)n1 ZINC000587921211 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(=N)[nH][nH]2)s1 ZINC000587921262 EH Annotated Mild COc1ncc2scc(C#Cc3cc(Cl)ccc3OC)c2n1 ZINC000587921332 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nnsc2N)cc1 ZINC000587921354 EH Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2sc(NN)nc12 ZINC000587921458 EH Annotated Mild COc1cc(N)c(-c2nc(-c3ccc(C#N)cc3)cs2)cc1OC ZINC000587921549 EH Annotated Mild N#Cc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 ZINC000587921689 EH Annotated Mild CC(C)(C)OC(=O)NCCc1nc(-c2ccc(C#N)cc2)cs1 ZINC000587921701 EH Annotated Mild NC(=O)/C(=C\c1ccccc1O)c1nc(-c2ccc(F)cc2)cs1 ZINC000587921878 EH Annotated Anodyne NC(=O)/C(=C/c1ccccc1O)c1nc(-c2ccc(F)cc2)cs1 ZINC000587921879 EH Annotated Anodyne Fc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1F ZINC000587921938 EH Annotated Anodyne C/C=C1\NNC(=O)C(c2nc(-c3cc(F)ccc3F)cs2)=C1CC ZINC000587922001 EH Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3cc(F)ccc3F)cs2)=C1CC ZINC000587922002 EH Annotated Anodyne C/C=C1\NNC(=O)C(c2nc(-c3ccc(F)c(F)c3)cs2)=C1CC ZINC000587922088 EH Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3ccc(F)c(F)c3)cs2)=C1CC ZINC000587922089 EH Annotated Anodyne Fc1ccc(F)c(-c2csc(-c3ccnc(-n4cncn4)c3)n2)c1 ZINC000587922101 EH Annotated Anodyne CNC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922151 EH Annotated Clean Fc1ccc(F)c(-c2csc(Cc3nnc4n3CCCCC4)n2)c1 ZINC000587922436 EH Annotated Anodyne Fc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1F ZINC000587922755 EH Annotated Anodyne C/C=C1\NNC(=O)C(c2nc(-c3ccc(F)cc3)cs2)=C1CC ZINC000587923114 EH Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3ccc(F)cc3)cs2)=C1CC ZINC000587923115 EH Annotated Anodyne Cc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cn1 ZINC000587924265 EH Annotated Anodyne COc1cc(C)ccc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587924675 EH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(C)cc3OC)nc2c1 ZINC000587924681 EH Annotated Anodyne COc1ccc(CCCc2nc3cc4cn[nH]c4cc3[nH]2)cc1OC ZINC000587924753 EH Annotated Anodyne COc1cc(C)ccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587924975 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000587925094 EH Annotated Bother COc1ccc(C[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000587925099 EH Annotated Bother COc1ccc(C[C@@H](C)c2nc3c(C)nc(C)cc3[nH]2)cc1OC ZINC000587925137 EH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3c(C)nc(C)cc3[nH]2)cc1OC ZINC000587925138 EH Annotated Anodyne COc1ccc(CCCc2nc3c(Cl)ccnc3[nH]2)cc1OC ZINC000587925190 EH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cncc(Cl)c3[nH]2)cc1OC ZINC000587925229 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cncc(Cl)c3[nH]2)cc1OC ZINC000587925230 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc4cn[nH]c4cc3[nH]2)cc1OC ZINC000587925257 EH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc4cn[nH]c4cc3[nH]2)cc1OC ZINC000587925260 EH Annotated Anodyne COc1cc(C2(c3nc4cc(Cl)nc(C#N)c4[nH]3)CC2)ccc1C ZINC000587925264 EH Annotated Mild O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccccc3Cl)c2O)c1 ZINC000587925322 EH Annotated Anodyne COc1ccc(CCCc2nc3c(C)nc(C)cc3[nH]2)cc1OC ZINC000587925373 EH Annotated Anodyne O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)c1 ZINC000587925441 EH Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1OC ZINC000587925489 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587925502 EH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587925503 EH Annotated Anodyne COc1cc(C2(c3nc4cc(C(=O)O)c(F)cc4[nH]3)CC2)ccc1C ZINC000587925629 EH Annotated Anodyne COc1ccc(CCCc2nc3cncc(Cl)c3[nH]2)cc1OC ZINC000587925669 EH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3c(Cl)ccnc3[nH]2)cc1OC ZINC000587925695 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3c(Cl)ccnc3[nH]2)cc1OC ZINC000587925696 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1OC ZINC000587925811 EH Annotated Mild COc1ccc(C[C@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1OC ZINC000587925813 EH Annotated Mild COc1ccc(CCCc2nc3c(F)cnc(Cl)c3[nH]2)cc1OC ZINC000587925861 EH Annotated Anodyne COC(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 ZINC000587925953 EH Annotated Anodyne COc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1C ZINC000587926009 EH Annotated Anodyne CC(C)c1cc(OC(C)(C)C)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587926034 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587926072 EH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587926080 EH Annotated Anodyne COc1cc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2cc1F ZINC000587926208 EH Annotated Anodyne COc1ccc(CCCc2nc3ccnc(Cl)c3[nH]2)cc1OC ZINC000587926234 EH Annotated Anodyne COc1ccc(CCCc2nc3cc(Cl)ncc3[nH]2)cc1OC ZINC000587926245 EH Annotated Anodyne COc1ccc(CCCc2nc3cccc(OC)c3[nH]2)cc1OC ZINC000587926321 EH Annotated Anodyne COc1cc(OC)c2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc2c1 ZINC000587926383 EH Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC ZINC000587926513 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1OC ZINC000587926636 EH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1OC ZINC000587926637 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587926674 EH Annotated Mild CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587926680 EH Annotated Mild COc1cc(-c2ccccc2)c(OC)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587926788 EH Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1OC ZINC000587926797 EH Annotated Anodyne O=C(O)c1cc(O)cc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c1 ZINC000587926806 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cccc(OC)c3[nH]2)cc1OC ZINC000587926979 EH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cccc(OC)c3[nH]2)cc1OC ZINC000587926981 EH Annotated Anodyne COc1cc(C2(c3nc4cc(C#N)c(C#N)cc4[nH]3)CC2)ccc1C ZINC000587927052 EH Annotated Mild COc1cc(C2(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CC2)ccc1C ZINC000587927078 EH Annotated Anodyne COc1ccc(Cc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1OC ZINC000587927081 EH Annotated Mild COc1ccc(C[C@H](C)c2nc3cc(Cl)ncc3[nH]2)cc1OC ZINC000587927087 EH Annotated Anodyne COc1cc(C2(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CC2)ccc1C ZINC000587927088 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(Cl)ncc3[nH]2)cc1OC ZINC000587927089 EH Annotated Anodyne COc1cc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)ccc1C ZINC000587927145 EH Annotated Anodyne COc1cc(C2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CC2)ccc1C ZINC000587927170 EH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587927394 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587927395 EH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(Cl)nc3[nH]2)cc1OC ZINC000587927414 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(Cl)nc3[nH]2)cc1OC ZINC000587927415 EH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccnc(Cl)c3[nH]2)cc1OC ZINC000587927416 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccnc(Cl)c3[nH]2)cc1OC ZINC000587927418 EH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587927419 EH Annotated Bother COc1ccc(C[C@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587927421 EH Annotated Bother COc1ccc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1OC ZINC000587927444 EH Annotated Anodyne COc1cc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2cc1Cl ZINC000587927447 EH Annotated Anodyne COc1cc(C2(c3nc4ccc(C(=O)N(C)C)cc4[nH]3)CC2)ccc1C ZINC000587927570 EH Annotated Anodyne COC(=O)c1cccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c12 ZINC000587927607 EH Annotated Anodyne COc1cc(C2(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CC2)ccc1C ZINC000587927631 EH Annotated Anodyne COc1cc(C2(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CC2)ccc1C ZINC000587927645 EH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cncc(OC)c2[nH]1 ZINC000587927669 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cncc(OC)c2[nH]1 ZINC000587927670 EH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587927857 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587927861 EH Annotated Anodyne COc1ccc(CCCc2nc3ccc(Cl)nc3[nH]2)cc1OC ZINC000587927895 EH Annotated Anodyne COc1cc(C2(c3nc4cc(OC)c(OC)cc4[nH]3)CC2)ccc1C ZINC000587928066 EH Annotated Anodyne COc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC ZINC000587928075 EH Annotated Bother COc1cc(C2(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CC2)ccc1C ZINC000587928078 EH Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc4ncccc4c3[nH]2)c1OC ZINC000587928160 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587928186 EH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587928188 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000587928236 EH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000587928237 EH Annotated Anodyne COc1ccc(OC)c(-c2nc3cnc4ccccc4c3[nH]2)c1OC ZINC000587928255 EH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)ncc2[nH]1 ZINC000587928260 EH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)ncc2[nH]1 ZINC000587928261 EH Annotated Anodyne COc1ccc(CCCc2nc3c(F)cnc(Cl)c3[nH]2)c(OC)c1 ZINC000587928267 EH Annotated Anodyne COc1ccc(CCCc2nc3cc(Cl)ncc3[nH]2)c(OC)c1 ZINC000587928283 EH Annotated Anodyne COc1ccc(CCCc2nc3cncc(Cl)c3[nH]2)c(OC)c1 ZINC000587928348 EH Annotated Anodyne COc1ccc(CCCc2nc3ccc(Cl)nc3[nH]2)c(OC)c1 ZINC000587928367 EH Annotated Anodyne COC(=O)c1cccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c12 ZINC000587928721 EH Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c12 ZINC000587928722 EH Annotated Anodyne COC(=O)c1cccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c12 ZINC000587928723 EH Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c12 ZINC000587928724 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587928745 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587928746 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587928747 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587928748 EH Annotated Anodyne COc1ccc(CCCc2nc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c1 ZINC000587928768 EH Annotated Bother COc1ccccc1CC(=O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587928824 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Cl)ncc(Cl)c2[nH]1 ZINC000587928877 EH Annotated Anodyne COc1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cc1Cl ZINC000587928887 EH Annotated Anodyne COc1ccc(CCCc2nc3cccc(OC)c3[nH]2)c(OC)c1 ZINC000587928894 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 ZINC000587928938 EH Annotated Bother COc1ccc(CCCc2nc3c(Cl)ccnc3[nH]2)c(OC)c1 ZINC000587929073 EH Annotated Anodyne COc1ccc(CCCc2nc3cc4cn[nH]c4cc3[nH]2)c(OC)c1 ZINC000587929097 EH Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ncc[nH]c-4n3)c2C)c(OC)c1 ZINC000587929282 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 ZINC000587929396 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 ZINC000587929397 EH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 ZINC000587929398 EH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 ZINC000587929399 EH Annotated Anodyne COc1cccc(Cc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587929431 EH Annotated Anodyne COc1ccc(CCCc2nc3ccnc(Cl)c3[nH]2)c(OC)c1 ZINC000587929503 EH Annotated Anodyne COc1ccc(-c2ccc(-c3nc4nccc(N)c4[nH]3)cc2)cc1OC ZINC000587929504 EH Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 ZINC000587929522 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 ZINC000587929523 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000587929551 EH Annotated Mild COc1cccc([C@H](C)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000587929555 EH Annotated Mild COc1ccc(CCCc2nc3cc(OC)c(F)cc3[nH]2)c(OC)c1 ZINC000587929583 EH Annotated Anodyne COc1ccc(CCCc2nc3c(C)nc(C)cc3[nH]2)c(OC)c1 ZINC000587929666 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(F)c(F)c(Cl)cc2[nH]1 ZINC000587929879 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587929881 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587929883 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587929884 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587929887 EH Annotated Anodyne COc1cccc(C2(c3nc4nc(Cl)c[nH]c-4n3)CCCC2)c1 ZINC000587929966 EH Annotated Anodyne COc1cccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587929980 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000587929990 EH Annotated Bother COc1cccc([C@H](C)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000587929993 EH Annotated Bother COc1cccc([C@H](C)Cc2nc3cc(OC)c(OC)cc3[nH]2)c1 ZINC000587930092 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(OC)c(OC)cc3[nH]2)c1 ZINC000587930093 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Cl)cc(C#N)cc2[nH]1 ZINC000587930350 EH Annotated Mild COc1cccc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587930483 EH Annotated Mild COc1cccc(CCc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587930515 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000587930540 EH Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000587930542 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2nc(Cl)c(Cl)cc2[nH]1 ZINC000587930738 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587930761 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587930763 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587930764 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587930766 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Br)cccc2[nH]1 ZINC000587930879 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587930882 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587930883 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587930884 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587930885 EH Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587930981 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587930982 EH Annotated Anodyne COc1cccc(C2(c3nc4cnc(Cl)[nH]c-4n3)CCCC2)c1 ZINC000587931071 EH Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)c1 ZINC000587931215 EH Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(OC)cc(OC)c3[nH]2)c1 ZINC000587931245 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(OC)cc(OC)c3[nH]2)c1 ZINC000587931246 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587931542 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587931549 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587931553 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587931556 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587931713 EH Annotated Mild COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587931715 EH Annotated Mild COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587931718 EH Annotated Mild COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587931720 EH Annotated Mild COc1ccccc1CC(=O)c1nc2c(Cl)nc(Cl)cc2[nH]1 ZINC000587931829 EH Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587931994 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587931996 EH Annotated Anodyne COc1cccc(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587932010 EH Annotated Anodyne COc1cccc(CCc2nc3cncc(Br)c3[nH]2)c1 ZINC000587932045 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2ncc(Cl)c(Cl)c2[nH]1 ZINC000587932208 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587932220 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587932221 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587932222 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587932223 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587932224 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587932225 EH Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587932226 EH Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587932227 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(ccc3nc(C)ccc32)[nH]1 ZINC000587932238 EH Annotated Anodyne COc1cccc(CCc2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587932406 EH Annotated Anodyne COc1cccc(C2(c3nc4cncc([N+](=O)[O-])c4[nH]3)CCCC2)c1 ZINC000587932409 EH Annotated Bother COc1cccc(CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587932422 EH Annotated Bother COc1cccc(C2(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CCCC2)c1 ZINC000587932429 EH Annotated Bother COc1cccc(CCc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587932466 EH Annotated Anodyne COc1cccc(C2(c3nc4c(Cl)ncnc4[nH]3)CCCC2)c1 ZINC000587932526 EH Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(Br)ccc2[nH]1 ZINC000587932684 EH Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 ZINC000587932768 EH Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 ZINC000587932771 EH Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4ccnc(O)c4[nH]3)c2)c1 ZINC000587933156 EH Annotated Anodyne COc1cccc(C2(c3nc4ccc(CCO)cc4[nH]3)CCCC2)c1 ZINC000587933432 EH Annotated Anodyne COC(=O)c1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2c1 ZINC000587933970 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587934001 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587934002 EH Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000587934145 EH Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000587934150 EH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000587934151 EH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000587934152 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587934284 EH Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587934287 EH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587934288 EH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587934290 EH Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587934292 EH Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000587934384 EH Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000587934385 EH Annotated Anodyne COc1ccc(C2(c3nc4ccnc(O)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934465 EH Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccco4)c3O)c2)=N1 ZINC000587934469 EH Annotated Anodyne COc1ccc(C2(c3nc4c(N)ccnc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934515 EH Annotated Anodyne COc1ccc(C2(c3nc4cc[nH]c(=N)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934580 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587934717 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000587934723 EH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000587934792 EH Annotated Mild COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000587934793 EH Annotated Mild COc1ccc([C@H](O)[C@H](C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000587934794 EH Annotated Mild COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000587934795 EH Annotated Mild COc1ccc(C2(c3nc4cc(=N)[nH]cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934822 EH Annotated Anodyne COc1ccc(C2(c3nc4cc(N)c(N)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934854 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587935088 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587935130 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2c(Cl)ncnc2[nH]1 ZINC000587935133 EH Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(N)ccnc3[nH]2)cc1 ZINC000587935220 EH Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(N)ccnc3[nH]2)cc1 ZINC000587935221 EH Annotated Anodyne COC(=O)c1cccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c12 ZINC000587935287 EH Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc[nH]c(=N)c3[nH]2)cc1 ZINC000587935307 EH Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc[nH]c(=N)c3[nH]2)cc1 ZINC000587935308 EH Annotated Anodyne Nc1c(Br)cccc1-n1c(O)cc(-c2ccccc2)c1O ZINC000587935500 EH Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1c(N)cccc1Br ZINC000587935568 EH Annotated Mild Nc1cccc(Br)c1-n1c(O)cc(-c2ccccc2)c1O ZINC000587935611 EH Annotated Anodyne CCOC(=O)c1cc(C)n(-c2c(N)cccc2Br)c1C ZINC000587935650 EH Annotated Clean C=CCOc1ccc(OCC=C)n1-c1cccc(Br)c1N ZINC000587935671 EH Annotated Mild COc1ccc2c(c1)CCC=C2Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000587935741 EH Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000587935768 EH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000587935770 EH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000587935771 EH Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000587935774 EH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587935937 EH Annotated Mild COc1ccc2c(c1)CCC=C2Cc1nc2ccc(CCO)cc2[nH]1 ZINC000587936132 EH Annotated Anodyne CCOc1ccc(OCC)n1-c1cccc(Br)c1N ZINC000587936232 EH Annotated Anodyne CCOC(=O)c1cc(C)n(-c2cccc(Br)c2N)c1C ZINC000587936298 EH Annotated Clean COc1ccc2c(c1)C[C@H](c1nc3cc(Cl)nc(C#N)c3[nH]1)CC2 ZINC000587936474 EH Annotated Mild COc1ccc2c(c1)C[C@@H](c1nc3cc(Cl)nc(C#N)c3[nH]1)CC2 ZINC000587936482 EH Annotated Mild CC(C)(C)Oc1ccc(O)n1-c1cccc(Br)c1N ZINC000587936530 EH Annotated Anodyne Cc1ccc(C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587936696 EH Annotated Clean COc1ccc([C@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000587936757 EH Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000587936778 EH Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000587936782 EH Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000587936785 EH Annotated Bother CCOc1ccc(OCC)n1-c1c(N)cccc1Br ZINC000587937091 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)CC2 ZINC000587937125 EH Annotated Bother COc1ccc2c(c1)C[C@@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)CC2 ZINC000587937126 EH Annotated Bother COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000587937181 EH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000587937182 EH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000587937183 EH Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000587937184 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(OC)c(F)cc3[nH]1)CC2 ZINC000587937536 EH Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(=N)[nH]cc3[nH]2)cc1 ZINC000587937577 EH Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(=N)[nH]cc3[nH]2)cc1 ZINC000587937578 EH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000587937633 EH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000587937634 EH Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000587937635 EH Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000587937636 EH Annotated Anodyne CC(C)(C)Oc1ccc(O)n1-c1c(N)cccc1Br ZINC000587937667 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(OC)c(F)cc3[nH]1)CC2 ZINC000587937748 EH Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccnc(O)c3[nH]2)cc1 ZINC000587937873 EH Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccnc(O)c3[nH]2)cc1 ZINC000587937874 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cnc(C(F)(F)F)[nH]c-3n1)CC2 ZINC000587937879 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cnc(C(F)(F)F)[nH]c-3n1)CC2 ZINC000587937921 EH Annotated Anodyne COc1cc(C)c(OC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587938029 EH Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587938122 EH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587938123 EH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587938124 EH Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587938125 EH Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)ccc3OC(C)(C)C)c2)=N1 ZINC000587938238 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(C(=O)O)c(F)cc3[nH]1)CC2 ZINC000587938260 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(C(=O)O)c(F)cc3[nH]1)CC2 ZINC000587938261 EH Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000587938711 EH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000587938712 EH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000587938713 EH Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000587938714 EH Annotated Anodyne COc1cc(C)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587938845 EH Annotated Anodyne Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1ccnc(CCl)n1 ZINC000587939025 EH Annotated Reactive Cc1cc(OC(C)(C)C)n(-c2ccnc(Br)c2)c1O ZINC000587939057 EH Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1ccnc(CCl)n1 ZINC000587939081 EH Annotated Reactive CCOc1ccc(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939181 EH Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccnc(CCl)n1 ZINC000587939530 EH Annotated Reactive O=C(O)CCc1ccc(-c2cccs2)n1-c1ccnc(CCl)n1 ZINC000587939537 EH Annotated Reactive Oc1cc(-c2cccc(F)c2)c(O)n1-c1ccnc(Br)c1 ZINC000587939580 EH Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1ccnc(Br)c1 ZINC000587939785 EH Annotated Mild CC(C)(C)Oc1ccc(O)n1NCc1ccccc1Br ZINC000587939904 EH Annotated Anodyne Oc1cc(-c2ccco2)c(O)n1NCc1ccccc1Br ZINC000587939997 EH Annotated Anodyne Cc1ncc(-n2c(C)cc3c2CC(C)(C)CC3=O)nc1Br ZINC000587940056 EH Annotated Anodyne Oc1cc(-c2ccccc2Cl)c(O)n1-c1ccnc(CCl)n1 ZINC000587940120 EH Annotated Reactive Oc1ccc(OCCCc2ccccc2)n1-c1ccnc(CCl)n1 ZINC000587940160 EH Annotated Reactive Oc1cc(-c2ccccc2)c(O)n1-c1ccnc(Br)c1 ZINC000587940202 EH Annotated Anodyne Oc1cc(-c2ccc(F)cc2)c(O)n1-c1ccnc(Br)c1 ZINC000587940240 EH Annotated Anodyne Cc1c(C)c(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587940442 EH Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2cnc(C)c(Br)n2)c1O ZINC000587940848 EH Annotated Anodyne Oc1cc(Cc2ccccc2)c(O)n1-c1ccnc(Br)c1 ZINC000587940930 EH Annotated Anodyne Oc1ccc(OCc2ccccc2)n1-c1ccnc(Br)c1 ZINC000587940931 EH Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1ccnc(CCl)n1 ZINC000587940978 EH Annotated Reactive Cc1ccc(C(C)C)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941220 EH Annotated Anodyne COc1c(C)cc(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941233 EH Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1ccnc(Br)c1 ZINC000587941349 EH Annotated Anodyne Oc1cc(-c2ccccc2F)c(O)n1-c1ccnc(Br)c1 ZINC000587941383 EH Annotated Anodyne Cc1cc2c(n1-c1cc(C(=O)O)ncc1Br)CCCC2 ZINC000587941572 EH Annotated Anodyne O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccnc(CCl)n1 ZINC000587941611 EH Annotated Reactive COc1cc(C#N)c(OC)n1-c1cc(Cl)cc(Br)c1 ZINC000587941638 EH Annotated Mild COc1ccc(OC)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941689 EH Annotated Anodyne CCOc1cc(-n2c(OC)cc(C)c2OC)c(Cl)cc1C(=O)O ZINC000587942090 EH Annotated Anodyne CCOc1ccc(OCC)n1NCc1ccccc1Br ZINC000587942114 EH Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1cnc(C)c(Br)n1 ZINC000587942367 EH Annotated Anodyne COc1cc(C)c(OC)n1-c1cc2cnccc2c(Br)n1 ZINC000587942447 EH Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc(C(=O)O)c2O)c(Cl)cc1Cl ZINC000587943307 EH Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)ccc2O)c1F ZINC000587943632 EH Annotated Anodyne COc1cc(C)c(OC)n1-c1cc(F)c(Br)cc1F ZINC000587943662 EH Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587944130 EH Annotated Anodyne CC(C)(C)Oc1ccc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944282 EH Annotated Anodyne CC(C)(C)Oc1ccc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944284 EH Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944553 EH Annotated Anodyne CC(C)Oc1ccc(OC(C)C)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944674 EH Annotated Anodyne CCOc1ccc(OCC)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944754 EH Annotated Anodyne CCOc1ccc(OCC)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587944761 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(C#N)c(C#N)cc3[nH]1)CC2 ZINC000587944956 EH Annotated Mild COc1ccc2c(c1)C[C@@H](c1nc3cc(C#N)c(C#N)cc3[nH]1)CC2 ZINC000587944957 EH Annotated Mild COc1ccc2c(c1)C[C@H](c1nc3cc(OC)c(OC)cc3[nH]1)CC2 ZINC000587944969 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(OC)c(OC)cc3[nH]1)CC2 ZINC000587944970 EH Annotated Anodyne Cc1cc(OC(C)(C)C)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945013 EH Annotated Anodyne O=C(O)c1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945188 EH Annotated Anodyne O=C(O)c1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945193 EH Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945211 EH Annotated Anodyne CCOc1ccc(OCC)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587945282 EH Annotated Anodyne CCOc1ccc(OCC)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587945283 EH Annotated Anodyne O=C(O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587945342 EH Annotated Anodyne O=C(O)c1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587945753 EH Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945791 EH Annotated Mild CC(C)(C)Oc1ccc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945932 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)NC(=O)CC4)CC2 ZINC000587946020 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)NC(=O)CC4)CC2 ZINC000587946022 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc(C(=O)N(C)C)cc3[nH]1)CC2 ZINC000587946157 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc(C(=O)N(C)C)cc3[nH]1)CC2 ZINC000587946159 EH Annotated Anodyne Cc1cc2c(n1-c1n[nH]c(-c3ccccc3F)n1)CC(C)(C)CC2=O ZINC000587946268 EH Annotated Anodyne Oc1cc(C2CCCCC2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946862 EH Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c12 ZINC000587946980 EH Annotated Anodyne COC(=O)c1cccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c12 ZINC000587946981 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc([C@@H](N)N=O)cc3[nH]1)CC2 ZINC000587947015 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc([C@H](N)N=O)cc3[nH]1)CC2 ZINC000587947016 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc([C@H](N)N=O)cc3[nH]1)CC2 ZINC000587947017 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc([C@@H](N)N=O)cc3[nH]1)CC2 ZINC000587947018 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(F)cc(C(=O)O)c3[nH]1)CC2 ZINC000587947095 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(F)cc(C(=O)O)c3[nH]1)CC2 ZINC000587947096 EH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(OC)cc(OC)c3[nH]1)CC2 ZINC000587947225 EH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(OC)cc(OC)c3[nH]1)CC2 ZINC000587947226 EH Annotated Anodyne N=c1[nH]cc2nc(/C=C\c3ccccc3Oc3ccccc3)nc-2[nH]1 ZINC000587949215 EH Annotated Anodyne N=c1[nH]cc2nc(/C=C/c3ccccc3Oc3ccccc3)nc-2[nH]1 ZINC000587949216 EH Annotated Anodyne Oc1nc(O)c2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2n1 ZINC000587949653 EH Annotated Anodyne Oc1nc(O)c2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2n1 ZINC000587949654 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(F)c4[nH]1)(C3)C2 ZINC000587949742 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(F)c(F)c4[nH]1)(C3)C2 ZINC000587949791 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cncc(Cl)c4[nH]1)(C3)C2 ZINC000587949804 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C#N)cc4[nH]1)(C3)C2 ZINC000587949830 EH Annotated Mild CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)cc(F)c4[nH]1)(C3)C2 ZINC000587949953 EH Annotated Anodyne COC(=O)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950002 EH Annotated Anodyne Oc1nc2cc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3cc2[nH]1 ZINC000587950015 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccnc(Cl)c4[nH]1)(C3)C2 ZINC000587950115 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587950250 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587950251 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587950252 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587950254 EH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(Cl)nc(C#N)c3[nH]2)CC1 ZINC000587950278 EH Annotated Mild CO[C@H](C)COC1CCC(c2nc3cc(Cl)nc(C#N)c3[nH]2)CC1 ZINC000587950279 EH Annotated Mild c1c2c(cc3[nH]c(COC45CC6CC(CC(C6)C4)C5)nc13)OCCO2 ZINC000587950355 EH Annotated Anodyne COc1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 ZINC000587950398 EH Annotated Anodyne N#Cc1nc(Cl)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950508 EH Annotated Mild CO[C@@H](C)COC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000587950575 EH Annotated Bother CO[C@H](C)COC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000587950595 EH Annotated Bother O=[N+]([O-])c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950613 EH Annotated Bother O=C(O)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950682 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Cl)ccnc4[nH]1)(C3)C2 ZINC000587950740 EH Annotated Anodyne O=C(O)c1cc(F)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950812 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)nc(C)cc4[nH]1)(C3)C2 ZINC000587950814 EH Annotated Anodyne O=C(O)c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1F ZINC000587950824 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)c(F)cc4[nH]1)(C3)C2 ZINC000587950861 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(C#N)c4[nH]1)(C3)C2 ZINC000587950926 EH Annotated Mild CO[C@H](C)COC1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000587950976 EH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000587950979 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)ncc4[nH]1)(C3)C2 ZINC000587950987 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)cnc4[nH]1)(C3)C2 ZINC000587951039 EH Annotated Anodyne Nc1ncnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 ZINC000587951108 EH Annotated Anodyne Nc1ncnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 ZINC000587951109 EH Annotated Anodyne Brc1c[nH]c2nc(-c3ccc(OC4CCC4)cc3)nc-2n1 ZINC000587951166 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(F)cc4[nH]1)(C3)C2 ZINC000587951329 EH Annotated Anodyne COc1cccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c12 ZINC000587951432 EH Annotated Anodyne c1c2c(cc3[nH]c(COC45CC6CC(CC(C6)C4)C5)nc13)OCO2 ZINC000587951454 EH Annotated Anodyne N#Cc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1C#N ZINC000587951468 EH Annotated Mild C[C@H](Oc1ccc2ccccc2c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587951516 EH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc4cn[nH]c4cc3[nH]2)CC1 ZINC000587951572 EH Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc4cn[nH]c4cc3[nH]2)CC1 ZINC000587951573 EH Annotated Anodyne COc1cc(OC)c2[nH]c(C3CCC(OC[C@H](C)OC)CC3)nc2c1 ZINC000587951610 EH Annotated Anodyne COc1cc(OC)c2[nH]c(C3CCC(OC[C@@H](C)OC)CC3)nc2c1 ZINC000587951611 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587951709 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587951710 EH Annotated Anodyne O=C(O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587951711 EH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Cl)nc4[nH]1)(C3)C2 ZINC000587951714 EH Annotated Anodyne OCCc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587951742 EH Annotated Anodyne Sc1nc(S)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2n1 ZINC000587951829 EH Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(C(C)=O)cc3[nH]2)CC1 ZINC000587951919 EH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(C(C)=O)cc3[nH]2)CC1 ZINC000587951920 EH Annotated Anodyne FC(F)(F)c1ncc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2n1 ZINC000587952101 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587952105 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587952108 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587952110 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587952112 EH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3c(C)cnc(Cl)c3[nH]2)CC1 ZINC000587952321 EH Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3c(C)cnc(Cl)c3[nH]2)CC1 ZINC000587952322 EH Annotated Anodyne COc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1C ZINC000587952469 EH Annotated Anodyne COc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1C ZINC000587952470 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587952487 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587952488 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587952489 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587952490 EH Annotated Anodyne COc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1F ZINC000587952535 EH Annotated Anodyne COc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1F ZINC000587952536 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587952545 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587952546 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587952547 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587952548 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587952583 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587952584 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587952585 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587952586 EH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587952614 EH Annotated Bother CO[C@H](C)COC1CCC(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587952615 EH Annotated Bother COc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1OC ZINC000587952715 EH Annotated Anodyne COc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1OC ZINC000587952716 EH Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587952812 EH Annotated Anodyne Clc1c(Br)cnc2[nH]c(C#Cc3ccccc3)nc12 ZINC000587952837 EH Annotated Mild CO[C@@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 ZINC000587952915 EH Annotated Bother CO[C@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 ZINC000587952918 EH Annotated Bother CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587952948 EH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587952951 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587952952 EH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587952954 EH Annotated Anodyne Ic1ccc2nc(C#Cc3ccccc3)[nH]c2c1 ZINC000587953037 EH Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(C#Cc3ccccc3)[nH]c12 ZINC000587953041 EH Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(C#Cc3ccccc3)[nH]c12 ZINC000587953284 EH Annotated Mild Clc1ncc(Br)c2nc(C#Cc3ccccc3)[nH]c12 ZINC000587953378 EH Annotated Mild O=C(CCc1ccccc1)c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000587953681 EH Annotated Anodyne Ic1cccc2nc(C#Cc3ccccc3)[nH]c12 ZINC000587953865 EH Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(C#Cc3ccccc3)[nH]c21 ZINC000587954005 EH Annotated Mild C=CC(C)(C)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587954161 EH Annotated Mild C=CC(C)(C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587954189 EH Annotated Mild C=CCC(C)(C)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587954298 EH Annotated Mild C=CCC(C)(C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587954337 EH Annotated Mild C=CC(C)(C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587954455 EH Annotated Mild COC(=O)c1ccc2nc(C(C)(C)c3ccccc3C)[nH]c2c1OC ZINC000587954610 EH Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587954913 EH Annotated Clean CC(C)(CC(=O)O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587955124 EH Annotated Bother CC(C)(CC(=O)O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587955223 EH Annotated Bother Cc1ccccc1C(C)(C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587955430 EH Annotated Anodyne Cc1c(Br)ccc2nc(CC(C)(C)CC(=O)O)[nH]c12 ZINC000587955529 EH Annotated Anodyne COC(=O)c1cc2[nH]c(C(C)(C)c3ccccc3C)nc2cc1OC ZINC000587955559 EH Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587955796 EH Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587955805 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(CC(C)(C)CC(=O)O)nc2c1 ZINC000587955841 EH Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587956121 EH Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587956135 EH Annotated Anodyne Oc1nc(S)nc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587956158 EH Annotated Anodyne Oc1nc(S)nc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 ZINC000587956161 EH Annotated Anodyne N=c1[nH]c2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587956297 EH Annotated Anodyne N=c1[nH]c2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587956298 EH Annotated Anodyne CC[C@@H](C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587956299 EH Annotated Anodyne CC[C@H](C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587956300 EH Annotated Anodyne Cc1c(Br)cc2nc(CC(C)(C)CC(=O)O)[nH]c2c1C ZINC000587956320 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000587956339 EH Annotated Mild CCc1ccc(C(=O)CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587956348 EH Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587956358 EH Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587956392 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000587956541 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587956672 EH Annotated Anodyne CC#CCCCCCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587956695 EH Annotated Mild CCc1ccc(C(=O)CCc2nc3ccc(C(=O)OC)cc3[nH]2)cc1 ZINC000587956720 EH Annotated Anodyne CC[C@@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587956815 EH Annotated Anodyne CC[C@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587956817 EH Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cnnc(O)c2[nH]1 ZINC000587956867 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000587956910 EH Annotated Anodyne CC#CCCCCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587956940 EH Annotated Mild CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587956944 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587956953 EH Annotated Bother CC#CCCCCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587956977 EH Annotated Mild CCc1ccc(C(=O)CCc2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000587957006 EH Annotated Anodyne CCC[C@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C ZINC000587957080 EH Annotated Anodyne CCC[C@@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C ZINC000587957081 EH Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2c(O)ncnc2[nH]1 ZINC000587957089 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000587957151 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000587957152 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000587957186 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587957253 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000587957293 EH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000587957297 EH Annotated Mild CCc1ccc(C(=O)CCc2nc3cccc(C(=O)OC)c3[nH]2)cc1 ZINC000587957422 EH Annotated Anodyne Nc1ncnc2[nH]c(CCCCCCCCCCCCC(=O)O)nc12 ZINC000587957681 EH Annotated Anodyne N=c1[nH]cc2nc(CCCCCCCCCCCCC(=O)O)nc-2[nH]1 ZINC000587957840 EH Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000587958608 EH Annotated Anodyne Cc1ccc(C)c(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587958754 EH Annotated Anodyne CC[C@@]1(Cc2nc3ccc(OC)nc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587958933 EH Annotated Anodyne CC[C@]1(Cc2nc3ccc(OC)nc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587958937 EH Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587958985 EH Annotated Anodyne CC[C@@]1(Cc2nc3ccnc(OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959061 EH Annotated Anodyne CC[C@]1(Cc2nc3ccnc(OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959062 EH Annotated Anodyne CC1=C(c2ccc3nc(Cc4cc(C)ccc4C)[nH]c3c2)NNC(=O)C1 ZINC000587959277 EH Annotated Anodyne N=c1[nH]c2nc(Cc3ccccc3-c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587959390 EH Annotated Anodyne Cc1ccc(C)c(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587959432 EH Annotated Bother CC[C@]1(Cc2nc3cnc(Cl)[nH]c-3n2)CC(=O)c2ccccc2C1 ZINC000587959490 EH Annotated Anodyne CC[C@@]1(Cc2nc3cnc(Cl)[nH]c-3n2)CC(=O)c2ccccc2C1 ZINC000587959491 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@H](C)CCC(=O)O)nc2c1 ZINC000587959792 EH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1OC ZINC000587959803 EH Annotated Anodyne O=[N+]([O-])c1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587959996 EH Annotated Bother Cc1c(Br)ccc2nc(C[C@H](C)CCC(=O)O)[nH]c12 ZINC000587960085 EH Annotated Anodyne Cc1cc(Br)c2[nH]c(CC[C@@H](C)CC(=O)O)nc2c1 ZINC000587960128 EH Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587960356 EH Annotated Anodyne N=c1[nH]c2nc(Cc3cccc(-c4ccccc4)c3)nc-2c(Cl)[nH]1 ZINC000587960412 EH Annotated Anodyne Cc1c(Br)ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c12 ZINC000587960525 EH Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587960540 EH Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cccc(Br)c3[nH]2)cc1 ZINC000587960560 EH Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1OC ZINC000587960613 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587960751 EH Annotated Bother C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587960752 EH Annotated Bother C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587960753 EH Annotated Bother C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587960754 EH Annotated Bother Cc1c(Br)cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1C ZINC000587960868 EH Annotated Anodyne Cc1cc(Br)cc2nc(CC[C@@H](C)CC(=O)O)[nH]c12 ZINC000587960900 EH Annotated Anodyne CC[C@@]1(Cc2nc3cc(OC)ncc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960995 EH Annotated Anodyne CC[C@]1(Cc2nc3cc(OC)ncc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960998 EH Annotated Anodyne CC[C@@]1(Cc2nc3ccc(CO)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961010 EH Annotated Anodyne CC[C@]1(Cc2nc3ccc(CO)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961014 EH Annotated Anodyne CC1=C(c2ccc3nc(CC4CCCCCC4)[nH]c3c2)NNC(=O)C1 ZINC000587961050 EH Annotated Anodyne Cc1cc(Br)cc2nc(C[C@H](C)CCC(=O)O)[nH]c12 ZINC000587961075 EH Annotated Anodyne Cc1c(Br)cc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1C ZINC000587961174 EH Annotated Anodyne Cc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1Br ZINC000587961284 EH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1 ZINC000587961302 EH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CC3CCC(C)(C)CC3)[nH]c12 ZINC000587961366 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587961428 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587961430 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587961432 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587961434 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587961482 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587961483 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587961484 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587961486 EH Annotated Anodyne Cc1ccc2c(ccc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c32)n1 ZINC000587961510 EH Annotated Anodyne c1ccc([C@@H]2C[C@H]2Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587961597 EH Annotated Anodyne Cc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1Br ZINC000587961779 EH Annotated Anodyne CC[C@@]1(Cc2nc3cncc(OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961796 EH Annotated Anodyne CC[C@]1(Cc2nc3cncc(OC)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961797 EH Annotated Anodyne CC[C@]1(Cc2nc3ccc(CCO)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961803 EH Annotated Anodyne C[C@H](CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)CC(=O)O ZINC000587962105 EH Annotated Bother CC[C@@]1(Cc2nc3ccc(CCO)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962117 EH Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587962146 EH Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587962196 EH Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587962199 EH Annotated Clean C[C@H](CCc1nc2cc(Br)c(F)c(F)c2[nH]1)CC(=O)O ZINC000587962219 EH Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587962228 EH Annotated Anodyne C[C@H](CCc1nc2cc(Br)c(F)cc2[nH]1)CC(=O)O ZINC000587962231 EH Annotated Anodyne CC[C@]1(Cc2nc3nc(Cl)c[nH]c-3n2)CC(=O)c2ccccc2C1 ZINC000587962275 EH Annotated Anodyne CC[C@@]1(Cc2nc3nc(Cl)c[nH]c-3n2)CC(=O)c2ccccc2C1 ZINC000587962276 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587962436 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587962440 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587962442 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587962447 EH Annotated Anodyne C[C@H](CCc1nc2ccc(Br)c(F)c2[nH]1)CC(=O)O ZINC000587962562 EH Annotated Anodyne C[C@H](CCc1nc2c3cccnc3c3ncccc3c2[nH]1)CC(=O)O ZINC000587962575 EH Annotated Bother CC[C@]1(Cc2nc3c(Cl)ncnc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962599 EH Annotated Anodyne CC[C@@]1(Cc2nc3c(Cl)ncnc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962603 EH Annotated Anodyne C[C@H](CCc1nc2cc(F)cc(Br)c2[nH]1)CC(=O)O ZINC000587962697 EH Annotated Anodyne Oc1nc(S)nc2[nH]c(Cc3ccccc3-c3ccccc3)nc12 ZINC000587962775 EH Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587962902 EH Annotated Bother C[C@H](CCc1nc2cc(Br)cc(F)c2[nH]1)CC(=O)O ZINC000587963000 EH Annotated Anodyne C[C@H](CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)CC(=O)O ZINC000587963138 EH Annotated Clean C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587963227 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587963228 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587963229 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587963230 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587963238 EH Annotated Bother C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587963241 EH Annotated Bother C[C@@H]1C(=O)CC[C@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587963243 EH Annotated Bother C[C@H]1C(=O)CC[C@@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587963245 EH Annotated Bother C[C@H](CCC(=O)O)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587963311 EH Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587963382 EH Annotated Anodyne C[C@H](CCc1nc2ccc(F)c(Br)c2[nH]1)CC(=O)O ZINC000587963428 EH Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587963450 EH Annotated Bother C[C@H](CCC(=O)O)Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587963451 EH Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587963536 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587963719 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587963720 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587963721 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587963722 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587963768 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587963769 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587963770 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587963771 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587963772 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587963773 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587963774 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587963775 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587963777 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587963778 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587963779 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587963780 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587963969 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587963970 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587963971 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587963972 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587964033 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587964034 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587964035 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587964036 EH Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587964186 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587964187 EH Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587964188 EH Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587964189 EH Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C\C(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587964957 EH Annotated Mild CCOC(=O)c1ccc2nc(/C=C/C(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587964960 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587965040 EH Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587965041 EH Annotated Mild CCCC/C=C\c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587965227 EH Annotated Anodyne CCCC/C=C/c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587965228 EH Annotated Anodyne Brc1c[nH]c2nc(C=C3C4CC5CC(C4)CC3C5)nc-2n1 ZINC000587965466 EH Annotated Anodyne Clc1ncc(I)c2nc(C=C3CCC3)[nH]c12 ZINC000587965467 EH Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587965571 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587965574 EH Annotated Mild CCOC(=O)Cc1ccc2nc(/C=C\C(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587965622 EH Annotated Mild CCOC(=O)Cc1ccc2nc(/C=C/C(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587965626 EH Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cncc(Br)c3[nH]2)cc1 ZINC000587965632 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cncc(Br)c3[nH]2)cc1 ZINC000587965633 EH Annotated Mild O=C(O)/C=C/C=C\c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587965964 EH Annotated Anodyne O=C(O)/C=C/C=C/c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587965965 EH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c1 ZINC000587966111 EH Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587966231 EH Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587966234 EH Annotated Mild Ic1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 ZINC000587966426 EH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 ZINC000587966429 EH Annotated Bother CCCC/C=C/c1nc2cc(I)cnc2[nH]1 ZINC000587966524 EH Annotated Anodyne CCCC/C=C\c1nc2cc(I)cnc2[nH]1 ZINC000587966525 EH Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587966568 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587966569 EH Annotated Mild CC(C)=CCC/C(C)=C\c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587966668 EH Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587966671 EH Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587966904 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587966913 EH Annotated Mild O=C(O)/C=C/C=C\c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587966948 EH Annotated Anodyne O=C(O)/C=C/C=C/c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587966949 EH Annotated Anodyne Ic1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 ZINC000587966977 EH Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587967042 EH Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587967065 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587967066 EH Annotated Mild CC/C(=C\c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(C)cc1 ZINC000587967085 EH Annotated Anodyne CC/C(=C/c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(C)cc1 ZINC000587967094 EH Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587967117 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587967118 EH Annotated Mild COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 ZINC000587967347 EH Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587967529 EH Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587967536 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587967538 EH Annotated Mild Sc1nc(S)c2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2n1 ZINC000587967602 EH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c12 ZINC000587967814 EH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 ZINC000587967851 EH Annotated Bother O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 ZINC000587967857 EH Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587967873 EH Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1)C(F)(F)F ZINC000587967936 EH Annotated Anodyne O=C1COc2cc3[nH]c(C=C4C5CC6CC(C5)CC4C6)nc3cc2N1 ZINC000587968032 EH Annotated Anodyne O=S(=O)(O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 ZINC000587968037 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(F)c(F)c(F)c(F)c4[nH]1)(C3)C2 ZINC000587968370 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Cl)cnc(Cl)c4[nH]1)(C3)C2 ZINC000587968383 EH Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587968436 EH Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587968437 EH Annotated Anodyne C/C(=C\c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C1CCCCC1 ZINC000587968500 EH Annotated Anodyne C/C(=C/c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C1CCCCC1 ZINC000587968501 EH Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587968618 EH Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587968619 EH Annotated Mild C/C(=C\c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C1CCCCC1 ZINC000587969277 EH Annotated Anodyne C/C(=C/c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C1CCCCC1 ZINC000587969278 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)cc4[nH]1)(C3)C2 ZINC000587969320 EH Annotated Anodyne COc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Cl ZINC000587969337 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Cl)c(Cl)cnc4[nH]1)(C3)C2 ZINC000587969411 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)cnc4[nH]1)(C3)C2 ZINC000587969414 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cccc(Br)c4[nH]1)(C3)C2 ZINC000587969607 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc([N+](=O)[O-])c(Cl)cc4[nH]1)(C3)C2 ZINC000587969608 EH Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 ZINC000587969648 EH Annotated Mild O=C(O)/C=C/C=C\c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587969774 EH Annotated Anodyne O=C(O)/C=C/C=C/c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587969775 EH Annotated Anodyne COC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000587969842 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Cl)nc(Cl)c4[nH]1)(C3)C2 ZINC000587970022 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc5c(cc4[nH]1)OC(F)(F)O5)(C3)C2 ZINC000587970041 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)ncc4[nH]1)(C3)C2 ZINC000587970101 EH Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Cl)c(Cl)nc4[nH]1)(C3)C2 ZINC000587970124 EH Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3ccc(CCO)cc3[nH]2)CC1 ZINC000587970200 EH Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000587970506 EH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000587970507 EH Annotated Anodyne N#Cc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1C#N ZINC000587971043 EH Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2c1 ZINC000587971093 EH Annotated Anodyne O=C1Nc2c(Br)cccc2/C1=C1/Cc2ccccc2C1=O ZINC000059124861 EH Annotated Mild C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](/C=C\[C@@H](Cl)CC)O1 ZINC000059151537 EH Annotated Reactive C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](/C=C\[C@H](Cl)CC)O1 ZINC000059151538 EH Annotated Reactive C#C/C=C\C[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](/C=C\[C@@H](Cl)CC)O1 ZINC000059151542 EH Annotated Reactive C#C/C=C\C[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](/C=C\[C@H](Cl)CC)O1 ZINC000059151545 EH Annotated Reactive C=C(C)[C@@H]1CCC2=C(C(=O)C=C(C(C)C)C2=O)[C@@]1(C)CCC(=O)O ZINC000059151586 EH Annotated Mild C=CCc1cc(C/C=C/Oc2ccc(O)c(OC)c2)c(O)c(OC)c1 ZINC000059182638 EH Annotated Mild C=C[C@@H]1Cc2cc3c(cc2O1)oc(=O)c1c2cc4c(cc2oc31)OCO4 ZINC000059204753 EH Annotated Mild C=C[C@H]1Cc2cc3c(cc2O1)oc(=O)c1c2cc4c(cc2oc31)OCO4 ZINC000059204755 EH Annotated Anodyne CC(C)(C)c1cc(Cl)ccc1OC1CN(C(=O)c2ccccn2)C1 ZINC000059257338 EH Annotated Anodyne COc1cc2c(c(O)c1C(C)C)CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C ZINC000059297709 EH Annotated Anodyne C=C([C@@H]1CC(=O)[C@]2(C)O[C@@H]2C1)[C@H](CC=C(C)C)OC(=O)/C(C)=C/C ZINC000059586258 EH Annotated Mild in-vitro biogenic C=C(C)CCCc1c(O)cc(O)c2c(=O)c3ccc(O)c(O)c3oc12 ZINC000059587688 EH Annotated Mild in-vitro biogenic C/C=C1/C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCC(C)=O)[C@@H](OC(C)=O)[C@H]12 ZINC000059587919 EH Annotated Anodyne in-vitro biogenic C=C1C(=O)C[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@H](OC(=O)[C@H](C)CC)[C@H]12 ZINC000059589101 EH Annotated Mild in-vitro biogenic C=C1[C@H](O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)[C@H]4OCCN4C5)[C@@H]2CC[C@@H]1C3 ZINC000059720913 EH Annotated Mild C[C@@H](CO)CCC[C@](C)(O)CCC[C@@H](C)CCC(=O)[C@H](C)CCO ZINC000059778998 EH Annotated Anodyne in-vitro C[C@@H](CCCC(C)(C)O)[C@@H]1c2cc(C(=O)O)ccc2[C@H](C)C[C@@H]1O ZINC000059779369 EH Annotated Anodyne C[C@@H](CCCC(C)(C)O)[C@@H]1c2cc(C(=O)O)ccc2[C@H](C)C[C@H]1O ZINC000059779374 EH Annotated Anodyne CCN(Cc1ccncc1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000059874856 EH Annotated Anodyne CN(Cc1cccnc1)Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000059897203 EH Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1Oc1ccc(Cl)c(C)c1 ZINC000059900366 EH Annotated Mild CC(C)CNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]12 ZINC000059932945 EH Annotated Clean CC(C)CNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000059932949 EH Annotated Clean C=C(C)[C@@H]1CCC2=C[C@H](OC2=O)[C@@]2(C)C[C@@H]2c2cc(C)c(o2)[C@H]1O ZINC000006003039 EH Annotated Mild O=C(O)c1cc(C[C@H]2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 ZINC000006003316 EH Annotated Anodyne C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)N=C1SC/C=C/C ZINC000006004088 EH Annotated Mild Cn1c(CC[C@]2(C)Cc3ccccc3C(=O)O2)cc2ccccc2c1=O ZINC000006004509 EH Annotated Anodyne N[C@@H](CCCCC[P@](=O)(c1ccccc1)[C@H]1C=CC=CC1)C(=O)O ZINC000006004781 EH Annotated Anodyne N[C@@H](CCCCC[P@@](=O)(c1ccccc1)[C@H]1C=CC=CC1)C(=O)O ZINC000006004783 EH Annotated Anodyne N[C@H](CCCCC[P@](=O)(c1ccccc1)[C@H]1C=CC=CC1)C(=O)O ZINC000006004785 EH Annotated Anodyne N[C@H](CCCCC[P@@](=O)(c1ccccc1)[C@H]1C=CC=CC1)C(=O)O ZINC000006004788 EH Annotated Anodyne Cc1ccc(N/N=C/C2=CC(C)(C)C(C#N)(C#N)C(O)=C2C#N)cc1 ZINC000006004968 EH Annotated Reactive Cc1ccc(C2=Nn3c(nc4sc(C)c(C)c4c3=O)SC2)cc1 ZINC000006006829 EH Annotated Anodyne CC(C)(C)N(Cc1ccoc1)C(=O)/C=C\[S@@](=O)c1ccccc1 ZINC000006009942 EH Annotated Anodyne CC(C)(C)N(Cc1ccoc1)C(=O)/C=C\[S@](=O)c1ccccc1 ZINC000006009943 EH Annotated Anodyne CNC(=O)c1ccccc1-[s+]1c2cccc3cccc(c(=O)n1C)c32 ZINC000006010064 EH Annotated Anodyne O=C([C@H](O)[C@@H](O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000006010082 EH Annotated Anodyne CN1CC[C@]23C1=Nc1ccccc1[C@]21CCN(C)C1=Nc1ccccc13 ZINC000006010160 EH Annotated Anodyne CCc1nnc(S)n1/N=C\c1ccc(-c2ccccc2Cl)o1 ZINC000006018839 EH Annotated Mild CCO[C@@H]1CC(=O)c2c(Br)sc(Br)c21 ZINC000006019286 EH Annotated Anodyne COc1ccc(CC/N=C(\C)C2=C(O)CC(C)(C)CC2=O)cc1OC ZINC000006022362 EH Annotated Mild Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@H](C)C4(C)C)C(O)=C(O)C2=O ZINC000006030527 EH Annotated Mild CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@]2(C)CC1)O[C@H](C)C4 ZINC000006031611 EH Annotated Mild CC(C)[C@H]1C(=O)C=C2[C@@H]3CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]4(C)[C@H]3CC[C@@]21C ZINC000006036036 EH Annotated Mild in-vitro Clc1nc2c(C#Cc3ccccc3)ncnc2n1[C@H]1CCCCO1 ZINC000006040203 EH Annotated Mild Clc1ncnc2c1nc(C#Cc1ccccc1)n2[C@H]1CCCCO1 ZINC000006040205 EH Annotated Mild O=C(N/N=C/c1ccccc1)c1cccc2nc3ccccc3nc12 ZINC000006041341 EH Annotated Reactive O=C1C=CC2(C=C1)O[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)O2 ZINC000006041734 EH Annotated Mild C=C1C(=O)O[C@H]2C(=O)[C@H](C)CCC/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000006041802 EH Annotated Mild Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)C[C@@H](C)CC4)no1 ZINC000006043948 EH Annotated Anodyne Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)C[C@H](C)CC4)no1 ZINC000006043950 EH Annotated Anodyne C/C1=C\CC[C@](C)(O)[C@H]2C[C@@H](CC[C@]3(C)O[C@H]3CC1)[C@H](C)C(=O)O2 ZINC000006066948 EH Annotated Anodyne COC(=O)c1cc(C)n(/C(=N\c2ccc(OC)cc2)c2ccccc2)n1 ZINC000006070209 EH Annotated Mild O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)C=C[C@H](O)[C@H]4O ZINC000006094402 EH Annotated Bother O=C(O)[C@@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 ZINC000006095502 EH Annotated Anodyne O=C(O)[C@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 ZINC000006095503 EH Annotated Anodyne O=C(N[C@H]1CCCc2ccccc21)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000006112837 EH Annotated Anodyne O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@H]2[C@@H]1O ZINC000006117977 EH Annotated Bother O[C@H]1[C@H](O)c2ccc3c4ccccc4c4ccccc4c3c2[C@@H]2O[C@@H]21 ZINC000006117981 EH Annotated Anodyne Oc1cc2c(cc1Br)[nH]c1c(C3=NCCC3)nccc12 ZINC000006119109 EH Annotated Anodyne CC1CCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)CC1 ZINC000006138334 EH Annotated Anodyne CCCN(CC1CC1)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000006138357 EH Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000006139247 EH Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000006139252 EH Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000006139292 EH Annotated Anodyne N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCCC[C@@H]2[C@]1(C#N)C(=N)O3 ZINC000006195291 EH Annotated Mild O=C(O)c1ccccc1/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000006226981 EH Annotated Clean Cc1ccc2cc(CCNC(=O)CC3CCCCC3)c(=O)[nH]c2c1C ZINC000006309491 EH Annotated Anodyne CCCN(CCC)CCSc1n[nH]c2c3ccccc3nc-2n1 ZINC000006380159 EH Annotated Anodyne C/C=C(\C)C(=O)c1c(OC)cc(OC)c2c(CCC)cc(=O)oc12 ZINC000006381540 EH Annotated Mild CCN1C(=O)N(c2cccc(Cl)c2)S(=O)(=O)c2cscc21 ZINC000006385246 EH Annotated Anodyne C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 ZINC000006408559 EH Annotated Anodyne CCSc1nn2c(COc3ccc(Cl)cc3)nnc2s1 ZINC000006411588 EH Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](CC)N2 ZINC000006412092 EH Annotated Anodyne C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 ZINC000006416033 EH Annotated Anodyne N#CCCN/N=C(/Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000006424109 EH Annotated Mild CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@H](CC)N2 ZINC000006424584 EH Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]1O[C@H]2[C@H](C)CC/C=C(\C)[C@@H]2CC[C@@]1(C)O2 ZINC000006437672 EH Annotated Mild C[C@@H]1CC[C@]2(C)[C@]3(C)CC[C@]2(OC3=O)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000006437805 EH Annotated Anodyne C=C1C(=O)O[C@H](c2ccoc2)C[C@@H]1[C@@]1(C)CCC[C@]2(C)C(=O)OC[C@@H]21 ZINC000006442135 EH Annotated Mild C=C1C(=O)O[C@H](c2ccoc2)C[C@@H]1[C@@]1(C)CCC[C@]2(C)C(=O)OC[C@H]21 ZINC000006442137 EH Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@@]2(C)CC[C@]1(OC)C3 ZINC000006442329 EH Annotated Mild C=CC[C@]1([C@H](C)Cc2ccc(OC)c(OC)c2)C[C@@H](OC)C=CC1=O ZINC000006443126 EH Annotated Mild COc1c(Cl)ccc2c1[C@@](C#CC1CC1)(C(F)(F)F)NC(=O)N2 ZINC000006483445 EH Annotated Mild COc1ccc(NC(=S)c2ccoc2C)cc1CC(=O)OC(C)C ZINC000006483677 EH Annotated Anodyne Cc1cc(O)c(Cl)c2oc3c(Cl)c(O)cc(O)c3c(=O)c12 ZINC000006484335 EH Annotated Bother COC(=O)c1cc(C)ccc1C[C@H](Cc1ccccc1C)C(=O)OC ZINC000006484979 EH Annotated Anodyne COC(=O)c1cc(C)ccc1C[C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000006487144 EH Annotated Anodyne C[C@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O ZINC000006487780 EH Annotated Mild COC(=O)c1cc(C)ccc1C[C@H](Cc1cccc(C)c1)C(=O)OC ZINC000006491062 EH Annotated Anodyne C[C@@H](NC(=O)N1C(=O)C[C@H]1Sc1ccccc1)c1ccccc1 ZINC000006494415 EH Annotated Anodyne C[C@@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccccc1)c1ccccc1 ZINC000006494440 EH Annotated Anodyne CCN1CCC[C@@H]1CNc1[nH]cnc2c3cc(Cl)ccc3nc1-2 ZINC000006498793 EH Annotated Anodyne CCN1CCC[C@H]1CNc1[nH]cnc2c3cc(Cl)ccc3nc1-2 ZINC000006498794 EH Annotated Anodyne C[C@@]12CCC[C@]3(C)C4=C(C[C@@H](OC1=O)[C@@H]23)C(=O)c1occc1CC4 ZINC000060273614 EH Annotated Mild C[C@@]12CCC[C@]3(C)C4=C(C=C5OC(=O)C=C5CC4)C[C@@H](OC1=O)[C@@H]23 ZINC000060273616 EH Annotated Anodyne ClCc1ccccc1Cn1cnc2c(Cl)nc(Cl)nc21 ZINC000060292846 EH Annotated Reactive CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@H]2c3ccccc3C[C@@H]12 ZINC000061691677 EH Annotated Anodyne N#C[C@@H](C(=O)CSc1ccccn1)c1nc2ccccc2s1 ZINC000061707731 EH Annotated Mild O=C(/N=C1\c2ccccc2CN1c1ccc(F)c(F)c1)c1cccnc1 ZINC000061710874 EH Annotated Mild Oc1ccc(C[C@@H]2CNCCN2CCc2cccc3ccccc23)cc1 ZINC000061711153 EH Annotated Anodyne Oc1ccc(C[C@@H]2CNCCN2CCCCC2CCCCC2)cc1 ZINC000061711168 EH Annotated Anodyne Oc1ccc(C[C@H]2CNCCN2CCCCC2CCCCC2)cc1 ZINC000061711181 EH Annotated Anodyne Oc1ccc(C[C@H]2CNCCN2CCc2cccc3ccccc23)cc1 ZINC000061711183 EH Annotated Anodyne c1ccc(C[C@H]2CNCCN2CCc2cccc3ccccc23)cc1 ZINC000061711186 EH Annotated Anodyne CCOC(=O)Cc1ccc(Nc2nc(NC)nc3ccsc23)cc1 ZINC000061895350 EH Annotated Anodyne COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(C)cc2)c1F ZINC000061895551 EH Annotated Anodyne COc1cccc(CN2CC[C@]2(C)C(=O)Nc2ccc(C)cc2)c1F ZINC000061895552 EH Annotated Anodyne Cc1cnc(C)c(Nc2nc([C@H](N)CCc3ccccc3)cs2)n1 ZINC000061895580 EH Annotated Anodyne Cc1cnc(C)c(Nc2nc([C@@H](N)CCc3ccccc3)cs2)n1 ZINC000061895581 EH Annotated Anodyne CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1 ZINC000061895683 EH Annotated Anodyne CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1 ZINC000061895684 EH Annotated Anodyne Cc1cc2nc(NC(=O)[C@]3(C)CCCN(C(C)C)C3)[nH]c2cc1C ZINC000061895888 EH Annotated Anodyne Cc1cc2nc(NC(=O)[C@@]3(C)CCCN(C(C)C)C3)[nH]c2cc1C ZINC000061895889 EH Annotated Anodyne COc1cccc([C@@](C)(O)c2nc(-c3cccc(C#N)c3)cs2)c1 ZINC000061896172 EH Annotated Mild COc1cccc([C@](C)(O)c2nc(-c3cccc(C#N)c3)cs2)c1 ZINC000061896173 EH Annotated Mild C[C@]1(C(=O)NCc2ccccc2)Cc2c(-c3ccccc3)ccnc2O1 ZINC000061896530 EH Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)Cc2c(-c3ccccc3)ccnc2O1 ZINC000061896532 EH Annotated Anodyne COCCNc1nc(NCc2ccc(C)cc2C)c2sccc2n1 ZINC000061896672 EH Annotated Anodyne N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ncccn2)n1 ZINC000061896834 EH Annotated Anodyne N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ncccn2)n1 ZINC000061896835 EH Annotated Anodyne CCc1cnc(Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)nc1 ZINC000061897251 EH Annotated Anodyne CCc1cnc(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)nc1 ZINC000061897254 EH Annotated Anodyne COc1cccc(-c2cnc3c(NC=O)cc(-c4ccoc4)cn23)c1 ZINC000061897616 EH Annotated Anodyne CSc1ccc(CN2CC[C@]2(C)C(=O)NCc2cccs2)cc1 ZINC000061897885 EH Annotated Anodyne CSc1ccc(CN2CC[C@@]2(C)C(=O)NCc2cccs2)cc1 ZINC000061897886 EH Annotated Anodyne CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc2nc(C)ccc2c1 ZINC000061897898 EH Annotated Anodyne CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc2nc(C)ccc2c1 ZINC000061897901 EH Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1F ZINC000061898080 EH Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1F ZINC000061898082 EH Annotated Anodyne CCc1nc2cc(NC(=O)[C@]3(C)CCCN(C(C)C)C3)ccc2o1 ZINC000061898287 EH Annotated Anodyne CCc1nc2cc(NC(=O)[C@@]3(C)CCCN(C(C)C)C3)ccc2o1 ZINC000061898290 EH Annotated Anodyne COc1cccc(-c2c[nH]c([C@@H](O)c3cc(C)c(OC)c(C)c3)n2)c1 ZINC000061898483 EH Annotated Anodyne COc1cccc(-c2c[nH]c([C@H](O)c3cc(C)c(OC)c(C)c3)n2)c1 ZINC000061898484 EH Annotated Anodyne CN(C)CCNc1nc(Oc2cccc(F)c2)c2sccc2n1 ZINC000061902673 EH Annotated Anodyne COc1c(C)cc([C@H](O)c2nc(-c3ccccc3F)c[nH]2)cc1C ZINC000061902711 EH Annotated Anodyne COc1c(C)cc([C@@H](O)c2nc(-c3ccccc3F)c[nH]2)cc1C ZINC000061902712 EH Annotated Anodyne CSc1ccc(CN2C(=O)[C@@H](C)Oc3c(C(C)=O)cccc32)cc1 ZINC000061902891 EH Annotated Anodyne CSc1ccc(CN2C(=O)[C@H](C)Oc3c(C(C)=O)cccc32)cc1 ZINC000061902892 EH Annotated Anodyne COCCNc1nc(Oc2cncc(Cl)c2)c2sccc2n1 ZINC000061903439 EH Annotated Anodyne Cc1cccc(-c2cc(NCCc3cccnc3)n3nccc3n2)c1 ZINC000061903454 EH Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000061903840 EH Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000061903841 EH Annotated Anodyne COc1ccc(-c2csc([C@H](O)c3ccc(OC)cc3)n2)cc1 ZINC000061903993 EH Annotated Anodyne COc1ccc(-c2csc([C@@H](O)c3ccc(OC)cc3)n2)cc1 ZINC000061903994 EH Annotated Anodyne N[C@@H](c1ccccc1)c1csc(NC(=O)NCC2CCCCC2)n1 ZINC000061904044 EH Annotated Anodyne N[C@H](c1ccccc1)c1csc(NC(=O)NCC2CCCCC2)n1 ZINC000061904045 EH Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1 ZINC000061904162 EH Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1 ZINC000061904163 EH Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061904184 EH Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061904185 EH Annotated Anodyne COc1c(C)cc([C@H](O)c2nc(-c3cccc(F)c3)c[nH]2)cc1C ZINC000061904359 EH Annotated Anodyne COc1c(C)cc([C@@H](O)c2nc(-c3cccc(F)c3)c[nH]2)cc1C ZINC000061904360 EH Annotated Anodyne COc1cccc(Nc2nc([C@H](N)Cc3ccccc3)cs2)n1 ZINC000061904513 EH Annotated Anodyne COc1cccc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)n1 ZINC000061904515 EH Annotated Anodyne CC(=O)N[C@@H](c1ccccc1)c1nc(-c2cccc(C#N)c2)cs1 ZINC000061904743 EH Annotated Mild CC(=O)N[C@H](c1ccccc1)c1nc(-c2cccc(C#N)c2)cs1 ZINC000061904744 EH Annotated Mild CC(=O)c1cccc2c1O[C@H](C)C(=O)N2Cc1ccc(Cl)cc1 ZINC000061904771 EH Annotated Anodyne CC(=O)c1cccc2c1O[C@@H](C)C(=O)N2Cc1ccc(Cl)cc1 ZINC000061904772 EH Annotated Anodyne CSc1ccc(CN2C(=O)[C@@H](C)ON=C2c2ccccc2F)cc1 ZINC000061905212 EH Annotated Anodyne CSc1ccc(CN2C(=O)[C@H](C)ON=C2c2ccccc2F)cc1 ZINC000061905213 EH Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000061905381 EH Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000061905382 EH Annotated Anodyne Cc1cnc(C)c(Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)n1 ZINC000061905441 EH Annotated Anodyne Cc1cnc(C)c(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)n1 ZINC000061905442 EH Annotated Anodyne COc1ccc(OC)c([C@H](O)c2ncc(-c3ccccc3Cl)[nH]2)c1 ZINC000061905479 EH Annotated Anodyne COc1ccc(OC)c([C@@H](O)c2ncc(-c3ccccc3Cl)[nH]2)c1 ZINC000061905480 EH Annotated Anodyne Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)C2CCCCC2)cc1C ZINC000061905655 EH Annotated Anodyne Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)C2CCCCC2)cc1C ZINC000061905656 EH Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000061905770 EH Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000061905771 EH Annotated Anodyne COc1ccccc1-c1c[nH]c([C@@H](O)c2cc(C)c(OC)c(C)c2)n1 ZINC000061905873 EH Annotated Anodyne COc1ccccc1-c1c[nH]c([C@H](O)c2cc(C)c(OC)c(C)c2)n1 ZINC000061905874 EH Annotated Anodyne COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(SC)cc2)n1 ZINC000061905947 EH Annotated Anodyne COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(SC)cc2)n1 ZINC000061905948 EH Annotated Anodyne CN(C)CCNC(=O)c1cccc2c(-c3ccc(F)c(F)c3)coc12 ZINC000061906046 EH Annotated Anodyne Cc1oc(-c2cccs2)cc1C(=O)N1CCC[C@@](C)(C(=O)O)C1 ZINC000061906180 EH Annotated Anodyne Cc1oc(-c2cccs2)cc1C(=O)N1CCC[C@](C)(C(=O)O)C1 ZINC000061906181 EH Annotated Anodyne COc1ccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)cn1 ZINC000061906417 EH Annotated Anodyne COc1ccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)cn1 ZINC000061906418 EH Annotated Anodyne COc1ccc(-c2nc(NCCN(C)C)nc3ccsc23)c(C)c1 ZINC000061906538 EH Annotated Anodyne COc1cccc(-c2c[nH]c([C@H](O)c3ccc(SC)cc3)n2)c1 ZINC000061906809 EH Annotated Anodyne COc1cccc(-c2c[nH]c([C@@H](O)c3ccc(SC)cc3)n2)c1 ZINC000061906810 EH Annotated Anodyne Cc1cnc(C)c(Nc2nc([C@H](N)Cc3ccccc3)cs2)n1 ZINC000061907205 EH Annotated Anodyne Cc1cnc(C)c(Nc2nc([C@@H](N)Cc3ccccc3)cs2)n1 ZINC000061907206 EH Annotated Anodyne CCCCN(C)C(=O)c1sc(=O)n(Cc2c(C)cccc2C)c1C ZINC000061907273 EH Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000061907460 EH Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000061907461 EH Annotated Anodyne O=C(NCC1CCOCC1)c1cccc2c(-c3cccnc3)coc12 ZINC000061907558 EH Annotated Anodyne Cc1cc(C)nc(Nc2nc([C@H](N)CCc3ccccc3)cs2)n1 ZINC000061907647 EH Annotated Anodyne Cc1cc(C)nc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)n1 ZINC000061907648 EH Annotated Anodyne CCc1cnc(Nc2nc([C@H](N)c3ccccc3Cl)cs2)nc1 ZINC000061908033 EH Annotated Anodyne CCc1cnc(Nc2nc([C@@H](N)c3ccccc3Cl)cs2)nc1 ZINC000061908035 EH Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000061908053 EH Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000061908054 EH Annotated Anodyne COc1ccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)cn1 ZINC000061908080 EH Annotated Anodyne COc1ccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)cn1 ZINC000061908081 EH Annotated Anodyne COCCNC(=O)c1ccc(-c2ccc(OC)cc2C)c2ccoc12 ZINC000061908127 EH Annotated Anodyne CNC(=O)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061908357 EH Annotated Anodyne CNC(=O)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061908358 EH Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061908580 EH Annotated Anodyne O=C(NCc1ccccc1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061908581 EH Annotated Anodyne COc1cccc(Nc2nc([C@H](N)CCc3ccccc3)cs2)n1 ZINC000061908620 EH Annotated Anodyne COc1cccc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)n1 ZINC000061908621 EH Annotated Anodyne CNc1nc(NCCOc2ccccc2Cl)c2sccc2n1 ZINC000061908768 EH Annotated Anodyne Cc1c(Br)cccc1NC(=O)[C@]1(C)CCN1C(C)C ZINC000061908862 EH Annotated Anodyne Cc1c(Br)cccc1NC(=O)[C@@]1(C)CCN1C(C)C ZINC000061908863 EH Annotated Anodyne c1ccc(OCCNc2ccn3nc(-c4cccs4)cc3n2)cc1 ZINC000061908937 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1=O ZINC000061920906 EH Annotated Anodyne CN1CCN(c2ccc3sc(-n4ccc5ccccc54)nc3c2)CC1 ZINC000061920909 EH Annotated Anodyne CC(C)(C)C(=O)OCc1ccc(C2=CC(=O)CC(C)(C)C2=O)cc1 ZINC000061921081 EH Annotated Mild CC1(C)CC(=O)C=C(c2ccc(COC(=O)c3ccccc3)cc2)C1=O ZINC000061921090 EH Annotated Mild CSc1ncnc2c1ncn2CCCNc1ccc(C)c(C)c1 ZINC000061922488 EH Annotated Anodyne CC1(C)CN(Cc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000061923221 EH Annotated Anodyne CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000061924040 EH Annotated Anodyne CN1OC[C@@H]2CN[C@H](c3ccc(-c4cc5ccccc5o4)cc3)C[C@@H]21 ZINC000061924045 EH Annotated Anodyne c1ccc(CN2CC[C@H]3C[C@@H]2c2ccc(N4CCOCC4)cc23)cc1 ZINC000061924061 EH Annotated Clean O=C(O)c1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1 ZINC000061925552 EH Annotated Anodyne O=C(O)c1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1 ZINC000061925553 EH Annotated Anodyne O=C(Nc1ccccc1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061925876 EH Annotated Anodyne O=C(Nc1ccccc1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061925877 EH Annotated Anodyne NC(=O)c1cccc(-c2csc([C@H](O)c3cccc(Cl)c3)n2)c1 ZINC000061925933 EH Annotated Anodyne NC(=O)c1cccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)c1 ZINC000061925934 EH Annotated Anodyne COc1cc([C@H](O)c2nc(-c3cccc(C#N)c3)cs2)ccc1F ZINC000061925938 EH Annotated Mild COc1cc([C@@H](O)c2nc(-c3cccc(C#N)c3)cs2)ccc1F ZINC000061925939 EH Annotated Mild COc1ccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)cn1 ZINC000061925945 EH Annotated Anodyne COc1ccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)cn1 ZINC000061925946 EH Annotated Anodyne Cc1c(C(=O)N2CCC[C@@]2(C)C(=O)NCC(C)C)oc2ccccc12 ZINC000061926040 EH Annotated Anodyne Cc1c(C(=O)N2CCC[C@]2(C)C(=O)NCC(C)C)oc2ccccc12 ZINC000061926041 EH Annotated Anodyne O=C(O)c1cccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)c1 ZINC000061926236 EH Annotated Anodyne O=C(O)c1cccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)c1 ZINC000061926237 EH Annotated Anodyne COc1cccc(-c2c[nH]c([C@H](O)c3ccc(Cl)c(F)c3)n2)c1 ZINC000061926383 EH Annotated Anodyne COc1cccc(-c2c[nH]c([C@@H](O)c3ccc(Cl)c(F)c3)n2)c1 ZINC000061926384 EH Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(-c3cccc(C#N)c3)cs2)cc1 ZINC000061926966 EH Annotated Mild COc1ccc([C@](C)(O)c2nc(-c3cccc(C#N)c3)cs2)cc1 ZINC000061926967 EH Annotated Mild Cc1cc(C)nc(Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)n1 ZINC000061927044 EH Annotated Anodyne Cc1cc(C)nc(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)n1 ZINC000061927045 EH Annotated Anodyne COc1cccc(Nc2nc([C@H](N)c3ccccc3Cl)cs2)n1 ZINC000061928393 EH Annotated Anodyne COc1cccc(Nc2nc([C@@H](N)c3ccccc3Cl)cs2)n1 ZINC000061928395 EH Annotated Anodyne Cc1ccsc1C(=O)N1CCCCC[C@@]1(C)C(=O)NCC(C)C ZINC000061928649 EH Annotated Anodyne Cc1ccsc1C(=O)N1CCCCC[C@]1(C)C(=O)NCC(C)C ZINC000061928650 EH Annotated Anodyne COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000061928789 EH Annotated Anodyne COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000061928791 EH Annotated Anodyne COc1cccc(-c2cnc3c(NC=O)cc(-c4ccncc4)cn23)c1 ZINC000061929034 EH Annotated Anodyne COc1ccc(-c2csc([C@H](O)c3cccc(Cl)c3)n2)cn1 ZINC000061929321 EH Annotated Anodyne COc1ccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)cn1 ZINC000061929322 EH Annotated Anodyne C[C@@]1(Cc2ccccc2C#N)C(=O)Nc2ccc(OC(F)(F)F)cc21 ZINC000061929539 EH Annotated Mild C[C@]1(Cc2ccccc2C#N)C(=O)Nc2ccc(OC(F)(F)F)cc21 ZINC000061929542 EH Annotated Mild C=CCOc1cccn2c(N(C=O)Cc3ccccc3)c(CC)nc12 ZINC000061929648 EH Annotated Mild CCCNC(=O)[C@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061930239 EH Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061930241 EH Annotated Anodyne c1ccc(OCCNc2ccn3nc(-c4ccccc4)cc3n2)cc1 ZINC000061930321 EH Annotated Anodyne C[C@@](O)(c1ccccc1)c1nc(-c2cccc(C(=O)O)c2)cs1 ZINC000061930339 EH Annotated Anodyne C[C@](O)(c1ccccc1)c1nc(-c2cccc(C(=O)O)c2)cs1 ZINC000061930340 EH Annotated Anodyne N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2cnccn2)n1 ZINC000061930359 EH Annotated Anodyne N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2cnccn2)n1 ZINC000061930360 EH Annotated Anodyne COc1cccc(Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)n1 ZINC000061930397 EH Annotated Anodyne COc1cccc(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)n1 ZINC000061930400 EH Annotated Anodyne CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1cccc(OC(C)C)c1 ZINC000061930580 EH Annotated Anodyne CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1cccc(OC(C)C)c1 ZINC000061930582 EH Annotated Anodyne COCCNc1nc(NCc2ccccc2F)c2sccc2n1 ZINC000061930590 EH Annotated Anodyne Cn1nccc1-c1coc2c(C(=O)NCc3ccccc3)cccc12 ZINC000061930857 EH Annotated Anodyne Cc1cc(C)nc(Nc2nc([C@H](N)Cc3ccccc3)cs2)n1 ZINC000061930862 EH Annotated Anodyne Cc1cc(C)nc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)n1 ZINC000061930863 EH Annotated Anodyne CCC(CC)CN1CCC(CN2C(=S)NC[C@@H]2CC(C)C)CC1 ZINC000061936106 EH Annotated Anodyne CCC(CC)CN1CCC(CN2C(=S)NC[C@@H]2[C@@H](C)CC)CC1 ZINC000061936137 EH Annotated Anodyne CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCC(C)(C)C)CC1 ZINC000061936141 EH Annotated Anodyne COc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2C)c1 ZINC000061942312 EH Annotated Anodyne c1ccc(CCc2ccc3n2Cc2cnnn2-c2ccccc2-3)cc1 ZINC000061942383 EH Annotated Clean Cc1nn(-c2nccs2)c2c1C(=O)CC(C)(C)[C@H]2Br ZINC000061942797 EH Annotated Reactive Cc1nn(-c2nccs2)c2c1C(=O)CC(C)(C)[C@@H]2Br ZINC000061942799 EH Annotated Reactive Cc1ccc(-n2nc(C)c3c2[C@@H](Br)C(C)(C)CC3=O)nc1 ZINC000061942803 EH Annotated Reactive Cc1ccc(-n2nc(C)c3c2[C@H](Br)C(C)(C)CC3=O)nc1 ZINC000061942805 EH Annotated Reactive Cc1nn(-c2ccncc2)c2c1C(=O)CC(C)(C)[C@H]2Br ZINC000061942806 EH Annotated Reactive Cc1nn(-c2ccncc2)c2c1C(=O)CC(C)(C)[C@@H]2Br ZINC000061942808 EH Annotated Reactive CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccccc2)c1 ZINC000061943081 EH Annotated Anodyne COc1ccc(-c2ccc3n2Cc2cnnn2-c2ccccc2-3)cc1 ZINC000061943132 EH Annotated Anodyne O=C(NN1CCOCC1)c1c(-c2ccccc2)sc2ccccc12 ZINC000061948009 EH Annotated Anodyne Cc1ccc2c(c1)-n1c(nc3ccccc3c1=O)[C@H](CC(C)C)NC2=O ZINC000061949346 EH Annotated Anodyne Cc1ccc2c(c1)-n1c(nc3ccccc3c1=O)[C@@H](CC(C)C)NC2=O ZINC000061949348 EH Annotated Anodyne O=C1C[C@@H](c2ccccc2)OC(=O)[C@H]1SCCc1ccccc1 ZINC000061959292 EH Annotated Anodyne CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)OCC(C)C ZINC000617955665 EH Annotated Clean CC1=NC(=S)N[C@@H](c2ccc(N(C)C)cc2)/C1=C(/O)OCC(C)C ZINC000617955666 EH Annotated Clean CCCCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000617960013 EH Annotated Clean CCCCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(N(C)C)cc1 ZINC000617960014 EH Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccccn1 ZINC000617960022 EH Annotated Clean COc1ccccc1OCC(=O)N=Nc1c(O)[nH]c2ccc(F)cc12 ZINC000617960042 EH Annotated Clean COc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccc(C)cc23)cc1 ZINC000617960044 EH Annotated Clean COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3ccc(F)cc23)cc1 ZINC000617960071 EH Annotated Clean Cc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccc(F)cc23)cc1 ZINC000617960095 EH Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1[C@H]2CCCC[C@H]21 ZINC000617960125 EH Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@@H]2CCCC[C@@H]12 ZINC000617960126 EH Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@H]2CCCC[C@H]12 ZINC000617960127 EH Annotated Clean CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1c(OC)ccc2ccccc12 ZINC000617965013 EH Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1c(OC)ccc2ccccc12 ZINC000617965016 EH Annotated Anodyne COc1ccc2[nH]c(O)c(N=NS(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000617980975 EH Annotated Clean CCOc1ccc(/C=C/C(O)=C2\C(=O)Oc3ccccc3C2=O)cc1 ZINC000617985327 EH Annotated Mild O=C1Oc2ccccc2C(=O)/C1=C(O)/C=C/c1c[nH]c2ccccc12 ZINC000617985331 EH Annotated Mild Cc1cc(C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)n[nH]1 ZINC000617989184 EH Annotated Clean CCC/N=c1\c(NC(=O)Cc2ccccc2)c(O)oc2ccccc12 ZINC000617996281 EH Annotated Anodyne CC/N=c1\c(NC(=O)c2c(F)cccc2F)c(O)oc2ccccc12 ZINC000617997474 EH Annotated Anodyne C/N=c1\c(NC(=O)c2ccccc2Cl)c(O)oc2ccccc12 ZINC000618000446 EH Annotated Anodyne CN(C)CCSSCCC(=O)Nc1ccc(Cl)cc1F ZINC000618007535 EH Annotated Reactive Cc1cc2cc(NC(=O)CCSSCCN(C)C)ccc2[nH]1 ZINC000618007539 EH Annotated Reactive Cc1cc(NC(=O)NCCSSCCN(C)C)ccc1Cl ZINC000618007631 EH Annotated Reactive Cc1ccc(NC(=O)NCCSSCCN(C)C)cc1Cl ZINC000618007649 EH Annotated Reactive Cc1ccc(Cl)c(NC(=O)NCCSSCCN(C)C)c1 ZINC000618008001 EH Annotated Reactive N#CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000618008544 EH Annotated Mild CN(C)CCSSCCNC(=O)c1cc2ccccc2s1 ZINC000618009484 EH Annotated Reactive CN(C)CCSSCCn1cc(-c2cccc(Cl)c2)nn1 ZINC000618009626 EH Annotated Reactive Cc1ccccc1-c1cn(CCCSSCCN(C)C)nn1 ZINC000618010367 EH Annotated Reactive Cc1cccc(C)c1-c1cn(CCSSCCN(C)C)nn1 ZINC000618010377 EH Annotated Reactive Cc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)cc2O)c1C ZINC000618012073 EH Annotated Anodyne CN(C)CCSSCCn1cc(-c2ccc(Cl)cc2)nn1 ZINC000618012461 EH Annotated Reactive CN(C)CCSSCCn1cc(-c2ccccc2Cl)nn1 ZINC000618012495 EH Annotated Reactive CCn1c(C/N=C\c2c(O)nc(O)c3ccccc23)nc2ccccc21 ZINC000618013903 EH Annotated Mild C[C@H](c1ccccc1)n1c(NC(=O)C2=NC(=O)N=N2)nc2ccccc21 ZINC000618014672 EH Annotated Anodyne C[C@@H](c1ccccc1)n1c(NC(=O)C2=NC(=O)N=N2)nc2ccccc21 ZINC000618014677 EH Annotated Anodyne CCc1cc(OC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1Cl ZINC000618016112 EH Annotated Anodyne CCc1cc(OC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000618016113 EH Annotated Anodyne CCc1cc(OC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1Cl ZINC000618016114 EH Annotated Anodyne CCc1cc(OC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000618016115 EH Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1 ZINC000618016584 EH Annotated Clean CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1 ZINC000618016587 EH Annotated Clean Oc1ccccc1CN=c1cc2oc(Cc3ccccc3)nc2c[nH]1 ZINC000621430173 EH Annotated Clean Cn1ncc2cc(-c3cccnc3NCc3ccccc3O)ccc21 ZINC000621430384 EH Annotated Clean Cc1c(CCC#N)c(O)n2c(nc3cc(C(F)(F)F)ccc32)c1C#N ZINC000621430805 EH Annotated Mild CCCc1cc(N=c2cc[nH][nH]2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000621432754 EH Annotated Anodyne COc1ccc(Cl)cc1/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12 ZINC000621471728 EH Annotated Bother O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/c1cc(Cl)ccc1O ZINC000621471739 EH Annotated Clean CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cc(C(C)C)c(OC)cc1C ZINC000621474195 EH Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc(C(C)C)c(OC)cc1C ZINC000621474196 EH Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1c(Cl)cccc1Cl ZINC000621475068 EH Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1c(Cl)cccc1Cl ZINC000621475069 EH Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OC)c2ccccc12 ZINC000621475491 EH Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(OC)c2ccccc12 ZINC000621475492 EH Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cccc(Cl)c1Cl ZINC000621475495 EH Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cccc(Cl)c1Cl ZINC000621475496 EH Annotated Anodyne Cc1nn(C[C@H](C)C(=O)Oc2ccccc2)c(C)c1Br ZINC000621476575 EH Annotated Anodyne Cc1nn(C[C@@H](C)C(=O)Oc2ccccc2)c(C)c1Br ZINC000621476576 EH Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1[S@](=O)Cc1ccccc1 ZINC000621477597 EH Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1[S@@](=O)Cc1ccccc1 ZINC000621477601 EH Annotated Bother Cc1cccc(-n2ncc3c(N(C)CCc4ccccc4)ncnc32)c1 ZINC000621477790 EH Annotated Anodyne CCc1ccc2oc(C(=O)N=c3nc(C(C)C)[nH]s3)c(C)c2c1 ZINC000621485644 EH Annotated Anodyne Clc1ccc2c(c1)Oc1cc(Cl)ccc1N2CCc1nn[nH]n1 ZINC000621485889 EH Annotated Clean Cc1cc(=O)[nH]c2[nH]nc(-c3cccc(-c4cccc(C#N)c4)c3)c12 ZINC000063539311 EH Annotated Mild Cc1cc(=O)[nH]c2[nH]nc(-c3cccc(-c4ccc(C#N)cc4)c3)c12 ZINC000063539480 EH Annotated Mild CCN1c2cc(N)ccc2-c2ccc(N)cc2[C@]1(O)c1ccccc1 ZINC000063539690 EH Annotated Anodyne CCN1c2cc(N)ccc2-c2ccc(N)cc2[C@@]1(O)c1ccccc1 ZINC000063539692 EH Annotated Anodyne Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1 ZINC000063540353 EH Annotated Anodyne CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 ZINC000064235785 EH Annotated Clean CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 ZINC000064235786 EH Annotated Clean CO[C@@H]1CC=C2N(c3ccc(C)cc3)C(=O)C[C@]2(c2ccccc2)O1 ZINC000064237818 EH Annotated Anodyne Cc1ccccc1CN1CCN(C/C=C\c2ccccc2)CCC1=O ZINC000064264585 EH Annotated Anodyne CCCC/C=C\C#CC#CCCCCC[C@H](O)C(=O)NCC(C)C ZINC000064274690 EH Annotated Mild CNCC[C@@H](c1ccc2ccccc2c1)n1nnc(-c2ccccc2)n1 ZINC000064353907 EH Annotated Anodyne N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccccc1 ZINC000064361289 EH Annotated Reactive C=C1CCCC(C)(C)[C@H]1CC[C@@](C)(O)CC[C@@H](O)[C@@H](C)C(=O)OC ZINC000064373158 EH Annotated Mild C=C1C(CCCC)=C(C#N)C(=O)N1c1cc(OC)c(OC)c(OC)c1 ZINC000064394328 EH Annotated Reactive CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2ccccc2Cl)n1 ZINC000064399529 EH Annotated Anodyne COc1cccc(CNCc2coc(-c3cccs3)n2)c1OC ZINC000064412035 EH Annotated Anodyne COc1ccc(CNCc2coc(-c3cccs3)n2)c(OC)c1 ZINC000064412040 EH Annotated Anodyne COc1cc(CNCc2coc(-c3cccs3)n2)cc(OC)c1 ZINC000064412105 EH Annotated Anodyne CC(=O)Oc1ccccc1Cc1cc(CCCl)ccc1OC(C)=O ZINC000064415782 EH Annotated Reactive COc1cccc2c1Nc1c(c(=O)[nH]c3c(OC)cccc13)S2 ZINC000064417075 EH Annotated Anodyne O=C(O)C1CN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 ZINC000064446477 EH Annotated Anodyne O=C(O)C1CN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 ZINC000064446479 EH Annotated Anodyne CSc1ccc(Cc2nn(CN3CCCCC3)c(=S)o2)cc1 ZINC000064446873 EH Annotated Anodyne CC(C)c1csc(-c2nnc3n2N[C@H](c2ccc(O)cc2)S3)n1 ZINC000064448013 EH Annotated Anodyne CC(C)c1csc(-c2nnc3n2N[C@@H](c2ccc(O)cc2)S3)n1 ZINC000064448015 EH Annotated Anodyne NCCNc1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12 ZINC000064448069 EH Annotated Anodyne COc1cccc(-c2nc3c(NCc4ccncc4)nccc3[nH]2)c1F ZINC000064448210 EH Annotated Anodyne CCOc1ccc(-c2cncc(C(=O)NCc3ccccc3C)n2)cc1 ZINC000064448241 EH Annotated Anodyne CC[C@H]1S/C(=N/N=C(\C)CSc2ccc(Cl)cc2)NC1=O ZINC000064448565 EH Annotated Mild CC[C@@H]1S/C(=N/N=C(\C)CSc2ccc(Cl)cc2)NC1=O ZINC000064448567 EH Annotated Mild O=C(O)C1CN([C@H]2CC[C@@]3(Cc4ccccc4Oc4ccccc43)C2)C1 ZINC000064448818 EH Annotated Anodyne O=C(O)C1CN([C@H]2CC[C@]3(Cc4ccccc4Oc4ccccc43)C2)C1 ZINC000064448819 EH Annotated Anodyne O=C(O)C1CN([C@@H]2CC[C@@]3(Cc4ccccc4Oc4ccccc43)C2)C1 ZINC000064448820 EH Annotated Anodyne O=C(O)C1CN([C@@H]2CC[C@]3(Cc4ccccc4Oc4ccccc43)C2)C1 ZINC000064448821 EH Annotated Anodyne Fc1ccc(-c2cc3c(ncn4ncnc34)n2-c2ccccc2)cc1 ZINC000064453362 EH Annotated Anodyne O=C1Cc2ccccc2N1[C@@H]1C[C@@H]2C[C@H](C1)N(Cc1ccccc1)C2 ZINC000064453486 EH Annotated Anodyne CC(C)(C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=O)cc1 ZINC000064453679 EH Annotated Anodyne Clc1ccc(-c2cc3c(ncn4nnnc34)n2-c2ccccc2)cc1 ZINC000064453902 EH Annotated Anodyne Nc1nnc2c3ccccc3c(Oc3ccc(Cl)cc3Cl)nn12 ZINC000064453968 EH Annotated Anodyne COc1cc2c(cc1OC1CC1)C=C(/C=C/C(=O)NCC(C)C)CC2 ZINC000064503777 EH Annotated Anodyne CCN(CCc1ccccc1)Cc1c(O)ccc2c(=O)cc(C)oc12 ZINC000064510406 EH Annotated Clean O=C(/C=C/c1ccco1)Nc1ccc(N2CCCCC2)c(C(=O)O)c1 ZINC000064510685 EH Annotated Anodyne COc1ccc2cc(-c3ccc([C@]4(O)CN(C)CCO4)cc3)ccc2c1 ZINC000064512316 EH Annotated Anodyne COc1ccc2cc(-c3ccc([C@@]4(O)CN(C)CCO4)cc3)ccc2c1 ZINC000064512317 EH Annotated Anodyne CC(=O)O[C@]1(C#Cc2cccc3ccccc23)C[C@@H](C)N(C)C[C@H]1C ZINC000064512620 EH Annotated Mild CC(=O)O[C@]1(C#Cc2cccc3ccccc23)C[C@H](C)N(C)C[C@H]1C ZINC000064512622 EH Annotated Mild CC(=O)O[C@@]1(C#Cc2cccc3ccccc23)C[C@@H](C)N(C)C[C@H]1C ZINC000064512624 EH Annotated Mild CC(=O)O[C@@]1(C#Cc2cccc3ccccc23)C[C@H](C)N(C)C[C@H]1C ZINC000064512626 EH Annotated Mild O=c1c2c3c(sc2nnn1-c1ccc(F)c(Cl)c1)CCCC3 ZINC000064516759 EH Annotated Anodyne CCCc1cc(=O)oc2c(C)c(OCc3nnc(SC)o3)ccc12 ZINC000064521230 EH Annotated Anodyne C[C@@H]1CN2[C@H](c3ccc(Br)cc3)[C@H](C)CC[C@@H]2C(=O)O1 ZINC000064539369 EH Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)O[C@H](C)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064539370 EH Annotated Anodyne C[C@@H]1CN2[C@@H](CC[C@@H](C)[C@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000064539371 EH Annotated Anodyne Cc1cc(OC(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2 ZINC000064540014 EH Annotated Anodyne Cc1cc(OC(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 ZINC000064540015 EH Annotated Anodyne CCCCc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 ZINC000064540030 EH Annotated Anodyne N#Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1 ZINC000064540860 EH Annotated Mild COc1cc2[nH]c(C)c(/C=C/C(=O)OC(C)(C)C)c(=O)c2cc1Cl ZINC000064541150 EH Annotated Anodyne CCCCSc1nncc(-c2cnnc(SCCCC)n2)n1 ZINC000064548339 EH Annotated Anodyne Clc1ccc(C2=NN3C(c4ccccc4)=NN[C@H]3S2)c(Cl)c1 ZINC000064548774 EH Annotated Anodyne Clc1ccc(C2=NN3C(c4ccccc4)=NN[C@@H]3S2)c(Cl)c1 ZINC000064548775 EH Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccccc1)c1ccc(O)cc1 ZINC000064549476 EH Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccccc1)c1ccc(O)cc1 ZINC000064549477 EH Annotated Anodyne CC(C)(C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 ZINC000064549664 EH Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)cc1 ZINC000064549962 EH Annotated Mild O=C1OC[C@@H](COC(=O)c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000064550015 EH Annotated Anodyne O=C1OC[C@H](COC(=O)c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000064550016 EH Annotated Anodyne COc1ccc2c(c1)/C(=N\OCCN(C)C)c1c-2cnc2ccccc12 ZINC000064553339 EH Annotated Mild COc1cc2c(cc1OC)CCC(/C=C/C(=O)N1CCCCC1)=C2 ZINC000064553704 EH Annotated Anodyne C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CC[C@H]2C[C@@]2(C)C1=C(O)C3=O ZINC000064559168 EH Annotated Mild O=C1OC[C@@H](COC(=O)c2ccccc2)C=C1c1cccc(Cl)c1 ZINC000064559271 EH Annotated Anodyne O=C1OC[C@H](COC(=O)c2ccccc2)C=C1c1cccc(Cl)c1 ZINC000064559272 EH Annotated Anodyne CN(C)Cc1c(O)ccc2c1nc(CSc1ccccc1)n2C ZINC000064559304 EH Annotated Clean O=c1[nH]ccc2nc(N3CCC(F)(F)C3)c(-c3ccc(F)cc3)cc12 ZINC000064559451 EH Annotated Anodyne N#Cc1ccc2[nH]c3c(c2c1)CCC[C@@]3(O)C(F)(F)C(F)(F)F ZINC000064560120 EH Annotated Mild N#Cc1ccc2[nH]c3c(c2c1)CCC[C@]3(O)C(F)(F)C(F)(F)F ZINC000064560122 EH Annotated Mild O=C1c2ccccc2CC[C@]12[C@H]1c3ccccc3OC[C@H]1N1CCC[C@@H]12 ZINC000064573556 EH Annotated Anodyne CCOc1ccc2/c(=N\N=C/c3ccccc3OC)cc(C)[nH]c2c1 ZINC000064574010 EH Annotated Mild O=[N+]([O-])c1ccccc1/C=N\N=c1\c2c([nH]c3ccccc13)CCCC2 ZINC000064599917 EH Annotated Mild O=S1(=O)N=C(Oc2cccc(-c3ccccc3)c2)c2ccccc21 ZINC000064621983 EH Annotated Anodyne CCOc1ccc2/c(=N\N=C/c3cccc(OC)c3)cc(C)[nH]c2c1 ZINC000064622089 EH Annotated Mild C[C@@H](CCC[C@](C)(O)CCC[C@@H](C)CO)CCC(=O)[C@@H](C)CCO ZINC000064624812 EH Annotated Anodyne in-vitro C[C@@H](CCO)C(=O)CC[C@H](C)CCC[C@](C)(O)CCC[C@@H](C)CO ZINC000064624813 EH Annotated Anodyne in-vitro C[C@@H](CCC[C@@](C)(O)CCC[C@@H](C)CO)CCC(=O)[C@@H](C)CCO ZINC000064624815 EH Annotated Anodyne in-vitro C[C@@H](CCO)C(=O)CC[C@H](C)CCC[C@@](C)(O)CCC[C@@H](C)CO ZINC000064624816 EH Annotated Anodyne in-vitro Clc1ccc(-n2nnc(-c3cc4ccccc4nc3Cl)n2)cn1 ZINC000064658234 EH Annotated Anodyne Cn1nnc2cc(-c3noc(-c4ccccc4C(F)(F)F)n3)ccc21 ZINC000064979890 EH Annotated Anodyne c1ccc2c3nc[nH]c(N4CCN(C5CCCCC5)CC4)c-3nc2c1 ZINC000006504368 EH Annotated Anodyne N#C[C@H](C(=O)CSc1ccccn1)c1nc2ccccc2s1 ZINC000006508798 EH Annotated Mild CCc1c(O)cc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=O ZINC000006519468 EH Annotated Anodyne Cc1oc(-c2ccc(C(=N)N)cc2)c(C)c1-c1ccc(C(=N)N)cc1 ZINC000006520437 EH Annotated Anodyne COCc1cc(O)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000006520484 EH Annotated Anodyne Cc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)[C@@H](C)[C@H]4O)OC(C)(C)C=C3 ZINC000006521488 EH Annotated Anodyne Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O ZINC000006521490 EH Annotated Anodyne Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@@H](C)N ZINC000006522021 EH Annotated Anodyne COc1cc2[nH]c(=O)c3cc(C)cc4c(Cl)nc(c1OC)c2c43 ZINC000006522247 EH Annotated Bother O=C1Nc2c(F)cc(F)c(F)c2[C@@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524298 EH Annotated Mild O=C1Nc2c(F)cc(F)c(F)c2[C@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524299 EH Annotated Mild O=C1Nc2cc(F)c(F)c(F)c2[C@@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524583 EH Annotated Mild O=C1Nc2cc(F)c(F)c(F)c2[C@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524584 EH Annotated Mild O=C1Nc2ccc(F)c(Cl)c2[C@](C#CC2CC2)(C(F)(F)F)N1 ZINC000006525006 EH Annotated Mild O=C1Nc2ccc(Cl)c(F)c2[C@](C#CC2CC2)(C(F)(F)F)N1 ZINC000006525007 EH Annotated Mild O=C1Nc2ccc(F)c(Cl)c2[C@@](C#CC2CC2)(C(F)(F)F)N1 ZINC000006525011 EH Annotated Mild O=C1Nc2ccc(Cl)c(F)c2[C@@](C#CC2CC2)(C(F)(F)F)N1 ZINC000006525012 EH Annotated Mild O=C1Nc2ccc(F)c(F)c2[C@](C#Cc2ccoc2)(C(F)(F)F)O1 ZINC000006525015 EH Annotated Mild O=C1Nc2ccc(F)c(F)c2[C@@](C#Cc2ccoc2)(C(F)(F)F)O1 ZINC000006525020 EH Annotated Mild O=C1Nc2ccc(Cl)c3c2[C@](C(F)(F)F)(C=C(C2CC2)O3)N1 ZINC000006525339 EH Annotated Anodyne O=C1Nc2ccc(F)c(F)c2[C@](C#Cc2ccco2)(C(F)(F)F)O1 ZINC000006536655 EH Annotated Mild O=C1Nc2ccc(F)cc2[C@](C#Cc2ccco2)(C(F)(F)F)O1 ZINC000006536660 EH Annotated Mild O=C1Nc2ccc(F)c(F)c2[C@@](C#Cc2ccco2)(C(F)(F)F)O1 ZINC000006536661 EH Annotated Mild O=C1Nc2ccc(F)cc2[C@@](C#Cc2ccco2)(C(F)(F)F)O1 ZINC000006536666 EH Annotated Mild O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1cccs1 ZINC000006543413 EH Annotated Anodyne COc1cc(/N=C/c2c(O)[nH]c3ccccc23)cc(OC)c1OC ZINC000006552996 EH Annotated Mild N#CCCN/N=C(/Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000006554232 EH Annotated Mild O=C1Nc2ccc(Cl)cc2[C@@](C#Cc2nccs2)(C2CC2)N1 ZINC000006567405 EH Annotated Mild O=C1Nc2ccc(Cl)cc2[C@](C#Cc2nccs2)(C2CC2)N1 ZINC000006567430 EH Annotated Mild O=C1Nc2ccc(F)cc2[C@@](C#Cc2ccoc2)(C(F)(F)F)O1 ZINC000006567496 EH Annotated Mild O=C1Nc2ccc(F)cc2[C@](C#Cc2ccoc2)(C(F)(F)F)O1 ZINC000006567503 EH Annotated Mild Oc1ccc(O)c2c1[C@@H](O)CCC21Oc2cccc3cccc(c23)O1 ZINC000006567652 EH Annotated Anodyne N#C[C@H](C(=O)C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000006575687 EH Annotated Mild NC(=S)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000006576119 EH Annotated Anodyne O=C1Nc2ccc(F)cc2[C@](C#Cc2ccccc2)(C(F)(F)F)N1 ZINC000006578451 EH Annotated Mild O=C1Nc2ccc(F)cc2[C@@](C#Cc2ccccc2)(C(F)(F)F)N1 ZINC000006578458 EH Annotated Mild O=[S@@]1c2c(F)c(F)c(F)c(F)c2SN1Cc1ccccc1 ZINC000006579943 EH Annotated Anodyne O=[S@]1c2c(F)c(F)c(F)c(F)c2SN1Cc1ccccc1 ZINC000006579948 EH Annotated Anodyne CCCc1cc(O)n2nc(NCc3ccc(C(C)C)cc3)nc2n1 ZINC000006636454 EH Annotated Anodyne N#Cc1c(SCC(=O)O)nc(-c2cccs2)c2c1CCCC2 ZINC000006702223 EH Annotated Anodyne CNCCC[C@@H]1Cc2cc(F)ccc2N(c2ccc(C)cc2)C1=O ZINC000006716516 EH Annotated Anodyne FC(F)(F)c1cc(-c2cccc(Br)c2)nc2ncnn12 ZINC000006721290 EH Annotated Anodyne CCCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1C ZINC000006724508 EH Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006725239 EH Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006725240 EH Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000006725241 EH Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000006725242 EH Annotated Anodyne CCN(CC)CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000006730549 EH Annotated Anodyne COc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)cc1 ZINC000006732906 EH Annotated Anodyne CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000006733278 EH Annotated Mild CC[C@@H]1CCCCN1CCCNC(=O)c1cc2c(s1)CSC2 ZINC000006736759 EH Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)c1cc2c(s1)CSC2 ZINC000006736760 EH Annotated Anodyne COc1ccc(CN2CNc3c(c(C)nn3-c3ccccc3)C2)cc1 ZINC000006737326 EH Annotated Anodyne CCCn1c(=O)n(-c2ccccc2)c(=O)c2sc3ccccc3c21 ZINC000006739253 EH Annotated Anodyne COc1ccc(Cn2cnc3ncc(-c4ccc(F)cc4)nc32)cc1 ZINC000006744627 EH Annotated Anodyne Cc1nc2c(s1)-c1nc(Nc3ccc(Cl)nc3)ncc1CC2 ZINC000006744730 EH Annotated Anodyne Cc1c(C(=O)NC[C@@H](C)c2ccccc2)oc2c1-c1[nH]ncc1CC2 ZINC000006748384 EH Annotated Anodyne Cc1c(C(=O)NC[C@H](C)c2ccccc2)oc2c1-c1[nH]ncc1CC2 ZINC000006748385 EH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CCC#N)c3n2CCCCC3)cc1 ZINC000006749300 EH Annotated Mild COCCCNC(=O)N[C@H](C)c1c(-n2cccc2)sc(C)c1C ZINC000006750425 EH Annotated Anodyne COCCCNC(=O)N[C@@H](C)c1c(-n2cccc2)sc(C)c1C ZINC000006750426 EH Annotated Anodyne CC1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000006750617 EH Annotated Anodyne Cc1c(C(=O)N2CCCC2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000006750639 EH Annotated Anodyne O=C(Cn1c(-c2cccs2)cc2ccccc21)NC[C@@H]1CCCO1 ZINC000006750733 EH Annotated Anodyne O=C(Cn1c(-c2cccs2)cc2ccccc21)NC[C@H]1CCCO1 ZINC000006750734 EH Annotated Anodyne CCc1nc2ccc(C(=O)N[C@@H](C)Cc3ccco3)cc2nc1CC ZINC000006751099 EH Annotated Anodyne CCc1nc2ccc(C(=O)N[C@H](C)Cc3ccco3)cc2nc1CC ZINC000006751100 EH Annotated Anodyne COCCCNC(=O)c1oc2ccc3c(c2c1C)C=CC(C)(C)O3 ZINC000006768117 EH Annotated Anodyne Cc1nn(C(=O)CCC(=O)NCCC2=CCCCC2)c2ccccc12 ZINC000006768707 EH Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1cc2c(=O)n(C)c3ccccc3c2s1 ZINC000006771884 EH Annotated Anodyne C[C@H]1CCCCN1C(=O)c1cc2c(=O)n(C)c3ccccc3c2s1 ZINC000006771885 EH Annotated Anodyne CC1=C(C(=O)N[C@@H]2CCCc3ccccc32)C2(CCCCC2)OC1=O ZINC000006772384 EH Annotated Anodyne CC1=C(C(=O)N[C@H]2CCCc3ccccc32)C2(CCCCC2)OC1=O ZINC000006772385 EH Annotated Anodyne CC(C)CCNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000006780002 EH Annotated Anodyne Cc1ccc(-c2nnc3n(CC(C)C)c(=O)c4ccccc4n23)s1 ZINC000006781306 EH Annotated Anodyne CCn1c2ccccc2c2nnc(N3CCc4ccccc4C3)nc21 ZINC000006781646 EH Annotated Anodyne CC(C)CN(CC(C)C)c1nnc(NC(=O)NC2CCCC2)s1 ZINC000006793028 EH Annotated Anodyne CNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3 ZINC000006793481 EH Annotated Anodyne CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(C)cc1 ZINC000006798924 EH Annotated Anodyne CN(CCCn1cnc2c([nH]c3ccccc32)c1=O)C1CCCCC1 ZINC000006809310 EH Annotated Anodyne O=C1NC2(CCCCC2)N(C(=O)c2cccs2)C2=C1CCCC2 ZINC000006810807 EH Annotated Anodyne CN(Cc1ccco1)C(=O)c1noc2c1CSc1ccccc1-2 ZINC000006817421 EH Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817590 EH Annotated Anodyne C[C@H]1CCCCN1C(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817591 EH Annotated Anodyne CC1CCN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)CC1 ZINC000006817593 EH Annotated Anodyne C[C@@H]1CCCN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)C1 ZINC000006817597 EH Annotated Anodyne C[C@H]1CCCN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)C1 ZINC000006817599 EH Annotated Anodyne CC(C)CCNC(=O)[C@@H](C)N1C(=O)CC(C)(C)Sc2ccccc21 ZINC000006820353 EH Annotated Anodyne CC(C)CCNC(=O)[C@H](C)N1C(=O)CC(C)(C)Sc2ccccc21 ZINC000006820357 EH Annotated Anodyne COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(C)cc1C ZINC000006820468 EH Annotated Anodyne COC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(C)cc1C ZINC000006820490 EH Annotated Anodyne O=C(NCCC1=CCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000006820959 EH Annotated Anodyne Cc1ccc(Cc2nnc(C(=O)NCCC3=CCCCC3)o2)cc1 ZINC000006822620 EH Annotated Anodyne CC/N=c1\c(NC(=O)C2CCC(C)CC2)c(O)oc2ccccc12 ZINC000006823452 EH Annotated Anodyne O=C1CCSc2c1cccc2C(=O)NCc1cccc(Cl)c1 ZINC000006841653 EH Annotated Anodyne CCC(CC)/N=C(\O)COC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000006848183 EH Annotated Mild Cc1cc(F)ccc1NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O ZINC000006872302 EH Annotated Anodyne Cc1cc(F)ccc1NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC000006872316 EH Annotated Anodyne CN(Cc1ccccc1)C(=O)Nc1noc2c1COc1ccccc1-2 ZINC000006892869 EH Annotated Anodyne Cc1ccc2c(c1)-c1onc(C(=O)N(C)c3ccc(F)cc3)c1CO2 ZINC000006893185 EH Annotated Anodyne Cc1ncc(CO)c(CNc2ccc(Oc3ccccc3)cc2)c1O ZINC000006900478 EH Annotated Anodyne CCC/N=c1\c(NC(=O)c2cccs2)c(O)oc2ccccc12 ZINC000006917509 EH Annotated Anodyne Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1ccccc1F ZINC000006917791 EH Annotated Anodyne CC1CCC(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 ZINC000006929975 EH Annotated Anodyne Cn1cc(NC(=O)NCCC2=CCCCC2)c2ccccc2c1=O ZINC000006931642 EH Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)C2(CCCCCC2)OC1=O ZINC000006933408 EH Annotated Anodyne CCCCN(C)C(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000006939751 EH Annotated Anodyne Cc1oc2ncn3nc(-c4cc(-c5ccc(F)cc5)[nH]n4)nc3c2c1C ZINC000006974069 EH Annotated Anodyne CCc1cc(C(=O)N2c3ccc(F)cc3CC[C@H]2C)c(O)cc1O ZINC000653631626 EH Annotated Anodyne CCc1cc(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)c(O)cc1O ZINC000653631630 EH Annotated Anodyne C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653633712 EH Annotated Anodyne C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653633713 EH Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1C(F)(F)F ZINC000653663438 EH Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1C(F)(F)F ZINC000653663441 EH Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1cccnc1 ZINC000653663481 EH Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1cccnc1 ZINC000653663482 EH Annotated Anodyne O=c1cc(-c2ccc(Cl)cc2)[nH]c2c(Cc3ccccc3)cnn12 ZINC000653663533 EH Annotated Anodyne Cc1coc2ccc(-c3cc(=O)n4ncc(-c5ccccn5)c4[nH]3)cc12 ZINC000653665231 EH Annotated Anodyne O=c1cc(-c2ccc(Cl)cc2F)[nH]c2c(-c3ccccn3)cnn12 ZINC000653666150 EH Annotated Anodyne COc1cccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)c1F ZINC000653666925 EH Annotated Anodyne CCc1nn2cc(-c3nc4ccc(OC(C)C)cc4o3)nc2s1 ZINC000653667574 EH Annotated Anodyne Cc1cc2cc(-c3cc(=O)n4ncc(-c5ccccn5)c4[nH]3)ccc2o1 ZINC000653668356 EH Annotated Anodyne CCOc1ccc2nc(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000653670164 EH Annotated Anodyne O=C(Nc1cnc2cnc(-c3ccsc3)cn12)c1cccs1 ZINC000653671277 EH Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4c(c3)CCO4)[nH]c2c1-c1ccccc1 ZINC000653672744 EH Annotated Anodyne COc1ccc(OC)c2oc(-c3cn4nc(SC)sc4n3)cc12 ZINC000653678248 EH Annotated Anodyne O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2c(O)c(O)ccc12 ZINC000653679171 EH Annotated Clean O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1ccccn1 ZINC000653681811 EH Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1ccccn1 ZINC000653681812 EH Annotated Anodyne COc1cc(OC)c2cc(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000653682408 EH Annotated Anodyne O=c1cc(-c2ccc3cc[nH]c3c2)[nH]c2c(-c3ccccc3)cnn12 ZINC000653685715 EH Annotated Anodyne COc1ncc(-c2cccc3c2NC(=O)/C3=C\c2[nH]c(C)cc2C)cn1 ZINC000653686472 EH Annotated Anodyne COc1cc(-c2nnc3ccc(-c4cccc(F)c4)cn23)ccc1O ZINC000653686924 EH Annotated Anodyne O=C1C=C2C=C(c3cccc(Cl)c3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 ZINC000653687067 EH Annotated Anodyne Oc1nc(CSC(=S)NCc2cccs2)nc2ccccc12 ZINC000653688540 EH Annotated Clean Cc1cccc2nc3c(nc12)-c1ccccc1/C3=N\OCCCN(C)C ZINC000653689046 EH Annotated Mild CC1(O)[C@H]2CC3C[C@H]1CC(NCc1cc(-c4cccs4)on1)(C3)C2 ZINC000653689417 EH Annotated Anodyne C[C@@H](NC(=O)OCCBr)c1nc2ccc(F)cc2s1 ZINC000653689425 EH Annotated Reactive Cc1c(-c2ccc(F)cc2)nn(C)c1C(=O)NCCCCCCS ZINC000653690506 EH Annotated Mild CCn1nc(C(=O)NCCCCCCS)cc1-c1ccc(F)cc1 ZINC000653692156 EH Annotated Mild Cc1cccc2c(O)nc(-c3ccc(CN4CC(N(C)C)C4)cc3)cc12 ZINC000653699238 EH Annotated Anodyne COc1cc(Cn2c3ccccc3c3cc(CO)cnc32)cc(OC)c1 ZINC000653699380 EH Annotated Anodyne Cc1nc(C2=CCOCC2)c2[nH]nc(-c3ccc(Cl)cc3)c2n1 ZINC000653699609 EH Annotated Anodyne CCC(=O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O ZINC000653700238 EH Annotated Clean c1csc(-c2cc(CN[C@@]34C[C@H]5CO[C@@H](C[C@@H](C5)C3)C4)no2)c1 ZINC000653700473 EH Annotated Anodyne c1csc(-c2cc(CNC34CC5C[C@@H](C3)C3(CO3)[C@@H](C5)C4)no2)c1 ZINC000653700538 EH Annotated Anodyne O=C1[C@H]2CC3C[C@H]1CC(NCc1cc(-c4cccs4)on1)(C3)C2 ZINC000653700544 EH Annotated Anodyne O=C1C(=O)c2nc(CNc3ccc(Cl)cc3)oc2-c2ccccc21 ZINC000653700848 EH Annotated Clean O=C(O)[C@H](Cc1ccc(O)cc1)/N=C/C=C/c1ccc(Cl)cc1 ZINC000653705295 EH Annotated Mild CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(C)ccn12 ZINC000653706320 EH Annotated Anodyne Cc1nc(-c2cc3cc(OC(C)C)cc(C#N)c3[nH]2)sc1C(=O)O ZINC000653707154 EH Annotated Mild S=C(NCc1cccnc1)SCCc1nc2ccccc2o1 ZINC000653707994 EH Annotated Clean CC1(C)CCC[C@]2(C)c3c(O)c(O)c4c(c3CC[C@@H]12)C(=O)OCC4 ZINC000653708749 EH Annotated Clean CC1(C)OCc2c(Nc3c[nH]c4ccccc34)nc(-c3cn[nH]c3)nc21 ZINC000653708762 EH Annotated Anodyne OC12C[C@H]3C[C@@H](C1)CC(NCc1cc(-c4cccs4)on1)(C3)C2 ZINC000653710318 EH Annotated Anodyne CCc1noc(-c2cc3c(s2)C(=O)c2c(Cl)cccc2C3=O)n1 ZINC000653713009 EH Annotated Clean CCN(CC)C(=O)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O ZINC000653713034 EH Annotated Clean O=C1c2ccccc2-c2nc3c(CN4CCCCC4)cccc3nc21 ZINC000653713050 EH Annotated Anodyne O=c1c2cc(Cl)cc(Cl)c2ncn1-c1ccc([N+](=O)[O-])cc1 ZINC000653713186 EH Annotated Bother CN1CCN([C@@H](c2cccs2)c2c(O)ccc3ccccc23)CC1 ZINC000653713187 EH Annotated Clean CN1CCN([C@H](c2cccs2)c2c(O)ccc3ccccc23)CC1 ZINC000653713188 EH Annotated Clean CN1CC[C@H](C(=O)c2cncc(-c3ccc(Cl)c(Cl)c3)c2)C1=O ZINC000653717577 EH Annotated Anodyne CN1CC[C@@H](C(=O)c2cncc(-c3ccc(Cl)c(Cl)c3)c2)C1=O ZINC000653717578 EH Annotated Anodyne CN1CC[C@@H](C(=O)c2cncc(-c3ccc(Cl)cc3Cl)c2)C1=O ZINC000653717579 EH Annotated Anodyne CN1CC[C@H](C(=O)c2cncc(-c3ccc(Cl)cc3Cl)c2)C1=O ZINC000653717580 EH Annotated Anodyne CCO[C@H]1C[C@@]2([C@@H](C)O)CCCN3CCc4c(n1c1ccccc41)[C@H]32 ZINC000653720545 EH Annotated Anodyne COc1ccc(-c2c(C#N)c(N)nc3c2C[C@H]2C[C@@H]3C2(C)C)cc1OC ZINC000653720673 EH Annotated Mild C=C1CC[C@H]2[C@@](C)(NC(N)=O)CCC[C@]2(C)[C@H]1CC[C@H](C)CCO ZINC000653720698 EH Annotated Mild CC1=C(C(=O)OC(C)C)[C@H](c2ccoc2)N2C(=N1)Nc1ccccc12 ZINC000653723878 EH Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@@H](c2ccoc2)N2C(=N1)Nc1ccccc12 ZINC000653723879 EH Annotated Anodyne Cc1c(C(=O)/C=C/c2ccccc2)[n+](=O)c2cc(Cl)ccc2n1O ZINC000653723973 EH Annotated Mild CN1CC[C@H](C(=O)c2cncc(-c3cc(Cl)ccc3Cl)c2)C1=O ZINC000653726397 EH Annotated Anodyne CN1CC[C@@H](C(=O)c2cncc(-c3cc(Cl)ccc3Cl)c2)C1=O ZINC000653726398 EH Annotated Anodyne CC(C)COc1cccc(Oc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000653726588 EH Annotated Anodyne CN1CC[C@H](C(=O)c2cncc(-c3cccc(Cl)c3Cl)c2)C1=O ZINC000653729603 EH Annotated Anodyne CN1CC[C@@H](C(=O)c2cncc(-c3cccc(Cl)c3Cl)c2)C1=O ZINC000653729604 EH Annotated Anodyne COc1cc(COc2cc3nccc(C(=O)O)c3[nH]2)ccc1Cl ZINC000653732539 EH Annotated Anodyne COC(=O)c1ccnc2cc(OCc3ccc(Cl)c(OC)c3)[nH]c12 ZINC000653732540 EH Annotated Anodyne O=C(O)[C@H]1CNCC[C@H]1CCC#Cc1ccccc1-c1ccccc1 ZINC000653735560 EH Annotated Mild O=C(O)[C@H]1CNCC[C@H]1CCC#Cc1ccccc1Cc1ccccc1 ZINC000653735569 EH Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@]12C(=O)C=CC[C@H]2c1ccccc1 ZINC000653737410 EH Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@@]12C(=O)C=CC[C@@H]2c1ccccc1 ZINC000653737411 EH Annotated Mild CC1=NN(c2ccccc2)C(=O)[C@@]12C(=O)C=CC[C@H]2c1ccccc1 ZINC000653737412 EH Annotated Mild CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccsc1 ZINC000653737466 EH Annotated Anodyne CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccsc1 ZINC000653737467 EH Annotated Anodyne Cc1cccc(-n2cc(COC(=O)c3cc4ccccc4[nH]3)nn2)c1C ZINC000653738929 EH Annotated Anodyne Cc1cc(C)cc(-n2cc(COC(=O)c3cc4ccccc4[nH]3)nn2)c1 ZINC000653738945 EH Annotated Anodyne O=C(CSc1nc2sccc2c(=O)n1C1CC1)c1cccs1 ZINC000653739210 EH Annotated Anodyne O=C(CSc1nc2sccc2c(=O)n1C1CC1)c1ccccc1 ZINC000653739277 EH Annotated Anodyne O=c1c2ccsc2nc(SC[C@H](O)c2ccccc2)n1C1CC1 ZINC000653740742 EH Annotated Anodyne O=c1c2ccsc2nc(SC[C@@H](O)c2ccccc2)n1C1CC1 ZINC000653740745 EH Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12C(=O)C=CC[C@@H]2c1ccccc1 ZINC000653747439 EH Annotated Mild Cn1c(=O)c(-c2cccs2)nc2c(Cl)c3ncccc3cc21 ZINC000653749407 EH Annotated Bother N#CCn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21 ZINC000653751561 EH Annotated Mild CC(C)(C)n1nnc2c1CC[C@@H](c1nc(C3CCCCC3)no1)C2 ZINC000653751562 EH Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@H](c1nc(C3CCCCC3)no1)C2 ZINC000653751563 EH Annotated Anodyne COc1nn2cc(-c3nc4cc(C(C)(C)C)ccc4o3)nc2s1 ZINC000653753149 EH Annotated Anodyne CN(C)C(=O)c1ccc(-c2cnc3cnc(-c4ccsc4)cn23)cc1 ZINC000653757344 EH Annotated Anodyne CSc1nn2cc(-c3cc4c(OCC#N)cccc4o3)nc2s1 ZINC000653761919 EH Annotated Mild CCOc1cccc2oc(-c3cn4nc(SC)sc4n3)nc12 ZINC000653767406 EH Annotated Anodyne COc1cc(OC)c2c(C)c(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653768331 EH Annotated Anodyne FC(F)(F)c1ccc2c(c1)nnn2C[C@@H]1CCCN2CCCC[C@H]12 ZINC000653775508 EH Annotated Anodyne Cc1cc(C(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F ZINC000653775562 EH Annotated Anodyne CCc1nn2cc(-c3nc4ccc(OCC5CC5)cc4o3)nc2s1 ZINC000653775778 EH Annotated Anodyne Cc1cc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc(C)c1Cl ZINC000653776550 EH Annotated Anodyne CC(C)C1=CC[C@H](CN2C(=O)c3ccccc3C2=O)[C@@]12C=CC(=O)CC2 ZINC000653780522 EH Annotated Mild C[C@@]1(CO)CC[C@@]23C[C@@H]1C[C@H]2CC[C@@H]1[C@@](C)(CO)/C(=N\O)CC[C@]13C ZINC000653782472 EH Annotated Mild CCOc1ccccc1[C@@H]1SCC(=O)Nc2ncc(Cl)cc21 ZINC000653782513 EH Annotated Anodyne CCOc1ccccc1[C@H]1SCC(=O)Nc2ncc(Cl)cc21 ZINC000653782514 EH Annotated Anodyne O=C(NCc1ccccc1)Nc1n[nH]c(-c2ccccn2)c1C1CC1 ZINC000653782778 EH Annotated Anodyne CCOC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 ZINC000653784959 EH Annotated Anodyne C[n+]1ccc2c([nH]c3ccccc32)c1C(=O)c1c[nH]c2ccccc12 ZINC000653785014 EH Annotated Anodyne N#Cc1cc(C(F)(F)F)cc2nc(C(=O)N3CCCCC3)sc12 ZINC000653785035 EH Annotated Mild CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(C#N)c1=O ZINC000653787996 EH Annotated Mild Cc1cc(COc2ccc(F)c(F)c2F)nc(-c2ccccn2)n1 ZINC000653794059 EH Annotated Anodyne Cc1cc(COc2cc(F)cc(F)c2F)nc(-c2ccccn2)n1 ZINC000653794125 EH Annotated Anodyne CC(C)=CCC1=C2OC(C)(C)C[C@@H]3O[C@@]23C(=O)C(C(=O)C(C)C)=C1O ZINC000653795279 EH Annotated Mild CC(C)=CCC1=C2OC(C)(C)C[C@@H]3O[C@]23C(=O)C(C(=O)C(C)C)=C1O ZINC000653795280 EH Annotated Mild CC(C)=CCC1=C2OC(C)(C)C[C@H]3O[C@@]23C(=O)C(C(=O)C(C)C)=C1O ZINC000653795281 EH Annotated Mild CC(C)=CCC1=C2OC(C)(C)C[C@H]3O[C@]23C(=O)C(C(=O)C(C)C)=C1O ZINC000653795282 EH Annotated Mild NCCOc1c(Cl)cc(Nc2cnc3ccccn23)cc1Cl ZINC000653796446 EH Annotated Anodyne Cc1cccc(C[n+]2ccc3c4ccccc4n4c(=O)ccc2c34)c1 ZINC000653796573 EH Annotated Bother COc1ccc(/C=N/Nc2ccc(-c3ccccc3OC)nn2)cc1 ZINC000653796709 EH Annotated Mild CC(C)C1=CC[C@H](C(=O)NCCc2cccs2)[C@@]12C=CC(=O)CC2 ZINC000653797760 EH Annotated Mild O=C(NC12C[C@H]3CC(O)(C[C@@H](C1)c1ccccc13)C2)N1CCCCC1 ZINC000653798386 EH Annotated Anodyne COc1nc2ccccc2cc1/C=C/c1noc(-c2cccnc2)n1 ZINC000653799611 EH Annotated Anodyne Cc1nc2sccn2c1C(=O)Nc1ccc(Br)cc1 ZINC000653801358 EH Annotated Anodyne CC(C)(C)c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000653804910 EH Annotated Bother O=c1ccc2c3c(cc[n+]2Cc2ccc(F)cc2)c2ccccc2n13 ZINC000653806047 EH Annotated Bother Cc1ccccc1C[n+]1ccc2c3ccccc3n3c(=O)ccc1c23 ZINC000653806051 EH Annotated Bother Cc1ccc(C[n+]2ccc3c4ccccc4n4c(=O)ccc2c34)cc1 ZINC000653806061 EH Annotated Bother O=c1ccc2c3c(cc[n+]2Cc2ccccc2F)c2ccccc2n13 ZINC000653806091 EH Annotated Bother O=c1ccc2c3c(cc[n+]2Cc2ccc(F)cc2F)c2ccccc2n13 ZINC000653806221 EH Annotated Bother O=c1ccc2c3c(cc[n+]2Cc2c(F)cccc2F)c2ccccc2n13 ZINC000653806350 EH Annotated Bother Cc1cc(COc2cc(F)c(F)cc2F)nc(-c2ccccn2)n1 ZINC000653808118 EH Annotated Anodyne Cc1cc(COc2cc(F)c(F)c(F)c2)nc(-c2ccccn2)n1 ZINC000653808140 EH Annotated Anodyne Cc1cc(COc2c(F)ccc(F)c2F)nc(-c2ccccn2)n1 ZINC000653808158 EH Annotated Anodyne CO[C@@]12OC(=O)C(C)=C1C=C1CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]1[C@H]2O ZINC000653808306 EH Annotated Anodyne Cc1nc2sc3ccccc3n2c1C(=O)N/N=C/c1ccccc1 ZINC000653813209 EH Annotated Reactive C[C@]1(O)C[C@](c2ccc(C(F)(F)F)cc2)([C@H](O)c2ccccn2)C1 ZINC000653816470 EH Annotated Anodyne C[C@]1(O)C[C@@](c2ccc(C(F)(F)F)cc2)([C@H](O)c2ccccn2)C1 ZINC000653816471 EH Annotated Anodyne C[C@]1(O)C[C@](c2cccc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1 ZINC000653816484 EH Annotated Anodyne C[C@]1(O)C[C@@](c2cccc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1 ZINC000653816486 EH Annotated Anodyne Cc1ccc([C@H](C[N+](=O)[O-])c2c(O)n[nH]c2-c2ccccc2C)cc1 ZINC000653823259 EH Annotated Bother Cc1ccc([C@@H](C[N+](=O)[O-])c2c(O)n[nH]c2-c2ccccc2C)cc1 ZINC000653823262 EH Annotated Bother CC(=O)Nc1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1 ZINC000653823289 EH Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1ccccc1OC ZINC000653823833 EH Annotated Anodyne N=C(N)c1ccc(NN=Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000653823839 EH Annotated Mild CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1ccc(OC)cc1 ZINC000653823863 EH Annotated Anodyne C[C@@]1(c2ccc(OC(F)(F)F)cc2)C[C@@](O)(c2ccccn2)CO1 ZINC000653823879 EH Annotated Anodyne C[C@]1(c2ccc(OC(F)(F)F)cc2)C[C@](O)(c2ccccn2)CO1 ZINC000653823880 EH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)c1cccs1 ZINC000653823881 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(OCC)cc1 ZINC000653823882 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(OCC)cc1 ZINC000653823883 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1ccc(OCC)cc1 ZINC000653823884 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 ZINC000653823896 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC000653823897 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC000653823898 EH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@H]1C(=O)c1cccs1 ZINC000653823899 EH Annotated Anodyne Fc1cccc(F)c1Nc1nc2c(N3CCCC3)ncnc2s1 ZINC000653825377 EH Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCn2ccnn2)cc1O ZINC000653827929 EH Annotated Mild C[C@]1(c2ccc(OC(F)(F)F)cc2)C[C@@](O)(c2ccccn2)CO1 ZINC000653829412 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1OC ZINC000653829441 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1OC ZINC000653829442 EH Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1OC ZINC000653829443 EH Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2OC)[C@H]1C(=O)c1cccs1 ZINC000653829444 EH Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(F)c(F)c(F)c1 ZINC000653829472 EH Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(F)c(F)c(F)c1 ZINC000653829476 EH Annotated Reactive C[C@@]1(c2ccc(OC(F)(F)F)cc2)C[C@](O)(c2ccccn2)CO1 ZINC000653831416 EH Annotated Anodyne CN(Cc1ccc(CN(C)Cc2ccccn2)cc1)Cc1ccccn1 ZINC000653834532 EH Annotated Anodyne CN(Cc1ccncc1)Cc1ccc(CN(C)Cc2ccncc2)cc1 ZINC000653834539 EH Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(NC2CCCCC2)s1 ZINC000653834581 EH Annotated Anodyne Cc1ccc(NCc2nc(O)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000653838711 EH Annotated Anodyne O=C(NCCc1nc(-c2ccccc2F)cs1)c1cccs1 ZINC000653840574 EH Annotated Anodyne O=C(c1nc2cc(C(F)(F)F)ccc2s1)N1CCSCC1 ZINC000653841615 EH Annotated Anodyne Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1 ZINC000653841625 EH Annotated Anodyne CC(C)[C@]12O[C@H]1CC1=C(CC[C@@H]3[C@]1(C)CCC[C@@]3(C)C(=O)O)[C@H]2O ZINC000653845469 EH Annotated Anodyne O=C(NCCc1nc(-c2cccc(F)c2)cs1)N1CCCCC1 ZINC000653850680 EH Annotated Anodyne O=C(NCCc1nc(-c2ccc(F)cc2)cs1)N1CCCCC1 ZINC000653850708 EH Annotated Anodyne O=C(NCCc1nc(-c2cccc(F)c2)cs1)c1cccs1 ZINC000653850977 EH Annotated Anodyne CC(C)n1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21 ZINC000653851632 EH Annotated Anodyne CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c21 ZINC000653852849 EH Annotated Anodyne O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccccc1Br ZINC000653852883 EH Annotated Anodyne O=C(C[C@H]1OC(=O)c2ccccc21)c1ccccc1Br ZINC000653852884 EH Annotated Anodyne CCn1ncc2c(Cl)cc(C(=O)Nc3nnc(C4CC4)s3)cc21 ZINC000653852910 EH Annotated Anodyne COC(=O)c1cc2cc3c(cc2c2cc(OC)c(OC)cc12)OCO3 ZINC000653854392 EH Annotated Bother N#Cc1csc(NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000653856261 EH Annotated Mild O[C@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000653857915 EH Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000653857916 EH Annotated Mild CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1 ZINC000653861153 EH Annotated Mild CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccccc1[N+](=O)[O-] ZINC000653861178 EH Annotated Mild N#C/C=C\CCCN1C(=O)CN=C(c2ccccc2)c2ccccc21 ZINC000653861807 EH Annotated Reactive C/C(=N/N=C1\SCC(=O)N1Cc1ccc(F)cc1)c1cccs1 ZINC000653867874 EH Annotated Mild c1ccc([C@@H]2Oc3ccccc3C3=NN[C@@H](c4ccncc4)[C@H]32)cc1 ZINC000653869219 EH Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3C3=NN[C@H](c4ccncc4)[C@H]32)cc1 ZINC000653869220 EH Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3C3=NN[C@@H](c4ccncc4)[C@@H]32)cc1 ZINC000653869221 EH Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3C3=NN[C@H](c4ccncc4)[C@@H]32)cc1 ZINC000653869222 EH Annotated Anodyne CCCCCCCCC[C@@H](O)[C@H](CO)n1cc(-c2ccccc2)nn1 ZINC000653872490 EH Annotated Mild C/C(=N\N=C1/SCC(=O)N1Cc1ccccc1F)c1cccs1 ZINC000653878813 EH Annotated Mild C[C@@H](c1ccc2nc(O)sc2c1)c1ccn(-c2ccc(F)cn2)n1 ZINC000653878855 EH Annotated Anodyne Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccc(O)cc2)o1 ZINC000653883092 EH Annotated Anodyne C/C(=N\N=C1/SCC(=O)N1Cc1cccc(F)c1)c1cccs1 ZINC000653883173 EH Annotated Mild O=C(CCC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000653887786 EH Annotated Reactive CC(C)O[C@]1(c2ccccc2)Sc2ccccc2-n2c1noc2=O ZINC000653888072 EH Annotated Anodyne CC(C)O[C@@]1(c2ccccc2)Sc2ccccc2-n2c1noc2=O ZINC000653888073 EH Annotated Anodyne CCn1cc(-c2csc(N)n2)c(=O)c2ccc(C(F)(F)F)cc21 ZINC000653895755 EH Annotated Anodyne Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCc1nn[nH]n1 ZINC000653899229 EH Annotated Anodyne CCn1cc(C(C)=O)c(=O)c2cc(N3CCCCC3)c(Cl)cc21 ZINC000653901808 EH Annotated Anodyne CC(C)=C1C(=O)N(O)c2cc(Br)c(Br)cc21 ZINC000653903368 EH Annotated Anodyne COc1ccc(CCSCC(=O)c2noc(C(C)(C)C)n2)cc1 ZINC000653912222 EH Annotated Anodyne Oc1nc2nc(Nc3ccccc3)nc(O)c2cc1-c1ccc(F)cc1 ZINC000653918639 EH Annotated Anodyne CC(C)CNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1 ZINC000066058766 EH Annotated Anodyne CCn1cc(-c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc21 ZINC000066066028 EH Annotated Mild FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 ZINC000066066159 EH Annotated Anodyne CCN1CCN(c2nc3c(c4ccccc24)Cc2ccccc2-3)CC1 ZINC000066066306 EH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3O)[nH]c21 ZINC000066073782 EH Annotated Clean O=C1OCC(NC2CCCCC2)=C1c1ccc(Br)cc1 ZINC000066074043 EH Annotated Anodyne CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCC2 ZINC000066074443 EH Annotated Anodyne Cc1cnc(CN(CCCCN)[C@@H]2CCCc3cccnc32)c(C)c1 ZINC000066074550 EH Annotated Anodyne Cc1cnc(CN(CCCCN)[C@H]2CCCc3cccnc32)c(C)c1 ZINC000066074551 EH Annotated Anodyne CC(C)[C@@H]1N=C(C2CCCCC2)c2cc([N+](=O)[O-])ccc2NC1=O ZINC000066074768 EH Annotated Bother O=C1OCC(NCc2ccccc2)=C1c1ccc(Br)cc1 ZINC000066075920 EH Annotated Anodyne NCCCCN(Cc1ncccc1Cl)[C@@H]1CCCc2cccnc21 ZINC000066077033 EH Annotated Anodyne NCCCCN(Cc1ncccc1Cl)[C@H]1CCCc2cccnc21 ZINC000066077035 EH Annotated Anodyne CSc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000066077108 EH Annotated Bother CSc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000066077110 EH Annotated Bother Cc1ccccc1C(=O)c1nc(C(=O)O)cc2c1[nH]c1ccccc12 ZINC000066078378 EH Annotated Anodyne CCN1CCN(c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)CC1 ZINC000066079460 EH Annotated Clean Cc1cc(C)nc(CN(CCCCN)[C@@H]2CCCc3cccnc32)c1 ZINC000066079682 EH Annotated Anodyne Cc1cc(C)nc(CN(CCCCN)[C@H]2CCCc3cccnc32)c1 ZINC000066079684 EH Annotated Anodyne CC(C)(C)Cc1c[nH]c(C[C@](C)(O)c2ccc(-n3cccn3)cc2)n1 ZINC000066080537 EH Annotated Anodyne CC(C)(C)Cc1c[nH]c(C[C@@](C)(O)c2ccc(-n3cccn3)cc2)n1 ZINC000066080538 EH Annotated Anodyne Cc1nc(C(=O)NC23C[C@@H]4CC2C[C@@H](C4)C3)c(C)n1-c1ccccc1 ZINC000066098367 EH Annotated Anodyne N#CC(=N\O)/C(O)=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000066098813 EH Annotated Mild O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnc2)cc1 ZINC000066098944 EH Annotated Bother CCOC(=O)c1c(N)oc2c1c(SCC)c(O)c1ncccc12 ZINC000066099280 EH Annotated Anodyne COc1ccc(C(=O)c2cccn2-c2cc(F)c(O)c(F)c2)cc1 ZINC000066099973 EH Annotated Anodyne O=C(CCCC[C@@H]1CCSS1)OCCc1ccc(O)c(O)c1 ZINC000066101133 EH Annotated Reactive O=C(CCCC[C@H]1CCSS1)OCCc1ccc(O)c(O)c1 ZINC000066101135 EH Annotated Reactive CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O ZINC000066101246 EH Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O ZINC000066101248 EH Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O ZINC000066101250 EH Annotated Anodyne CC(C)(C)c1cc[n+](CCOCC[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000066102401 EH Annotated Anodyne CC(=O)NCc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 ZINC000066103706 EH Annotated Anodyne CN(c1ccc(C(=O)O)cc1)c1cccc2nc3c(O)cccc3nc12 ZINC000066104549 EH Annotated Bother O=[N+]([O-])c1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1 ZINC000066111803 EH Annotated Bother C[C@H]1Oc2ccccc2/C(=N/OCc2ccccc2)[C@H]1n1ccnc1 ZINC000066112495 EH Annotated Mild C[C@@H]1Oc2ccccc2/C(=N/OCc2ccccc2)[C@H]1n1ccnc1 ZINC000066112496 EH Annotated Mild C[C@H]1Oc2ccccc2/C(=N/OCc2ccccc2)[C@@H]1n1ccnc1 ZINC000066112497 EH Annotated Mild C[C@@H]1Oc2ccccc2/C(=N/OCc2ccccc2)[C@@H]1n1ccnc1 ZINC000066112498 EH Annotated Mild Oc1cc(CCl)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 ZINC000066112575 EH Annotated Anodyne COc1ccc(C(=O)c2ccn(-c3cc(F)c(O)c(F)c3)c2)cc1 ZINC000066113297 EH Annotated Anodyne O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)nc2ccccc12 ZINC000066114257 EH Annotated Anodyne CC1=C[C@@]2(O[C@H](COc3ccccc3)C1)C(=O)N(C)c1ccccc12 ZINC000066123886 EH Annotated Anodyne CC1=C[C@@]2(O[C@@H](COc3ccccc3)C1)C(=O)N(C)c1ccccc12 ZINC000066123888 EH Annotated Anodyne CC1=C[C@]2(O[C@@H](COc3ccccc3)C1)C(=O)N(C)c1ccccc12 ZINC000066123889 EH Annotated Anodyne COc1ccccc1NC(=O)N1CCCN(Cc2ccccc2F)C1 ZINC000066128445 EH Annotated Anodyne Cc1cc(C)n2ncc(C(=O)NC3CCC(C(C)(C)C)CC3)c2n1 ZINC000066148688 EH Annotated Anodyne C=CC[C@]1(c2ccc(OC)cc2)Oc2ccccc2C2=NCCN=C21 ZINC000066167090 EH Annotated Mild C=C(Br)CO[C@@H]1C=C[C@H](c2ccccc2)O[C@@H]1COC ZINC000066167183 EH Annotated Mild C=C(Br)CO[C@@H]1C=C[C@H](c2ccccc2)O[C@H]1COC ZINC000066167184 EH Annotated Anodyne C=C(Br)CO[C@H]1C=C[C@H](c2ccccc2)O[C@@H]1COC ZINC000066167185 EH Annotated Mild C=C(Br)CO[C@H]1C=C[C@H](c2ccccc2)O[C@H]1COC ZINC000066167186 EH Annotated Mild O=C(NCc1ccccn1)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000066251012 EH Annotated Anodyne O=C(NCc1ccccn1)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000066251013 EH Annotated Anodyne CC(=O)N(c1nc(Cc2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000066251280 EH Annotated Anodyne CC1(C)CCC[C@]2(C)c3c(oc4c(C(N)=O)c(O)c(O)cc34)CC[C@@H]12 ZINC000066251495 EH Annotated Clean CN(C)/C=C/C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000066251631 EH Annotated Mild COc1c(O)c2c3c(oc4c(OC)c(O)cc(c43)CCC2)c1OC ZINC000066251644 EH Annotated Anodyne COC(=O)c1sc2cc(Nc3ccc4[nH]ccc4c3)cnc2c1N ZINC000066252207 EH Annotated Anodyne CC(C)(C(=O)/C=C/c1ccccc1O)C(=O)/C=C/c1ccccc1O ZINC000066252663 EH Annotated Mild OCc1c(CO)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1C2 ZINC000066258928 EH Annotated Anodyne O=c1[nH]c2cc3c(cc2cc1CN1CCC[C@H]1c1ccccn1)CCC3 ZINC000067909052 EH Annotated Anodyne O=c1[nH]c2cc3c(cc2cc1CN1CCC[C@@H]1c1ccccn1)CCC3 ZINC000067909053 EH Annotated Anodyne CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccncc2F)c1 ZINC000068206946 EH Annotated Anodyne CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2ccccc2Cl)n1 ZINC000068253498 EH Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000068267605 EH Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000069482062 EH Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@@H]3CC(=O)c4c(coc4CO)[C@H]3[C@H](O)C[C@H]12 ZINC000069482300 EH Annotated Anodyne in-vitro biogenic C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000069482557 EH Annotated Anodyne in-vitro biogenic CCc1ccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2C)cc1 ZINC000007006547 EH Annotated Anodyne CCN(CC)C1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccccc1 ZINC000007044617 EH Annotated Anodyne O=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)cc1 ZINC000007045276 EH Annotated Bother C/C(=N\NC(=S)Nc1cccc(Br)c1)c1ccccn1 ZINC000007321163 EH Annotated Mild Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3F)sc2n1 ZINC000070454751 EH Annotated Anodyne Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)ccc3F)sc2n1 ZINC000070454759 EH Annotated Anodyne Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3F)sc2n1 ZINC000070454763 EH Annotated Anodyne COc1cc(/N=C2\SSN[C@H]2Cl)c(OC)cc1Cl ZINC000070459642 EH Annotated Reactive COc1cc(/N=C2\SSN[C@@H]2Cl)c(OC)cc1Cl ZINC000070459643 EH Annotated Reactive CC(/C=C/c1ccco1)=N\CCCCNC(=O)/C=C/c1ccco1 ZINC000070460257 EH Annotated Mild O[C@@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@@H]2O[C@@H]2[C@@H]1O ZINC000071277356 EH Annotated Bother [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(-c3ccccc3)ccc21 ZINC000071281346 EH Annotated Anodyne Nc1c(C(=O)c2ccc(F)cc2)oc2ncc(Br)cc12 ZINC000071282303 EH Annotated Anodyne CCCNC(=O)c1nnc2c(-c3c(C)cccc3C)cccc2c1N ZINC000071294310 EH Annotated Anodyne CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N ZINC000071294642 EH Annotated Anodyne N=C(N)c1ccc(-c2ccc3cc(-c4ccc(C(=N)N)o4)[nH]c3c2)cc1 ZINC000071294740 EH Annotated Anodyne Cc1cc(Nc2ccc(SC(F)(F)F)cc2)n2ncnc2n1 ZINC000071294796 EH Annotated Anodyne CCN(CC)c1ccc(/C=N/c2nc3cc(C#N)ccc3[nH]2)c(O)c1 ZINC000071294891 EH Annotated Mild COCc1c(Cl)c(C)nc2oc(C(=O)c3ccc(F)cc3)c(N)c12 ZINC000071294924 EH Annotated Anodyne O=C1C=C(N2CCC(c3ccccc3)CC2)C(=O)c2c(O)cccc21 ZINC000071294950 EH Annotated Mild CC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN1CCCC[C@@H]1C ZINC000071295387 EH Annotated Anodyne CC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN1CCCC[C@H]1C ZINC000071295388 EH Annotated Anodyne CCCNC(=O)c1nnc2c(-c3cc(C)cc(C)c3)cccc2c1N ZINC000071295453 EH Annotated Anodyne CCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N ZINC000071295542 EH Annotated Anodyne Cc1nn(-c2ccccc2)c2c1/C(=N/c1nc3ccccc3[nH]1)CO2 ZINC000071295553 EH Annotated Mild [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(-c3ccco3)ccc21 ZINC000071295683 EH Annotated Anodyne Cc1ccccc1C1CCN(C2=CC(=O)c3cccc(O)c3C2=O)CC1 ZINC000071295799 EH Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000071295853 EH Annotated Mild [O-][n+]1nc2c(-c3ccco3)cnn2c2cc(-c3ccsc3)ccc21 ZINC000071295975 EH Annotated Anodyne CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(OC)c1 ZINC000071296038 EH Annotated Anodyne CCc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(OC)c1 ZINC000071296039 EH Annotated Anodyne COc1cc(-c2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000071296513 EH Annotated Bother Cc1ncc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)o1 ZINC000071296550 EH Annotated Anodyne CNc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F ZINC000071296974 EH Annotated Anodyne COc1ccc(Nc2nnc(-c3ccc(O)c(OC)c3)s2)cc1 ZINC000071316984 EH Annotated Anodyne CNc1cccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)c1 ZINC000071317425 EH Annotated Anodyne COc1ccc(/C=C2\SC(c3ccc(C(C)=O)cc3)=NC2=O)cc1 ZINC000071318023 EH Annotated Clean COC(=O)c1nc(-c2ccc(Cl)cc2)sc1-c1nc(C)no1 ZINC000071318064 EH Annotated Anodyne CC(=O)Nc1ccc2cc3ccc(NC(=O)CN=[N+]=[N-])cc3nc2c1 ZINC000071318186 EH Annotated Clean O=C(O)c1cn(C2CC2)c2sc3c4ccc(F)cc4[nH]c3c2c1=O ZINC000071318431 EH Annotated Bother C[C@@H]1/C(=N/NC(N)=S)C[C@@H](c2ccccc2)O[C@H]1c1ccccc1 ZINC000071330876 EH Annotated Mild CC(C)C[C@H](NO)c1c[nH]c2ccc(I)cc12 ZINC000071331196 EH Annotated Anodyne CC(C)C[C@@H](NO)c1c[nH]c2ccc(I)cc12 ZINC000071331198 EH Annotated Anodyne Cc1cccc(C#Cc2ccc3c(n2)CCN(C2CCCC2)C3=O)c1 ZINC000071331427 EH Annotated Mild Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)n[nH]1 ZINC000071331873 EH Annotated Mild O=C(O)c1cn(C/C=C/c2cccc(F)c2)c2c(F)cccc2c1=O ZINC000071332264 EH Annotated Anodyne Cc1cccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)c1 ZINC000071332314 EH Annotated Anodyne C[C@@]1(c2ccc(-c3ccc4ccccc4c3)cc2O)OC(=O)NC1=O ZINC000071332316 EH Annotated Anodyne C[C@]1(c2ccc(-c3ccc4ccccc4c3)cc2O)OC(=O)NC1=O ZINC000071332318 EH Annotated Anodyne CC(C)c1nn2ccccc2c1C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000071332825 EH Annotated Anodyne COc1cc(-c2ccc3ccccc3c2)ccc1[C@]1(C)OC(=O)NC1=O ZINC000071332906 EH Annotated Anodyne COc1cc(-c2ccc3ccccc3c2)ccc1[C@@]1(C)OC(=O)NC1=O ZINC000071332908 EH Annotated Anodyne O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1ccoc1 ZINC000071333663 EH Annotated Anodyne O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)c1ccoc1 ZINC000071333665 EH Annotated Anodyne O=C1c2ccc(C#Cc3ccccc3)nc2CCN1C1CCCCC1 ZINC000071334184 EH Annotated Mild Cc1ccccc1C#Cc1ccc2c(n1)CCN(C1CCCC1)C2=O ZINC000071334916 EH Annotated Mild C[N+](C)(C)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2 ZINC000071340714 EH Annotated Bother Cc1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1 ZINC000071340748 EH Annotated Anodyne C=CCOc1ccc2c(c1)C(=O)c1c-2c(=O)n(CC=C)c2ccccc12 ZINC000071341096 EH Annotated Mild O=C1c2ccc(C#Cc3cccs3)nc2CCN1C1CCCCC1 ZINC000071341361 EH Annotated Mild O=C(N/N=C/c1ccc(-c2ccc(F)cc2F)o1)c1ccccc1O ZINC000071341640 EH Annotated Reactive O=C(O)c1cn(C/C=C/c2ccc(F)cc2)c2c(F)cccc2c1=O ZINC000071341790 EH Annotated Anodyne O=C(O)c1cn(C/C=C/c2ccccc2F)c2c(F)cccc2c1=O ZINC000071341845 EH Annotated Anodyne O=C(N/N=C\C(Br)=C/c1ccccc1)c1ccc(F)cc1 ZINC000071418536 EH Annotated Reactive C=C1CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@H]1OO ZINC000071591588 EH Annotated Reactive C=C1CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@@H]1OO ZINC000071591590 EH Annotated Reactive COc1cc(Nc2nc(-c3cccc(OC)c3)no2)cc(OC)c1 ZINC000071928072 EH Annotated Anodyne COc1cccc(C/N=c2/c(-c3ccc(C(C)C)cc3)c(O)c2=O)c1 ZINC000071928387 EH Annotated Anodyne CN1CCCC[C@@]12Cc1ccccc1CN(C(=O)c1ccccc1)C2 ZINC000071988065 EH Annotated Anodyne CN1CCCC[C@]12Cc1ccccc1CN(C(=O)c1ccccc1)C2 ZINC000071988067 EH Annotated Anodyne CN1CCCC[C@@]12Cc1ccccc1CN(C(=O)C1CCCC1)C2 ZINC000071988533 EH Annotated Anodyne CN1CCCC[C@]12Cc1ccccc1CN(C(=O)C1CCCC1)C2 ZINC000071988535 EH Annotated Anodyne C[C@H](C(=O)N1Cc2ccccc2C[C@]2(CCCN2C)C1)c1ccccc1 ZINC000071990450 EH Annotated Anodyne C[C@H](C(=O)N1Cc2ccccc2C[C@@]2(CCCN2C)C1)c1ccccc1 ZINC000071990451 EH Annotated Anodyne Cc1cc(C)c(CN2CCC[C@@]23Cc2ccccc2CNC3=O)c(C)c1 ZINC000071993965 EH Annotated Anodyne Cc1cc(C)c(CN2CCC[C@]23Cc2ccccc2CNC3=O)c(C)c1 ZINC000071993966 EH Annotated Anodyne COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC(C)C)cc1 ZINC000072100805 EH Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)NCC1CC1 ZINC000072100847 EH Annotated Mild COc1cc(CNCc2coc(-c3cccc(F)c3)n2)cc(OC)c1 ZINC000072100885 EH Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)N2[C@@H](C)CC[C@H]2C)cc1 ZINC000072100987 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)N2[C@@H](C)CC[C@@H]2C)cc1 ZINC000072100988 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)N2[C@H](C)CC[C@H]2C)cc1 ZINC000072100989 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)N2[C@@H](C)C=C[C@H]2C)cc1 ZINC000072101002 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)N2[C@@H](C)C=C[C@@H]2C)cc1 ZINC000072101003 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)N2[C@H](C)C=C[C@H]2C)cc1 ZINC000072101004 EH Annotated Mild Cc1ccc(CN/C(=N\O)c2ccc(Oc3cccc(F)c3)nc2)o1 ZINC000072101122 EH Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCSC2)c(C)c1 ZINC000072101136 EH Annotated Mild CSCCN/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072101214 EH Annotated Mild COc1ccccc1Oc1ncccc1/C(=N/O)NC1CCCC1 ZINC000072101292 EH Annotated Mild COCCN(CCOC)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072101299 EH Annotated Anodyne COCCN(/C(=N\O)c1cccnc1Oc1ccccc1F)C(C)C ZINC000072101352 EH Annotated Mild COc1ccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)cc1 ZINC000072101476 EH Annotated Anodyne C[C@H]1C=C[C@@H](C)N1/C(=N\O)c1ccc(Oc2cccc(F)c2)nc1 ZINC000072101478 EH Annotated Mild C[C@H]1C=C[C@H](C)N1/C(=N\O)c1ccc(Oc2cccc(F)c2)nc1 ZINC000072101479 EH Annotated Mild C[C@@H]1C=C[C@@H](C)N1/C(=N\O)c1ccc(Oc2cccc(F)c2)nc1 ZINC000072101480 EH Annotated Mild Cc1nccn1/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072101485 EH Annotated Mild C[C@H]1CN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000072101571 EH Annotated Anodyne C[C@@H]1CN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)O1 ZINC000072101572 EH Annotated Anodyne CC(C)COc1ncccc1/C(=N/O)N[C@@H]1CCc2ccccc21 ZINC000072101582 EH Annotated Mild CC(C)COc1ncccc1/C(=N/O)N[C@H]1CCc2ccccc21 ZINC000072101583 EH Annotated Mild Cc1cccc(Oc2ncccc2/C(=N/O)NCc2ccncc2)c1C ZINC000072101602 EH Annotated Mild CCC(CC)N/C(=N\O)c1cccnc1Oc1ccc(OC)cc1 ZINC000072101804 EH Annotated Mild CC(C)CC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072101822 EH Annotated Anodyne CC(C)CC(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072101823 EH Annotated Anodyne Cc1ccc(/C(=N/O)NC2CC2)c(OCc2ccc(C(C)C)cc2)n1 ZINC000072101880 EH Annotated Mild COc1ccc(CNCc2coc(-c3cccc(F)c3)n2)cc1OC ZINC000072101918 EH Annotated Anodyne Cc1cccc(Oc2cc(/C(=N/O)NCc3cccnc3)ccn2)c1 ZINC000072101940 EH Annotated Mild COc1cccc(-c2nc(CNCC(F)(F)C(F)(F)F)co2)c1 ZINC000072101970 EH Annotated Anodyne NCCc1cn(Cc2coc(-c3cccc(F)c3)n2)c2ccccc12 ZINC000072102038 EH Annotated Anodyne Cc1ccc(/C(=N/O)N2CCSCC2)c(Oc2ccc(F)cc2)n1 ZINC000072102181 EH Annotated Mild COC[C@H](C)N/C(=N\O)c1ccc(C)nc1Oc1ccc(C)cc1C ZINC000072102263 EH Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1Oc1ccc(C)cc1C ZINC000072102264 EH Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)n2cnc(C)c2)c(C)c1 ZINC000072102293 EH Annotated Mild Cc1ccc(/C(=N/O)Nc2ccon2)c(OCc2ccccc2C)n1 ZINC000072102299 EH Annotated Mild CCc1ccc(Oc2ncccc2/C(=N/O)NCc2ccncc2)cc1 ZINC000072102324 EH Annotated Mild CCOc1ccccc1-c1nc(CN(CCOC)C(C)(C)C)co1 ZINC000072102367 EH Annotated Anodyne CCCN/C(=N\O)c1cccnc1Oc1ccc(C)c2c1CCC2 ZINC000072102368 EH Annotated Mild COc1ccc(Oc2cc(/C(=N/O)N3CCCCCC3)ccn2)cc1 ZINC000072102469 EH Annotated Mild CCC(CC)Oc1ccc(-c2nc(CNCCCN(C)C)co2)cc1 ZINC000072102475 EH Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)NC2CCCC2)cc1 ZINC000072102506 EH Annotated Mild COc1cc(-c2nc(CN3CCCC[C@H]3C)co2)cc(OC)c1OC ZINC000072102520 EH Annotated Anodyne COc1cc(-c2nc(CN3CCCC[C@@H]3C)co2)cc(OC)c1OC ZINC000072102521 EH Annotated Anodyne CSCCN/C(=N\O)c1ccc(C)nc1Oc1ccc(C)cc1C ZINC000072102675 EH Annotated Mild Cc1ncn(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1C=O ZINC000072102677 EH Annotated Anodyne Cc1ccc(Oc2cc(/C(=N/O)NCc3cccnc3)ccn2)c(C)c1 ZINC000072102692 EH Annotated Mild Cc1nccn1/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1 ZINC000072102742 EH Annotated Mild Cc1ccc(/C(=N/O)N2[C@@H](C)CCC[C@@H]2C)c(Oc2cccnc2)n1 ZINC000072102815 EH Annotated Mild CSc1ccccc1Oc1ncccc1/C(=N/O)NCC1CC1 ZINC000072102830 EH Annotated Mild O=c1c(Cl)cn(Cc2coc(-c3cccc(F)c3)n2)cc1Cl ZINC000072102857 EH Annotated Anodyne COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1CCCC1 ZINC000072103067 EH Annotated Mild C[C@H]1C[C@@H](C)CN(/C(=N\O)c2cccnc2Oc2ccccc2)C1 ZINC000072103136 EH Annotated Mild C[C@H]1C[C@H](C)CN(/C(=N\O)c2cccnc2Oc2ccccc2)C1 ZINC000072103137 EH Annotated Mild C[C@@H]1C[C@@H](C)CN(/C(=N\O)c2cccnc2Oc2ccccc2)C1 ZINC000072103138 EH Annotated Mild Cc1cn(/C(=N\O)c2ccc(Oc3ccc(Cl)cc3)nc2)cn1 ZINC000072103255 EH Annotated Mild COc1cccc(-c2nc(CNc3cc(C(C)(C)C)nn3C)co2)c1 ZINC000072103363 EH Annotated Anodyne NCCc1cn(Cc2coc(-c3ccc(F)cc3)n2)c2ccccc12 ZINC000072103406 EH Annotated Anodyne O/N=C(/c1ccc(Oc2ccc3ccccc3c2)nc1)n1cccn1 ZINC000072103421 EH Annotated Mild Cc1ccc(/C(=N/O)NCC2CC2)c(Oc2cccc3cccnc23)n1 ZINC000072103597 EH Annotated Mild O/N=C(\NCc1ccco1)c1ccnc(Oc2cccc(F)c2)c1 ZINC000072103640 EH Annotated Mild NCCc1cn(Cc2coc(-c3ccc(O)cc3)n2)c2ccccc12 ZINC000072103698 EH Annotated Anodyne Cc1ccc(/C(=N/O)NCc2ccco2)c(Oc2ccc(F)cc2)n1 ZINC000072103741 EH Annotated Mild COc1cc(CNCc2coc(-c3ccccc3C)n2)cc(OC)c1 ZINC000072103844 EH Annotated Anodyne COC(=O)c1ccccc1NCc1coc(-c2cccc(OC)c2)n1 ZINC000072103862 EH Annotated Anodyne CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000072104289 EH Annotated Anodyne Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccccn2)Nc2ncnn21 ZINC000072105961 EH Annotated Anodyne Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccccn2)Nc2ncnn21 ZINC000072105962 EH Annotated Anodyne Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccccn2)Nc2ncnn21 ZINC000072105963 EH Annotated Anodyne Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccccn2)Nc2ncnn21 ZINC000072105964 EH Annotated Anodyne C#CCN1C(=O)/C(=C\c2cn(CC#C)c3ccccc23)c2ccccc21 ZINC000072106776 EH Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Cl)OC=C3c1ccc(F)cc1 ZINC000072107341 EH Annotated Mild N#Cc1c(-c2ccccc2)cc(NCCCN)n2c1nc1ccccc12 ZINC000072107573 EH Annotated Mild S=C(N/N=C/c1cc2ccccc2nc1Cl)NC1CCCC1 ZINC000072107849 EH Annotated Mild CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@@]1(CC2)CC[C@H]2C[C@@H]1C2(C)C ZINC000072107864 EH Annotated Anodyne CC1=C[C@@]2(CC#N)[C@@H](O)C[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]2CC1 ZINC000072108000 EH Annotated Mild CC1=C[C@@]2(CC#N)CC[C@H]3[C@@](C)([C@@H](O)CC[C@@]3(C)C(=O)O)[C@@H]2CC1 ZINC000072108001 EH Annotated Mild CCCCc1nc(Cl)c([C@@H]2CC(c3ccco3)=NN2C(C)=O)n1C ZINC000072108009 EH Annotated Anodyne CCCCc1nc(Cl)c([C@H]2CC(c3ccco3)=NN2C(C)=O)n1C ZINC000072108010 EH Annotated Anodyne C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](C(=O)C=C5C=CCC[C@@]54C)[C@@H]2CC[C@H]13 ZINC000072108170 EH Annotated Mild CC(C)c1n[nH]c2c(Nc3ccccc3Br)ncnc12 ZINC000072108228 EH Annotated Anodyne COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@H](C)[C@@H](C)C2 ZINC000072108563 EH Annotated Clean N#CCCc1ccc2c(c1)[C@H]1Nc3ccc([N+](=O)[O-])cc3[C@@H]1CC(=O)N2 ZINC000072108719 EH Annotated Mild N#CCCc1ccc2c(c1)[C@@H]1Nc3ccc([N+](=O)[O-])cc3[C@@H]1CC(=O)N2 ZINC000072108720 EH Annotated Mild N#CCCc1ccc2c(c1)[C@H]1Nc3ccc([N+](=O)[O-])cc3[C@H]1CC(=O)N2 ZINC000072108721 EH Annotated Mild N#CCCc1ccc2c(c1)[C@@H]1Nc3ccc([N+](=O)[O-])cc3[C@H]1CC(=O)N2 ZINC000072108722 EH Annotated Mild Fc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCNC3)cc1 ZINC000072108815 EH Annotated Anodyne COc1c(-c2ccc(O)cc2)cc(O)c(-c2ccc(O)c(O)c2)c1O ZINC000072109059 EH Annotated Clean in-vitro Clc1ncnc2c1nc(Br)n2[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000072109217 EH Annotated Anodyne Cc1cccc2cc(/C=N/NC(=S)NC3CCCC3)c(Cl)nc12 ZINC000072109271 EH Annotated Mild CC(=O)c1c(O)c(C=O)c2c(c1O)CC[C@@]1(O2)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000072110028 EH Annotated Anodyne CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(CC2)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000072110313 EH Annotated Anodyne O/N=C1/C=C(c2c(O)ccc3ccccc23)c2ccccc2/C1=N/O ZINC000072111050 EH Annotated Mild CC1=C(OCC(=O)c2ccc(C)c(C)c2)c2ccccc2C(=O)C1=O ZINC000072111164 EH Annotated Mild CC(=O)c1c(O)c(C=O)c2c(c1O)CC[C@@]1(CC[C@H]3C[C@@H]1C3(C)C)O2 ZINC000072111202 EH Annotated Anodyne CCCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccccc1 ZINC000072111405 EH Annotated Mild CCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)cc1 ZINC000072112004 EH Annotated Mild COc1cc2c(ccn2-c2ccc3ncncc3c2)c(OC)c1OC ZINC000072112044 EH Annotated Anodyne CC[C@](C)(N)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C ZINC000072112162 EH Annotated Anodyne CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(F)cc1 ZINC000072112913 EH Annotated Mild COc1cc(-c2noc(Cc3ccccc3)n2)ccc1-n1cnc(C)c1 ZINC000072113009 EH Annotated Anodyne COc1cc2c(ccn2-c2ccc(N(C)C)cc2)c(OC)c1OC ZINC000072113141 EH Annotated Anodyne OCCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccccc1)[C@@H]23 ZINC000072113279 EH Annotated Anodyne COc1cc(-c2n[nH]c(Cc3ccccc3)n2)ccc1-n1cnc(C)c1 ZINC000072114156 EH Annotated Anodyne C=CCn1c(-c2cc(OC)c(OC)cc2C=O)cc2ccccc2c1=O ZINC000072114165 EH Annotated Mild CC(=O)N[C@@H](CC(=O)c1ccccc1)c1cccc(Br)c1 ZINC000072114733 EH Annotated Anodyne CC(=O)N[C@H](CC(=O)c1ccccc1)c1cccc(Br)c1 ZINC000072114734 EH Annotated Anodyne N#Cc1ccc(Nc2nccc([C@@H](O)c3ccccc3Cl)n2)cc1 ZINC000072114841 EH Annotated Mild N#Cc1ccc(Nc2nccc([C@H](O)c3ccccc3Cl)n2)cc1 ZINC000072114842 EH Annotated Mild CC(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 ZINC000072114875 EH Annotated Anodyne C=C(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 ZINC000072114876 EH Annotated Mild O=C(O)CC1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 ZINC000072114888 EH Annotated Reactive O=C1OCC(Nc2ccccc2)=C1c1ccc(Br)cc1 ZINC000072114889 EH Annotated Anodyne O=C(O)CC1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 ZINC000072116178 EH Annotated Reactive O=C1OCC(Nc2ccccc2[N+](=O)[O-])=C1c1cccc(Cl)c1 ZINC000072116193 EH Annotated Bother COc1ccc2c(c1)[nH]c1c(C[C@@H]3OC3(C)C)c(O)c(C=O)cc12 ZINC000072116280 EH Annotated Anodyne COc1ccc2c(c1)[nH]c1c(C[C@H]3OC3(C)C)c(O)c(C=O)cc12 ZINC000072116281 EH Annotated Anodyne Cc1ccc(C)c([C@H](O)c2ccnc(Nc3ccc(C#N)cc3)n2)c1 ZINC000072116351 EH Annotated Mild Cc1ccc(C)c([C@@H](O)c2ccnc(Nc3ccc(C#N)cc3)n2)c1 ZINC000072116352 EH Annotated Mild O=C(O)[C@H]1C[C@H]1c1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1 ZINC000072117049 EH Annotated Mild O=C(O)[C@H]1C[C@@H]1c1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1 ZINC000072117050 EH Annotated Mild O=C(O)[C@@H]1C[C@H]1c1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1 ZINC000072117051 EH Annotated Mild O=C(O)[C@@H]1C[C@@H]1c1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1 ZINC000072117052 EH Annotated Mild Cc1cccc(C)c1Oc1ccc(=O)n(Nc2ccc(F)cc2)n1 ZINC000072118059 EH Annotated Anodyne Cc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(F)cc3)n2)c(C)c1 ZINC000072118379 EH Annotated Anodyne Cc1cc(C)c(Oc2ccc(=O)n(Nc3cccc(C#N)c3)n2)c(C)c1 ZINC000072118381 EH Annotated Mild CC(C)Cn1c2ccccc2c2ccnc(CNCCCN(C)C)c21 ZINC000072118466 EH Annotated Anodyne Cc1cc(C)c(Nc2ccc(=O)n(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000072118475 EH Annotated Mild Cc1cc(C)c(Nc2ccc(=O)n(Nc3cccc(C#N)c3)n2)c(C)c1 ZINC000072118477 EH Annotated Mild O=C1OCC(Nc2cccc(O)c2)=C1c1ccc(Br)cc1 ZINC000072119775 EH Annotated Anodyne O=C1OCC(Nc2ccc(O)cc2)=C1c1ccc(Br)cc1 ZINC000072119776 EH Annotated Anodyne Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(-c3ccccc3)n2n1 ZINC000072120337 EH Annotated Anodyne C=CCN1Cc2ccccc2Oc2ccc(Cl)cc2S1(=O)=O ZINC000072122023 EH Annotated Mild CCO[P@@](=O)(NC1CCCC1)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000072123032 EH Annotated Bother CCO[P@](=O)(NC1CCCC1)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000072123033 EH Annotated Bother CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3ccccc3)cc2)C1 ZINC000072123153 EH Annotated Anodyne COc1ccc(/C=C(\C#N)n2nnc3ccc(C(F)(F)F)cc32)cc1 ZINC000072123391 EH Annotated Reactive Fc1cccc(Cl)c1CCOc1ccc(-c2ccccn2)nn1 ZINC000072123523 EH Annotated Anodyne CC(=O)N[C@@H]1CC[C@H](C(=O)N(C)c2ccc(-c3ccccc3)cc2)C1 ZINC000072125217 EH Annotated Anodyne Oc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)CN1CCC[C@H]1C3 ZINC000072125759 EH Annotated Bother CCO[P@](=O)(Oc1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000072126156 EH Annotated Anodyne CCO[P@@](=O)(Oc1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000072126157 EH Annotated Anodyne C[C@@H]1CCCCN1c1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000072134213 EH Annotated Anodyne C[C@H]1CCCCN1c1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000072134214 EH Annotated Anodyne CCCc1nc2ccc(C(=O)OC)cn2c1Cc1cccc(F)c1 ZINC000072135089 EH Annotated Anodyne COc1ccc(-c2ccc3c(c2)CN(CC(C)C)Cc2cnnn2-3)cc1 ZINC000072135682 EH Annotated Anodyne O=C(NCc1ccco1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 ZINC000072135734 EH Annotated Anodyne C[C@@H]1C[C@@H]2CCC[C@@H]2[C@]2(O1)C(=O)Nc1cccc(Br)c12 ZINC000072136279 EH Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@@H](Cc1ccccc1Br)OC ZINC000072136904 EH Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCC(Br)=C2OCC ZINC000072138315 EH Annotated Anodyne C=CCN1C(=O)[C@]2(OCCC=C[C@@H]2C)c2c(Br)cccc21 ZINC000072138398 EH Annotated Mild C=CCN1C(=O)[C@@]2(OCCC=C[C@H]2C)c2c(Br)cccc21 ZINC000072138399 EH Annotated Mild C=CCN1C(=O)[C@@]2(OCCC=C[C@@H]2C)c2c(Br)cccc21 ZINC000072138400 EH Annotated Mild Cc1ccc2ccccc2[n+]1CCCCI ZINC000072138561 EH Annotated Reactive CSCCN/C(=N\O)c1ccc(Oc2cc(C)cc(C)c2)nc1 ZINC000072140987 EH Annotated Mild N[C@@H]1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O ZINC000072141469 EH Annotated Anodyne N[C@H]1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O ZINC000072141470 EH Annotated Anodyne COc1cc(CNCc2coc(-c3ccc(C)cc3)n2)cc(OC)c1 ZINC000072142350 EH Annotated Anodyne Cc1cn(Cc2coc(-c3ccccc3Br)n2)c(C)n1 ZINC000072142714 EH Annotated Anodyne O/N=C(\NC1CCCC1)c1cccnc1Oc1c(F)cccc1F ZINC000072142736 EH Annotated Mild CN(C1=C(c2ccc(Br)cc2)C(=O)OC1)c1ccccc1 ZINC000072142865 EH Annotated Anodyne Cc1c[nH]c(CN2CCCC[C@@H]2CCc2cccc(O)c2)c(C)c1=O ZINC000072163552 EH Annotated Anodyne Cc1c[nH]c(CN2CCCC[C@H]2CCc2cccc(O)c2)c(C)c1=O ZINC000072163553 EH Annotated Anodyne CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(C)n2n1 ZINC000072171084 EH Annotated Anodyne COCCOc1cccc(-c2nc3ccc(OC(C)C)nn3c2C)c1 ZINC000072173230 EH Annotated Anodyne CCCOc1ccc2nc(-c3ccc(OCCOCC)cc3)cn2n1 ZINC000072174791 EH Annotated Anodyne CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CCC2)OO3)CC[C@@H]1Br ZINC000072174831 EH Annotated Reactive CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CCC2)OO3)CC[C@H]1Br ZINC000072174832 EH Annotated Anodyne CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CCC2)OO3)CC[C@H]1Br ZINC000072174833 EH Annotated Anodyne O=C(N/N=C/c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072174998 EH Annotated Reactive Cc1ccc(/C=N/NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000072175012 EH Annotated Reactive CCCNC(=O)c1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1 ZINC000072175014 EH Annotated Reactive CSc1nn(-c2ccccc2)c2c(OC3CCNCC3)cccc12 ZINC000072175055 EH Annotated Anodyne O=C1CCNC(=O)c2c1ccn2Cc1ccc(-c2ccccc2)cc1 ZINC000072175301 EH Annotated Anodyne Cc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1 ZINC000072175339 EH Annotated Anodyne O=C1CCN(Cc2ccccc2)C(=O)c2c1ccn2Cc1ccccc1 ZINC000072175462 EH Annotated Anodyne C#Cn1ccnc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000072176126 EH Annotated Mild N#Cc1ccc(/C=C/c2nc3ncc(Br)cc3[nH]2)cc1 ZINC000072176440 EH Annotated Mild CC(C)C1=CC2=CC=C3C(C)(C)COC(=O)[C@@]3(C)CC2=C(O)C1=O ZINC000072176557 EH Annotated Mild CSc1nn(-c2ccccc2)c2cc(OC3CCNCC3)ccc12 ZINC000072176652 EH Annotated Anodyne CC(C)S(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1 ZINC000072176877 EH Annotated Anodyne CCOC(=O)/C=C/c1c(O)ncnc1Oc1ccc(C(C)(C)C)cc1 ZINC000072177425 EH Annotated Anodyne O=C1/C(=N/Nc2cccc(Cl)c2)C(O)=Nc2c1cccc2[N+](=O)[O-] ZINC000072177518 EH Annotated Mild O=C1/C(=N/Nc2ccccc2[N+](=O)[O-])C(O)=Nc2ccc(Cl)cc21 ZINC000072177524 EH Annotated Mild O=[N+]([O-])c1ccc2c(ccc3nc4ncc(Br)cc4n32)c1 ZINC000072178498 EH Annotated Bother CC1(C)C=Cc2cc([C@H](O)n3cc(-c4ccccc4)nn3)ccc2O1 ZINC000072178624 EH Annotated Anodyne CC1(C)C=Cc2cc([C@@H](O)n3cc(-c4ccccc4)nn3)ccc2O1 ZINC000072178625 EH Annotated Anodyne O=C1C[C@@H](c2ccccc2Br)n2c(nc3ccccc32)N1 ZINC000072178654 EH Annotated Anodyne O=C1C[C@H](c2ccccc2Br)n2c(nc3ccccc32)N1 ZINC000072178655 EH Annotated Anodyne CC(=O)N1N=C(c2ccncc2)O[C@H]1c1ccc(Cl)cc1Cl ZINC000072178686 EH Annotated Anodyne CC(=O)N1N=C(c2ccncc2)O[C@@H]1c1ccc(Cl)cc1Cl ZINC000072178687 EH Annotated Anodyne CCN(CC)CC(=O)N(COC(=O)C(C)(C)C)c1c(C)cccc1C ZINC000072178949 EH Annotated Anodyne Cc1oc(-c2cccnc2)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072178973 EH Annotated Anodyne COC(=O)c1nc(C2CCCC2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072179789 EH Annotated Anodyne Cc1cccc(Oc2nc(C)ccc2/C(=N/O)N2CCSCC2)c1 ZINC000072179978 EH Annotated Mild CCOc1ccc(-c2nc(CN(C)CCN(CC)CC)co2)cc1 ZINC000072179992 EH Annotated Anodyne COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC[C@@H]2C)cc1 ZINC000072180001 EH Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC[C@H]2C)cc1 ZINC000072180002 EH Annotated Mild O/N=C(/c1ccnc(Oc2ccc(Cl)cc2)c1)N1CC=CCC1 ZINC000072180084 EH Annotated Mild CCOc1ccccc1-c1nc(CNCCOc2ccccc2)co1 ZINC000072180123 EH Annotated Anodyne Cc1ccc(/C(=N/O)N2CCC[C@@H]2C)c(Oc2cccc(F)c2)n1 ZINC000072180186 EH Annotated Mild Cc1ccc(/C(=N/O)N2CCC[C@H]2C)c(Oc2cccc(F)c2)n1 ZINC000072180187 EH Annotated Mild Cn1nc(C(C)(C)C)cc1NCc1coc(-c2ccc(O)cc2)n1 ZINC000072180233 EH Annotated Anodyne CC(C)N/C(=N\O)c1ccc(Oc2cccc3c2OC(C)(C)C3)nc1 ZINC000072180304 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)NC2CCCCC2)cc1 ZINC000072180407 EH Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCSCC2)cc1 ZINC000072180427 EH Annotated Mild CC(C)(C)CN/C(=N\O)c1cccnc1Oc1c(F)cccc1F ZINC000072180516 EH Annotated Mild CCN(/C(=N\O)c1ccc(C)nc1OCc1ccccc1F)C(C)C ZINC000072180522 EH Annotated Mild O/N=C(/c1ccnc(Oc2ccc(F)c(Cl)c2)c1)N1CCCC1 ZINC000072180630 EH Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)N2CCCC2)c2c1CCC2 ZINC000072180636 EH Annotated Mild COc1ccccc1CCNCc1coc(-c2ccc(F)cc2)n1 ZINC000072180667 EH Annotated Anodyne Cc1nccn1/C(=N\O)c1ccnc(Oc2ccc(F)c(Cl)c2)c1 ZINC000072180798 EH Annotated Mild CC(C)COc1ncccc1/C(=N/O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000072180822 EH Annotated Mild CC(C)COc1ncccc1/C(=N/O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000072180823 EH Annotated Mild CC(C)COc1ncccc1/C(=N/O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000072180824 EH Annotated Mild CC(C)COc1ncccc1/C(=N/O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000072180825 EH Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCCCC2)cc1 ZINC000072180887 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)NCc2ccccc2)cc1 ZINC000072180943 EH Annotated Mild Cc1ccc(/C(=N/O)N2CCCC2)c(Oc2ccc(F)c(F)c2)n1 ZINC000072181031 EH Annotated Mild CCN(CCC#N)Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000072181065 EH Annotated Mild CCn1nccc1NCc1coc(-c2ccccc2Br)n1 ZINC000072181418 EH Annotated Anodyne O/N=C(/c1cccnc1Oc1ccc(Cl)cc1)N1CCSCC1 ZINC000072181452 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)N2CCCCC2)cc1 ZINC000072181672 EH Annotated Mild COC(CN(C)Cc1coc(-c2ccc(Cl)cc2Cl)n1)OC ZINC000072181836 EH Annotated Anodyne CCC(CC)N/C(=N\O)c1ccnc(Oc2ccc(OC)cc2)c1 ZINC000072181887 EH Annotated Mild CC1(C)C=Cc2cc([C@H](O)c3cn(Cc4ccccc4)nn3)ccc2O1 ZINC000072182019 EH Annotated Anodyne CC1(C)C=Cc2cc([C@@H](O)c3cn(Cc4ccccc4)nn3)ccc2O1 ZINC000072182020 EH Annotated Anodyne Cc1cn(/C(=N\O)c2ccc(Oc3cccc4cccnc34)nc2)cn1 ZINC000072182074 EH Annotated Mild Cc1ccc(/C(=N/O)N2CCCCC2)c(Oc2ccc(F)cc2)n1 ZINC000072182091 EH Annotated Mild CCOc1ccccc1-c1nc(CN(CC)CCN(CC)CC)co1 ZINC000072182107 EH Annotated Anodyne Cc1cc(C)cc(Oc2ccc(/C(=N/O)n3nc(C)cc3C)cn2)c1 ZINC000072182110 EH Annotated Mild CCOc1ccc(Oc2ccc(/C(=N/O)Nc3ccon3)cn2)cc1 ZINC000072182111 EH Annotated Mild Cc1ccc(/C(=N/O)NCc2ccco2)c(OCC2CCCCC2)n1 ZINC000072182203 EH Annotated Mild Cc1cccc(-c2nc(CN(CCC#N)C[C@@H]3CCCO3)co2)c1 ZINC000072182218 EH Annotated Mild Cc1cccc(-c2nc(CN(CCC#N)C[C@H]3CCCO3)co2)c1 ZINC000072182219 EH Annotated Mild COc1cccc(CNCc2coc(-c3ccccc3C)n2)c1OC ZINC000072182253 EH Annotated Anodyne COCCN/C(=N\O)c1ccc(Oc2cc(C)cc(C(C)C)c2)nc1 ZINC000072182317 EH Annotated Mild Cc1ccc(/C(=N/O)NCC(C)(C)C)c(OCc2cccc(F)c2)n1 ZINC000072182433 EH Annotated Mild COc1ccc(Oc2cc(/C(=N/O)NC3CCCCC3)ccn2)cc1 ZINC000072182532 EH Annotated Mild Cc1cc(C)cc(CN/C(=N\O)c2cccnc2OCC(C)C)c1 ZINC000072182588 EH Annotated Mild Cc1ccc(/C(=N/O)NC2CC2)c(Oc2cccc3cccnc23)n1 ZINC000072182693 EH Annotated Mild Brc1ccc(-c2nc(CNCc3cccnc3)co2)cc1 ZINC000072182704 EH Annotated Anodyne O/N=C(\NC1CCCC1)c1ccnc(Oc2ccc(F)c(F)c2)c1 ZINC000072182774 EH Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)NCc3ccccn3)cn2)c1 ZINC000072182855 EH Annotated Mild COc1ccc(Oc2cc(/C(=N/O)NCC(C)(C)C)ccn2)cc1 ZINC000072182862 EH Annotated Mild COC(CN(C)Cc1coc(-c2cccc3ccccc23)n1)OC ZINC000072182895 EH Annotated Anodyne Cc1ccc(/C(=N/O)N2CCCC2)c(OCc2ccccc2C)n1 ZINC000072182992 EH Annotated Mild O/N=C(/c1ccc(Oc2ccc(Cl)cc2)nc1)N1CC=CCC1 ZINC000072182998 EH Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CC2)cc1 ZINC000072183006 EH Annotated Mild CN(CCCNCc1coc(-c2ccc(O)cc2)n1)c1ccccc1 ZINC000072183074 EH Annotated Anodyne COc1cccc(OC)c1CNCc1coc(-c2cccc(F)c2)n1 ZINC000072183088 EH Annotated Anodyne C[C@@H]1CCCCN1CCCNCc1coc(-c2ccc(F)cc2)n1 ZINC000072183104 EH Annotated Anodyne C[C@H]1CCCCN1CCCNCc1coc(-c2ccc(F)cc2)n1 ZINC000072183105 EH Annotated Anodyne O/N=C(\NCc1ccccc1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000072183108 EH Annotated Mild Cc1ccc(/C(=N/O)N2CCCCC2)c(Oc2cccc(F)c2)n1 ZINC000072183117 EH Annotated Mild Cc1ccc(/C(=N/O)NCc2ccco2)c(Oc2cccc(F)c2)n1 ZINC000072183125 EH Annotated Mild Cc1ccccc1-c1nc(CN(CCC#N)C[C@@H]2CCCO2)co1 ZINC000072183131 EH Annotated Mild Cc1ccccc1-c1nc(CN(CCC#N)C[C@H]2CCCO2)co1 ZINC000072183132 EH Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)NC3CCCC3)ccn2)cc1 ZINC000072183211 EH Annotated Mild COc1ccccc1Oc1ncccc1/C(=N\O)NC1CCCCC1 ZINC000072183222 EH Annotated Mild Brc1ccc(-c2nc(CNCc3ccncc3)co2)cc1 ZINC000072183231 EH Annotated Anodyne CCCN/C(=N\O)c1cccnc1Oc1cccc(N(CC)CC)c1 ZINC000072183293 EH Annotated Mild Brc1ccc(-c2nc(CNCc3ccccn3)co2)cc1 ZINC000072183368 EH Annotated Anodyne c1ccc(CN(Cc2ccccn2)Cc2coc(-c3ccco3)n2)nc1 ZINC000072183477 EH Annotated Anodyne CN(Cc1ccco1)/C(=N\O)c1cccnc1OCC1CCCCC1 ZINC000072183508 EH Annotated Mild COC[C@H](C)N/C(=N\O)c1ccnc(Oc2cccc(C(C)C)c2)c1 ZINC000072183528 EH Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccnc(Oc2cccc(C(C)C)c2)c1 ZINC000072183529 EH Annotated Mild COc1ccc(-c2nc(CNc3cc(C(C)(C)C)nn3C)co2)cc1 ZINC000072183540 EH Annotated Anodyne CCc1ccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc1 ZINC000072183571 EH Annotated Mild Cc1cn(/C(=N\O)c2ccnc(Oc3ccc(F)c(Cl)c3)c2)cn1 ZINC000072183685 EH Annotated Mild CC[C@@H](COC)NCc1coc(-c2ccccc2Br)n1 ZINC000072183688 EH Annotated Anodyne CC[C@H](COC)NCc1coc(-c2ccccc2Br)n1 ZINC000072183689 EH Annotated Anodyne COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)NC(C)C ZINC000072183696 EH Annotated Mild O=c1c(Cl)cn(Cc2coc(-c3ccc(F)cc3)n2)cc1Cl ZINC000072183702 EH Annotated Anodyne CCc1ccc(Oc2ccc(/C(=N/O)NCc3ccco3)cn2)cc1 ZINC000072183795 EH Annotated Mild Nc1cc(-c2ccccc2)n(Cc2coc(-c3ccc(O)cc3)n2)n1 ZINC000072183829 EH Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)N2CCC(C)CC2)cc1 ZINC000072183835 EH Annotated Mild Cc1cccc(Oc2ccc(/C(=N/O)NCc3cccnc3)cn2)c1 ZINC000072183849 EH Annotated Mild CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2cccc(C)c2)n1 ZINC000072183868 EH Annotated Anodyne CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2cccc(C)c2)n1 ZINC000072183869 EH Annotated Anodyne COc1ccc(CNCc2coc(-c3ccccc3C)n2)c(OC)c1 ZINC000072183949 EH Annotated Anodyne CSc1ccc(Oc2nc(C)ccc2/C(=N/O)n2ccnc2)cc1 ZINC000072184000 EH Annotated Mild CCOc1ccccc1-c1nc(CN(C)CCc2ccccn2)co1 ZINC000072184069 EH Annotated Anodyne Cc1ccc(Oc2cc(/C(=N/O)NCC3CC3)ccn2)c2c1CCC2 ZINC000072184115 EH Annotated Mild Cc1cn(/C(=N\O)c2ccc(C)nc2Oc2cccc(F)c2)cn1 ZINC000072184214 EH Annotated Mild COCCN(/C(=N\O)c1cccnc1OCC1CCCCC1)C(C)C ZINC000072184243 EH Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CCCC2)cc1 ZINC000072184275 EH Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)n2ccnc2)c2c1CCC2 ZINC000072184293 EH Annotated Mild COc1ccc(-c2nc(CNCCc3ccccc3OC)co2)cc1 ZINC000072184319 EH Annotated Anodyne Cc1ccc(/C(=N/O)N2CC=CCC2)c(Oc2cccc(F)c2)n1 ZINC000072184322 EH Annotated Mild O/N=C(\Nc1ccon1)c1ccc(Oc2cccc3cccnc23)nc1 ZINC000072184339 EH Annotated Mild Nc1cc(-c2ccccc2)n(Cc2coc(-c3cccc(F)c3)n2)n1 ZINC000072184417 EH Annotated Anodyne CSCCN/C(=N\O)c1ccc(Oc2ccc(SC)cc2)nc1 ZINC000072184418 EH Annotated Mild COc1ccc(Oc2cc(/C(=N/O)N3CCCCC3)ccn2)cc1 ZINC000072184569 EH Annotated Mild COc1ccc(/C=N/OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000072184674 EH Annotated Mild Nc1nccnc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000072184677 EH Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)N2CCCCCC2)cc1 ZINC000072184832 EH Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC=CCC2)cc1 ZINC000072184847 EH Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)NCC2CC2)c2c1CCC2 ZINC000072184885 EH Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)NCC(C)(C)C)cc1 ZINC000072184928 EH Annotated Mild CCN(CC)CCN(CC)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000072184983 EH Annotated Anodyne Cc1ccc(Oc2cc(/C(=N/O)NCc3ccccn3)ccn2)c(C)c1 ZINC000072184987 EH Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)NC(C)C)c2c1CCC2 ZINC000072185144 EH Annotated Mild O/N=C(/c1cccnc1Oc1ccc2c(c1)CCCC2)N1CCCC1 ZINC000072185156 EH Annotated Mild CCN(CC)CCC[C@@H](C)NCc1coc(-c2ccc(OC)cc2)n1 ZINC000072185257 EH Annotated Anodyne CCN(CC)CCC[C@H](C)NCc1coc(-c2ccc(OC)cc2)n1 ZINC000072185258 EH Annotated Anodyne CCC(CC)N/C(=N\O)c1cccnc1Oc1ccccc1OC ZINC000072185265 EH Annotated Mild COC[C@H](C)N/C(=N\O)c1cccnc1Oc1ccc(C(C)C)cc1 ZINC000072185281 EH Annotated Mild COC[C@@H](C)N/C(=N\O)c1cccnc1Oc1ccc(C(C)C)cc1 ZINC000072185282 EH Annotated Mild Nc1cc(-c2ccccc2)n(Cc2coc(-c3ccc(F)cc3)n2)n1 ZINC000072185370 EH Annotated Anodyne Cc1nccn1/C(=N\O)c1ccnc(Oc2cccc3cnccc23)c1 ZINC000072185436 EH Annotated Mild Cc1ccc(CN/C(=N\O)c2ccnc(Oc3cccc(F)c3)c2)o1 ZINC000072185546 EH Annotated Mild CSc1ccc(Oc2ccc(/C(=N/O)N3CC=CC3)cn2)cc1 ZINC000072185720 EH Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)n2ccnc2C)c(C)c1 ZINC000072185749 EH Annotated Mild CN(C)CCCNCc1coc(-c2ccc(OC3CCCC3)cc2)n1 ZINC000072185753 EH Annotated Anodyne O/N=C(\NCc1cccs1)c1cccnc1OCc1ccccc1 ZINC000072185790 EH Annotated Mild COc1ccc(CNCc2coc(-c3cccc(F)c3)n2)c(OC)c1 ZINC000072185819 EH Annotated Anodyne Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)c1 ZINC000072185902 EH Annotated Mild Cc1ccc2cccc(Oc3ccc(/C(=N/O)n4cccn4)cn3)c2n1 ZINC000072185904 EH Annotated Mild Cc1ccc(/C(=N/O)N2CCCCC2)c(OCc2cccc(F)c2)n1 ZINC000072185959 EH Annotated Mild CCN(Cc1coc(-c2ccc(O)cc2)n1)c1ccc2c(c1)OCO2 ZINC000072185970 EH Annotated Clean CCCN/C(=N\O)c1ccc(C)nc1Oc1ccc(C)cc1OC ZINC000072185993 EH Annotated Mild COc1ccc(CN/C(=N\O)c2cccnc2Oc2ccccc2)cc1 ZINC000072186109 EH Annotated Mild COc1ccc(-c2nc(Cn3cc(CCN)c4ccccc43)co2)cc1 ZINC000072186145 EH Annotated Anodyne Cc1ccc(Oc2ncccc2/C(=N/O)n2ccnc2C)c2c1CCC2 ZINC000072186147 EH Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1CC=CC1 ZINC000072186206 EH Annotated Mild COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)NCC(C)C ZINC000072186223 EH Annotated Mild CC[C@@H](C)Oc1ccc(-c2nc(CNCCCN(C)C)co2)cc1 ZINC000072186298 EH Annotated Anodyne CC[C@H](C)Oc1ccc(-c2nc(CNCCCN(C)C)co2)cc1 ZINC000072186299 EH Annotated Anodyne COc1cccc(CNCc2coc(-c3cccc(F)c3)n2)c1OC ZINC000072186414 EH Annotated Anodyne Cc1ccc(/C(=N/O)N2CCC[C@@H]2C)c(OCc2ccccc2F)n1 ZINC000072186429 EH Annotated Mild Cc1ccc(/C(=N/O)N2CCC[C@H]2C)c(OCc2ccccc2F)n1 ZINC000072186430 EH Annotated Mild Cc1cccc(Oc2ccc(/C(=N/O)NCc3ccccn3)cn2)c1 ZINC000072186503 EH Annotated Mild O/N=C(\NCC1CC1)c1ccc(Oc2cccc3c2CCCC3)nc1 ZINC000072186549 EH Annotated Mild CCCCc1ccc(-c2nc(C)c(/C(C)=N/NC(=N)N)s2)cc1 ZINC000072187314 EH Annotated Mild CCC1CCC(N(CC(=O)NCC#N)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000072275077 EH Annotated Mild CCC1CCC(N(CC(=O)NCC#N)[C@H](C)c2ccc(F)cc2)CC1 ZINC000072275078 EH Annotated Mild CC[C@]12C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42 ZINC000072283732 EH Annotated Anodyne CC(=O)c1cc2ncc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)cc2[nH]1 ZINC000072322828 EH Annotated Anodyne CC(=O)c1cc2ncc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)cc2[nH]1 ZINC000072322829 EH Annotated Anodyne CC(=O)c1cc2ncc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)cc2[nH]1 ZINC000072322830 EH Annotated Anodyne CC(=O)c1cc2ncc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)cc2[nH]1 ZINC000072322831 EH Annotated Anodyne COc1ccccc1CNC(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072322949 EH Annotated Anodyne COc1ccc(OC)c(NC(=O)c2cnc3c(C)csc3c2)c1 ZINC000072323050 EH Annotated Anodyne Cc1csc2cc(C(=O)Nc3ccc4c(c3)OCCO4)cnc12 ZINC000072323052 EH Annotated Anodyne Cc1csc2cc(C(=O)NCCn3ccc4ccccc43)cnc12 ZINC000072323069 EH Annotated Anodyne CCSc1nnc(NC(=O)c2cnc3c(C)csc3c2)s1 ZINC000072323084 EH Annotated Anodyne CC(C)(C)n1cc(C(=O)NCCc2ccc(F)cc2)c2cccnc21 ZINC000072323217 EH Annotated Anodyne O=C(NCc1ccco1)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072323278 EH Annotated Anodyne Cc1cc(NC(=O)c2cn(Cc3ccccc3)c3ncccc23)no1 ZINC000072323319 EH Annotated Anodyne CCOCCCNC(=O)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323637 EH Annotated Anodyne O=C(NCc1ccccn1)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323654 EH Annotated Anodyne Cc1nnc(NC(=O)c2cnc3c(ccn3C3CCCCC3)c2)s1 ZINC000072323668 EH Annotated Anodyne CC(C)(C)n1cc(C(=O)NCc2c(F)cccc2F)c2cccnc21 ZINC000072323689 EH Annotated Anodyne CC(C)CCNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323735 EH Annotated Mild CCCCCNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323772 EH Annotated Mild CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1Cc1cccnc1 ZINC000072359247 EH Annotated Anodyne CC(C)c1nccn1-c1nccnc1[C@H]1CCCN1Cc1cccnc1 ZINC000072359248 EH Annotated Anodyne O=[N+]([O-])c1cc(-c2ccccc2)cc(I)c1O ZINC000072481856 EH Annotated Bother COc1ccc(NC(=O)C(=O)c2c[nH]c3c(Cl)cccc23)cc1 ZINC000073053698 EH Annotated Anodyne COC(=O)C/C=C\[C@H](C)[C@@H](Cc1ccccc1Br)OC ZINC000073111228 EH Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H](Cc1ccccc1Br)OC ZINC000073111230 EH Annotated Anodyne COc1ccccc1CSc1nc(O)c(C#N)c2c1CCCC2 ZINC000073129774 EH Annotated Mild O=C(O)c1cc2ccc(-c3ccc4c(c3)OC(F)(F)O4)cc2n1O ZINC000073139174 EH Annotated Anodyne N#Cc1c(=O)[nH]c(OCc2ccccc2Cl)c2cc(F)ccc12 ZINC000073139479 EH Annotated Mild O=Cc1c(-c2ccc(F)c([N+](=O)[O-])c2)nc2sc(Cl)cn12 ZINC000073139999 EH Annotated Bother Cn1cc(C(=O)C(=O)Nc2ccc(-n3cccc3)cc2)c2ccccc21 ZINC000073140222 EH Annotated Anodyne O=C(COc1ccccc1Br)c1ccc(NC2CC2)nc1 ZINC000073141872 EH Annotated Anodyne N#Cc1ccc(F)c(CSc2nc(O)c(C#N)c3c2CCCC3)c1 ZINC000073142203 EH Annotated Mild Cc1cccc(N2C(=O)CS[C@H]2c2c(Cl)cncc2Cl)n1 ZINC000073157177 EH Annotated Anodyne Cc1cccc(N2C(=O)CS[C@@H]2c2c(Cl)cncc2Cl)n1 ZINC000073157181 EH Annotated Anodyne Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@H]3c1ccccc1 ZINC000073157624 EH Annotated Anodyne Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@@H]3c1ccccc1 ZINC000073157627 EH Annotated Anodyne CCOP(=O)(OCC)OCc1ccc(OC(C)=O)c(Cl)c1 ZINC000073159323 EH Annotated Anodyne N#Cc1c(O)nc(SCc2ccccc2Cl)c2c1CCOC2 ZINC000073160363 EH Annotated Mild CC(C)O[C@@H]1C=CCC[C@H]1N(O)c1ccc(Br)cn1 ZINC000073161586 EH Annotated Anodyne CC(C)(C)O[C@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)C1 ZINC000073162123 EH Annotated Anodyne CC(C)(C)O[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)C1 ZINC000073162127 EH Annotated Anodyne CC(C)(C)O[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1 ZINC000073162131 EH Annotated Anodyne COc1ccc2nc(C)c3c(C)nc(-c4sc(C)nc4C)n3c2n1 ZINC000073162238 EH Annotated Anodyne O=C(COc1cccc(Br)c1)c1ccc(Cl)nc1 ZINC000073165679 EH Annotated Anodyne CO[C@]12Oc3ccc(Cl)cc3C(=O)C1=CC(=O)c1ccccc12 ZINC000073166580 EH Annotated Mild CO[C@@]12Oc3ccc(Cl)cc3C(=O)C1=CC(=O)c1ccccc12 ZINC000073166583 EH Annotated Mild NC(=O)c1c(O)nc(SCc2ccccc2Cl)c2c1CCCC2 ZINC000073168269 EH Annotated Anodyne O=C(COc1ccccc1Br)c1ccc(Cl)nc1 ZINC000073168374 EH Annotated Anodyne N#Cc1ncccc1CSc1nc(O)c(C#N)c2ccc(F)cc12 ZINC000073169521 EH Annotated Mild O=[N+]([O-])c1ccc(/C=C/C(O)=N/c2nc(-c3ccccc3)n[nH]2)s1 ZINC000073169592 EH Annotated Mild CCC(C=O)(CC)SSC(/C=N\CC(=O)OC)(CC)CC ZINC000073195580 EH Annotated Reactive CC(C)(C)O[C@@H]1C=CCC[C@H]1N(O)c1ccc(Br)cn1 ZINC000073195728 EH Annotated Anodyne Nc1ccnc(SC(F)(F)c2nc3c(Cl)cccc3o2)n1 ZINC000073195842 EH Annotated Anodyne Fc1ccccc1Cc1nc(-c2nc(C(F)F)n[nH]2)n2ccccc12 ZINC000073195926 EH Annotated Anodyne CC(C)O[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1 ZINC000073196040 EH Annotated Anodyne CC(C)(C)CCNc1cc(N2CCN(C3CCCCC3)CC2)ncn1 ZINC000073196534 EH Annotated Anodyne Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C4(C)C)c2)n[nH]1 ZINC000073196563 EH Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CCC(=O)[C@]3(C)O[C@@H]3C[C@@H]12 ZINC000073196607 EH Annotated Mild O=C1NC(=O)[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000073197066 EH Annotated Anodyne O=C1NC(=O)[C@@H](c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000073197067 EH Annotated Anodyne O=C1NC(=O)[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000073197068 EH Annotated Anodyne C[C@H](Br)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000073197685 EH Annotated Reactive C[C@@H](Br)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000073197686 EH Annotated Reactive CCc1cc(=O)c2ccc(Sc3cccc(Cl)[n+]3[O-])cc2o1 ZINC000073198128 EH Annotated Anodyne Cc1ccnc(C(=O)c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)c1 ZINC000073198368 EH Annotated Anodyne O=C(CBr)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000073198621 EH Annotated Reactive C=C(CCC=C(C)C)[C@@H](CO)N(O)c1ccc(Br)cn1 ZINC000073198846 EH Annotated Mild C=C(CCC=C(C)C)[C@H](CO)N(O)c1ccc(Br)cn1 ZINC000073198847 EH Annotated Mild C=C(C)[C@@H](CC/C(C)=C/CO)N(O)c1ccc(Br)cn1 ZINC000073198848 EH Annotated Mild C=C(C)[C@H](CC/C(C)=C/CO)N(O)c1ccc(Br)cn1 ZINC000073198849 EH Annotated Mild Nc1nc2ccccc2nc1/N=C/c1ccc(CN2CCCCC2)cc1 ZINC000073200442 EH Annotated Mild Cc1noc2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000073220697 EH Annotated Anodyne Cc1noc2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000073220698 EH Annotated Anodyne O=C1CS[C@H](c2ccc(Cl)cc2)c2c(ccc3[nH]ncc23)N1 ZINC000073221121 EH Annotated Anodyne O=C1CS[C@@H](c2ccc(Cl)cc2)c2c(ccc3[nH]ncc23)N1 ZINC000073221123 EH Annotated Anodyne C=CC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(OC)cc2)OC1 ZINC000073222222 EH Annotated Anodyne C=CC1=C(C(=O)NC2CCCCC2)[C@H](c2ccc(OC)cc2)OC1 ZINC000073222224 EH Annotated Anodyne CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccn3)N=C2C)cc1 ZINC000073222283 EH Annotated Clean c1cnc2cc(-c3cnnn3C3C4CC5CC(C4)CC3C5)ccc2n1 ZINC000073222857 EH Annotated Anodyne CC[C@@H](C)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12 ZINC000073223108 EH Annotated Anodyne CC[C@H](C)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12 ZINC000073223110 EH Annotated Anodyne C/C=C/C=C\C(=O)[C@H]1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000073223242 EH Annotated Mild CC(=O)Nc1cc(O)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000073223506 EH Annotated Anodyne C=CC1=C(C(=O)NCc2ccccc2F)[C@H](c2ccc(F)cc2)OC1 ZINC000073223819 EH Annotated Anodyne C=CC1=C(C(=O)NCc2ccccc2F)[C@@H](c2ccc(F)cc2)OC1 ZINC000073223822 EH Annotated Anodyne CC1(C)NCCc2c1oc1cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000073223875 EH Annotated Anodyne c1cnc2cc(-c3cn(C4C5CC6CC(C5)CC4C6)nn3)ccc2n1 ZINC000073224933 EH Annotated Anodyne O=C(/C(=N\N=C/c1ccc(O)c(O)c1)c1ccccc1)c1ccccc1 ZINC000073230141 EH Annotated Mild O=c1c2c3c(sc2nnn1-c1ccc2ccccc2c1)CCCC3 ZINC000073240646 EH Annotated Anodyne C(#C[C@@]12CCC[C@@H]1N(Cc1ccccc1)CO2)c1ccc2c(c1)OCO2 ZINC000073241930 EH Annotated Mild CCCC[C@]1(N=[N+]=[N-])C(=O)[C@@H]2C=CC=C3c4ccccc4N(C1=O)[C@@H]32 ZINC000073242985 EH Annotated Clean CCCC[C@@]1(N=[N+]=[N-])C(=O)[C@@H]2C=CC=C3c4ccccc4N(C1=O)[C@@H]32 ZINC000073242986 EH Annotated Clean CCCC[C@@]1(N=[N+]=[N-])C(=O)[C@H]2C=CC=C3c4ccccc4N(C1=O)[C@@H]32 ZINC000073242987 EH Annotated Clean C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 ZINC000073257559 EH Annotated Anodyne C[C@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 ZINC000073257560 EH Annotated Anodyne C[C@@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 ZINC000073257561 EH Annotated Anodyne C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 ZINC000073257562 EH Annotated Anodyne Cn1c2ccccc2c(=NNc2ccc(C(=O)O)cc2)c2ccccc21 ZINC000073276883 EH Annotated Bother CN(C)CCN1CCCc2cc(NC(=N)c3cccs3)cc(F)c21 ZINC000073277644 EH Annotated Anodyne COc1ccc(N)c(C2=NN(C(=O)C3CCCCC3)C(C)(C)S2)c1 ZINC000073278991 EH Annotated Anodyne COc1ccc(N)c(C2=NN(C(=O)c3ccccc3)C(C)(C)S2)c1 ZINC000073278993 EH Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 ZINC000073279958 EH Annotated Clean CC(=O)c1c(NNc2nc(-c3ccccc3)cs2)cc(C)oc1=O ZINC000073280564 EH Annotated Anodyne COc1cc2nncc(-c3ccc(N(C)C(C)C)nc3)c2cc1OC ZINC000073295693 EH Annotated Anodyne COc1cc2nncc(-c3ccc(NCC(C)C)nc3)c2cc1OC ZINC000073295695 EH Annotated Anodyne COc1cc2nncc(-c3cnc(NC(C)C)c(F)c3)c2cc1OC ZINC000073296007 EH Annotated Anodyne N#Cc1ccc(Nc2nc(N)cc(Cc3c(F)cccc3F)n2)cc1 ZINC000073296649 EH Annotated Mild CN(C)CCCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O ZINC000073312740 EH Annotated Anodyne C[C@@](O)(CSc1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000073330439 EH Annotated Anodyne C[C@](O)(CSc1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000073330441 EH Annotated Anodyne CCCCCCCCCCCC[N+]12CC[N+](CCN)(CC1)CC2 ZINC000073370090 EH Annotated Mild C[C@]12Nc3ccccc3C1=C(c1ccccc1)C[C@H]1C(=O)OC(=O)[C@@H]12 ZINC000073373071 EH Annotated Reactive C[C@@]12Nc3ccccc3C1=C(c1ccccc1)C[C@H]1C(=O)OC(=O)[C@@H]12 ZINC000073373073 EH Annotated Reactive COc1cc(C)c(-c2nn3c(C)cc(C(C)C)c3c(=O)n2C)c(C)c1 ZINC000073385883 EH Annotated Anodyne CCCNc1ccc(C(=O)COc2ccccc2Br)cn1 ZINC000073386589 EH Annotated Anodyne COc1ccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3C)cn1 ZINC000074373029 EH Annotated Anodyne Cc1ccccc1NC(=O)C[C@]1(C)N=C(c2ccccc2C)N(C)O1 ZINC000074373201 EH Annotated Anodyne Cc1ccccc1NC(=O)C[C@@]1(C)N=C(c2ccccc2C)N(C)O1 ZINC000074373205 EH Annotated Anodyne CN1O[C@@](C)(CC(=O)Nc2ccccc2)N=C1c1ccccc1Cl ZINC000074373284 EH Annotated Anodyne CN1O[C@](C)(CC(=O)Nc2ccccc2)N=C1c1ccccc1Cl ZINC000074373287 EH Annotated Anodyne CCCN1C(=O)COCc2cc(-c3ccc(OC)c(OC)c3)ccc21 ZINC000074374747 EH Annotated Anodyne CCCN1C(=O)COCc2cc(-c3cccc(COC)c3)ccc21 ZINC000074374750 EH Annotated Anodyne COc1cc(F)ccc1-c1ccc2c(c1)COCC(=O)N2CC1CC1 ZINC000074374766 EH Annotated Anodyne COc1ccc(-c2ccc3c(c2)COCC(=O)N3C(C)C)cc1OC ZINC000074374824 EH Annotated Anodyne CCCN1C(=O)COCc2cc(-c3cc(F)ccc3OC)ccc21 ZINC000074374887 EH Annotated Anodyne COc1ccc(F)cc1-c1ccc2c(c1)N(CC1CC1)C(=O)COC2 ZINC000074374889 EH Annotated Anodyne COCc1cccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c1 ZINC000074374983 EH Annotated Anodyne CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3C(C)C)c1 ZINC000074374993 EH Annotated Anodyne COc1ccc(F)cc1-c1ccc2c(c1)COCC(=O)N2CC1CC1 ZINC000074375037 EH Annotated Anodyne COCCN1C(=O)COCc2cc(-c3ccc(Cl)cc3)ccc21 ZINC000074375043 EH Annotated Anodyne O=C1COCc2ccc(-c3cc(F)cc(F)c3)cc2N1CC1CC1 ZINC000074375097 EH Annotated Anodyne COCc1cccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)c1 ZINC000074375152 EH Annotated Anodyne O=C1COCc2cc(-c3ccncc3)ccc2N1CCc1ccccc1 ZINC000074375189 EH Annotated Anodyne COCCN1C(=O)COCc2cc(-c3cc(F)cc(Cl)c3)ccc21 ZINC000074375220 EH Annotated Anodyne COCc1cccc(-c2ccc3c(c2)COCC(=O)N3C(C)C)c1 ZINC000074375294 EH Annotated Anodyne CC(=O)Nc1cccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)c1 ZINC000074375308 EH Annotated Anodyne CCCN1C(=O)COCc2cc(-c3ccc(OC)cc3C)ccc21 ZINC000074375340 EH Annotated Anodyne COCCN1C(=O)COCc2cc(-c3cccc(C(C)C)c3)ccc21 ZINC000074375360 EH Annotated Anodyne CCCN1C(=O)COCc2cc(-c3ccc(F)cc3OC)ccc21 ZINC000074375370 EH Annotated Anodyne Cn1cc(-c2ccc3c(c2)COCC(=O)N3CC2CCCCC2)cn1 ZINC000074375374 EH Annotated Anodyne COc1cc(F)ccc1-c1ccc2c(c1)COCC(=O)N2C(C)C ZINC000074375443 EH Annotated Anodyne COc1ccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)c(C)c1 ZINC000074375479 EH Annotated Anodyne COCc1cccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)c1 ZINC000074375530 EH Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3cccc(C(C)C)c3)cc21 ZINC000074375561 EH Annotated Anodyne Cn1cc(-c2ccc3c(c2)N(CC2CCCCC2)C(=O)COC3)cn1 ZINC000074375570 EH Annotated Anodyne COc1ccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)cc1OC ZINC000074375632 EH Annotated Anodyne COc1ccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c(C)c1 ZINC000074375646 EH Annotated Anodyne COCCN1C(=O)COCc2cc(-c3ccc(F)c(Cl)c3)ccc21 ZINC000074375669 EH Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3cc(F)cc(Cl)c3)cc21 ZINC000074375711 EH Annotated Anodyne COc1cc(F)ccc1-c1ccc2c(c1)N(CC1CC1)C(=O)COC2 ZINC000074375732 EH Annotated Anodyne Cc1ccc(CN2C(=O)COCc3cc(Br)ccc32)cc1 ZINC000074375796 EH Annotated Anodyne COCCN1C(=O)COCc2cc(-c3cc4ccccc4o3)ccc21 ZINC000074375814 EH Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3ccc(F)c(Cl)c3)cc21 ZINC000074375855 EH Annotated Anodyne COc1cc(F)ccc1-c1ccc2c(c1)N(C(C)C)C(=O)COC2 ZINC000074375915 EH Annotated Anodyne O=C1COCc2ccc(Br)cc2N1CCc1ccccc1 ZINC000074375931 EH Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]12 ZINC000074377776 EH Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]12 ZINC000074377781 EH Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]12 ZINC000074377784 EH Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]12 ZINC000074377790 EH Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)Nc3c(C)cccc3C)C[C@H]12 ZINC000074378273 EH Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)Nc3c(C)cccc3C)C[C@H]12 ZINC000074378277 EH Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)Nc3c(C)cccc3C)C[C@@H]12 ZINC000074378282 EH Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)Nc3c(C)cccc3C)C[C@@H]12 ZINC000074378286 EH Annotated Anodyne COCCNc1nccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 ZINC000074386233 EH Annotated Anodyne Fc1cccc(-c2nc3c(NCCc4ccccn4)nccc3[nH]2)c1 ZINC000074386543 EH Annotated Anodyne CC(C)c1cccc(-c2nc3c(N4CCN(C)CC4)nccc3[nH]2)c1 ZINC000074386627 EH Annotated Anodyne COc1cccc(-c2nc3/c(=N/c4ccccc4)[nH]ccc3[nH]2)c1F ZINC000074386790 EH Annotated Anodyne COc1cccc(Nc2nccc3c2cc(-c2cnn(C)c2)n3C)c1 ZINC000074386823 EH Annotated Anodyne O/C(=N\c1cccc(F)c1)Nc1ccc2nc(-c3cccnc3)nn2c1 ZINC000074387256 EH Annotated Mild O/C(=N\c1ccc2nc(-c3cccc(F)c3)nn2c1)c1ccccn1 ZINC000074387263 EH Annotated Mild O=C(Nc1ccc2nc(Cc3ccccc3)nn2c1)c1cccs1 ZINC000074387267 EH Annotated Anodyne Cc1noc(C)c1/C(O)=N/c1ccc2nc(-c3cccs3)nn2c1 ZINC000074387292 EH Annotated Mild Cc1ccc(-c2cnn(C(C)(C)C(=O)NCc3ccco3)c2)c(C)c1 ZINC000074387664 EH Annotated Anodyne Clc1cccc(CNc2ccc3ncc(Br)n3n2)c1 ZINC000074387832 EH Annotated Anodyne Cc1ccc(CNc2ccc3ncc(Br)n3n2)c(C)c1 ZINC000074387979 EH Annotated Anodyne COc1cccc(-c2n[nH]c3ccnc(-c4ccc(OC)nc4)c23)c1 ZINC000074388363 EH Annotated Anodyne CNc1nc2cnc(Nc3cccc(OC)c3)cc2n1Cc1ccco1 ZINC000074388373 EH Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)cc3C)cc2n1CC1CC1 ZINC000074388694 EH Annotated Anodyne COCCn1cnc2cnc(Nc3ccc(C(F)(F)F)cc3)cc21 ZINC000074388703 EH Annotated Anodyne O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccc(F)c1 ZINC000007568775 EH Annotated Anodyne O=[N+]([O-])c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12 ZINC000007798198 EH Annotated Anodyne COc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 ZINC000007903900 EH Annotated Anodyne COc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 ZINC000007903904 EH Annotated Anodyne CC(C)=C1[C@H]2C=C[C@@H]1[C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H]2C(=O)O ZINC000007991236 EH Annotated Anodyne CCCn1c(C)nc2c(N[C@@H](C)CCCN(CC)CC)nc(C)nc21 ZINC000007991876 EH Annotated Anodyne CCCn1c(C)nc2c(N[C@H](C)CCCN(CC)CC)nc(C)nc21 ZINC000007991877 EH Annotated Anodyne COc1ccc(-c2ccccc2[C@H]2N[C@@H](C(=O)O)CC[C@@H]2C)cc1 ZINC000007992027 EH Annotated Anodyne COc1ccc(-c2ccccc2[C@H]2N[C@H](C(=O)O)CC[C@@H]2C)cc1 ZINC000007992029 EH Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@H](OC)c1ccccc1Br ZINC000007992083 EH Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@@H](OC)c1ccccc1Br ZINC000007992084 EH Annotated Anodyne COC(=O)C/C=C/[C@@H](C)[C@@H](OC)c1ccccc1Br ZINC000007992085 EH Annotated Anodyne C=CCOC(=O)/C=C/NC(=O)/C=C/C=C/CCCCCCC[C@H](C)O ZINC000007992376 EH Annotated Mild C=CCOC(=O)/C=C/NC(=O)/C=C/C=C/CCCCCCC[C@@H](C)O ZINC000007992377 EH Annotated Mild CC(C)N(CC[C@H](O)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000075220341 EH Annotated Anodyne CC(C)N(CC[C@@H](O)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000075220343 EH Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000075402903 EH Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(C)o2)cc1Cl ZINC000075402968 EH Annotated Anodyne CC1=C(C(=O)c2ccccc2)[C@H](/C=C/c2ccccc2)NC(=S)N1 ZINC000076253885 EH Annotated Mild CC1=C(C(=O)c2ccccc2)[C@@H](/C=C/c2ccccc2)NC(=S)N1 ZINC000076253886 EH Annotated Mild CCCCCCC#C[C@@H]1C=C[C@H](Oc2ccc(C=O)cc2)[C@H](CO)O1 ZINC000008019343 EH Annotated Mild CCCCCCC#C[C@H]1C=C[C@H](Oc2ccc(C=O)cc2)[C@H](CO)O1 ZINC000008019350 EH Annotated Mild CCCCCCC#C[C@@H]1C=C[C@@H](Oc2ccc(C=O)cc2)[C@H](CO)O1 ZINC000008019360 EH Annotated Mild CCOc1cc2c(cc1/C=C/c1noc(C)c1[N+](=O)[O-])O[C@H](C)C2 ZINC000008038771 EH Annotated Bother CCOc1cc2c(cc1/C=C/c1noc(C)c1[N+](=O)[O-])O[C@@H](C)C2 ZINC000008038776 EH Annotated Bother COCc1cc(O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 ZINC000008206279 EH Annotated Anodyne CCOc1cc([C@H]2NC(=O)NC3=C2CCc2ccccc23)ccc1O ZINC000008254231 EH Annotated Anodyne CCOc1cc([C@@H]2NC(=O)NC3=C2CCc2ccccc23)ccc1O ZINC000008254257 EH Annotated Anodyne C/C(=N\Nc1nccnc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000008382570 EH Annotated Mild CC(=O)Nc1ccc(N2N=C(C)[C@H](/N=N\c3ccccc3)C2=O)cc1 ZINC000008430809 EH Annotated Clean C=C1[C@H]2CC[C@H]3[C@](CC[C@@H]4[C@]5(C)CCC[C@]34[C@H]3OCCN3C5)(C2)[C@H]1O ZINC000080052519 EH Annotated Mild in-vitro Brc1ccc(Cn2cc(COc3ccccc3)nn2)cc1 ZINC000081282706 EH Annotated Anodyne COC(=O)C(=O)[C@@H]1c2ccccc2N2C=Cc3c([nH]c4ccccc34)[C@H]12 ZINC000082047412 EH Annotated Anodyne COC(=O)C(=O)[C@H]1c2ccccc2N2C=Cc3c([nH]c4ccccc34)[C@H]12 ZINC000082047415 EH Annotated Anodyne COC(=O)C(=O)[C@@H]1c2ccccc2N2C=Cc3c([nH]c4ccccc34)[C@@H]12 ZINC000082047417 EH Annotated Anodyne COC(=O)C(=O)[C@H]1c2ccccc2N2C=Cc3c([nH]c4ccccc34)[C@@H]12 ZINC000082047420 EH Annotated Anodyne C=Nc1nc(Cc2ccc(OC)cc2)c(Cc2ccc(O)cc2)n1C ZINC000082047486 EH Annotated Mild CCCN(CCC)C[C@H]1C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@]3(C)CC[C@@H]12 ZINC000082051188 EH Annotated Mild CCCN(CCC)C[C@@H]1C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@]3(C)CC[C@H]21 ZINC000082051189 EH Annotated Mild C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3C=C12 ZINC000082051250 EH Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccco4)[C@H]3C=C12 ZINC000082051251 EH Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3C[C@@H]12 ZINC000082051507 EH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3C[C@H]12 ZINC000082051510 EH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccco4)[C@H]3C[C@@H]12 ZINC000082051511 EH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccco4)[C@H]3C[C@H]12 ZINC000082051514 EH Annotated Mild CC(=O)Cc1nsc(N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000082051991 EH Annotated Anodyne CC(=N)N(C(=S)N1CCC[C@H](CO)C1)c1ccc(C(C)C)cc1 ZINC000082052078 EH Annotated Anodyne CC(=N)N(C(=S)N1CCC[C@@H](CO)C1)c1ccc(C(C)C)cc1 ZINC000082052080 EH Annotated Anodyne C[C@H](O)Cc1nsc(Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000082052293 EH Annotated Anodyne C[C@@H](O)Cc1nsc(Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000082052294 EH Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNNc4ccccc4)[C@H]3C[C@@H]12 ZINC000082053006 EH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNNc4ccccc4)[C@H]3C[C@H]12 ZINC000082053007 EH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNNc4ccccc4)[C@H]3C[C@@H]12 ZINC000082053009 EH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNNc4ccccc4)[C@H]3C[C@H]12 ZINC000082053011 EH Annotated Mild Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)cc(C(F)(F)F)c12 ZINC000082053403 EH Annotated Anodyne CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC)CC)n1 ZINC000082067048 EH Annotated Anodyne CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC)CC)n1 ZINC000082067050 EH Annotated Anodyne C=CCN(C)c1nc(N[C@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067244 EH Annotated Mild C=CCN(C)c1nc(N[C@@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067245 EH Annotated Mild CN(CCO)c1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 ZINC000082067722 EH Annotated Anodyne C=C(C)CN(CC)c1cc(Oc2cc(OC)cc(OC)c2)ncn1 ZINC000082067727 EH Annotated Mild c1ccc(CCNc2cc(Oc3cccc4cccnc34)ncn2)nc1 ZINC000082067755 EH Annotated Anodyne Clc1cccc(Oc2cc(NCCc3ccccn3)ncn2)c1 ZINC000082067766 EH Annotated Anodyne Clc1ccccc1Oc1cc(NCCc2ccccn2)ncn1 ZINC000082067779 EH Annotated Anodyne CC(=O)Nc1cccc(Oc2cc(N(C)C3CCCCC3)ncn2)c1 ZINC000082067818 EH Annotated Anodyne COc1ccccc1CNc1cc(Oc2ccccc2OC)ncn1 ZINC000082068265 EH Annotated Anodyne c1cncc(CNc2cc(Oc3cccc4cccnc34)ncn2)c1 ZINC000082068309 EH Annotated Anodyne COc1cccc(CNc2cncc(Oc3ccccc3)n2)c1OC ZINC000082068589 EH Annotated Anodyne CCCCOCCCNc1cncc(Oc2ccccc2OC)n1 ZINC000082068635 EH Annotated Anodyne COc1ccc(Oc2cncc(NCCCCO)n2)c2ccccc12 ZINC000082068693 EH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082075143 EH Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)OCCCCN(C)C)cs1 ZINC000082075145 EH Annotated Anodyne COc1ccc(Nc2nccc3c2cc(-c2cnn(C)c2)n3C)cc1 ZINC000082078103 EH Annotated Anodyne COc1ccccc1[C@@H](O)c1nnc(Nc2ccccc2C)s1 ZINC000082078193 EH Annotated Anodyne COc1ccccc1[C@H](O)c1nnc(Nc2ccccc2C)s1 ZINC000082078194 EH Annotated Anodyne COc1cccc([C@@H](O)c2nnc(Nc3ccccc3C)s2)c1 ZINC000082078258 EH Annotated Anodyne COc1cccc([C@H](O)c2nnc(Nc3ccccc3C)s2)c1 ZINC000082078259 EH Annotated Anodyne COc1ccccc1/C(O)=N/c1ccc2nc(-c3ccoc3)nn2c1 ZINC000082078357 EH Annotated Mild Cc1cccc(C/N=c2\[nH]c3cnc(-c4cccc(O)c4)cc3n2C)c1 ZINC000082078422 EH Annotated Anodyne COc1ccccc1[C@@H](O)c1nnc(Nc2c(C)cccc2C)s1 ZINC000082078471 EH Annotated Anodyne COc1ccccc1[C@H](O)c1nnc(Nc2c(C)cccc2C)s1 ZINC000082078472 EH Annotated Anodyne COc1cccc([C@@H](O)c2nnc(Nc3c(C)cccc3C)s2)c1 ZINC000082078551 EH Annotated Anodyne COc1cccc([C@H](O)c2nnc(Nc3c(C)cccc3C)s2)c1 ZINC000082078552 EH Annotated Anodyne O/C(=N\c1ccccc1)Nc1ccc2nc(Cc3ccccc3)nn2c1 ZINC000082081937 EH Annotated Mild Cc1noc(C)c1/C(O)=N/c1ccc2nc(-c3ccsc3)nn2c1 ZINC000082081942 EH Annotated Mild C/N=c1\[nH]c2cnc(Nc3cccc(C)c3)cc2n1Cc1ccccc1 ZINC000082081958 EH Annotated Anodyne COc1ccc(OC)c([C@H](O)c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000082082145 EH Annotated Anodyne COc1ccc(OC)c([C@@H](O)c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000082082146 EH Annotated Anodyne Cc1cccc(-c2nc3c(NCCc4ccccn4)nccc3[nH]2)c1 ZINC000082082182 EH Annotated Anodyne CC(C)[C@@H](CO)Nc1nccc2[nH]c(-c3ccccc3Cl)nc12 ZINC000082082483 EH Annotated Anodyne COc1ccc([C@@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 ZINC000082083463 EH Annotated Anodyne COc1ccc([C@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 ZINC000082083465 EH Annotated Anodyne CC(C)[C@H](O)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 ZINC000082084122 EH Annotated Anodyne CC(C)[C@@H](O)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 ZINC000082084123 EH Annotated Anodyne CN(C)C(C)(C)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082086391 EH Annotated Anodyne CN(C)C(C)(C)COC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086436 EH Annotated Anodyne CN(C)CCCCOC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086437 EH Annotated Anodyne C[C@@H]1CC[C@]2(C)C(CO)=CCC[C@@H]2[C@]1(C)CC/C(=C/C(=O)O)CO ZINC000082123151 EH Annotated Anodyne C[C@@H]1CC[C@@]2(C)[C@]3(C)CC[C@]2(OC3=O)[C@]12C[C@H](c1ccoc1)OC2=O ZINC000082123417 EH Annotated Anodyne CC[C@@H]1CCCCN1[C@H]1Sc2ccc(C(=O)OC)cc2N=C1O ZINC000082124833 EH Annotated Anodyne CC[C@H]1CCCCN1[C@H]1Sc2ccc(C(=O)OC)cc2N=C1O ZINC000082124835 EH Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccco2)n1 ZINC000082142173 EH Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccco2)n1 ZINC000082142175 EH Annotated Anodyne CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccco2)n1 ZINC000082142694 EH Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 ZINC000082146568 EH Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 ZINC000082146571 EH Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2cccc(C)c2)n1 ZINC000082147652 EH Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2cccc(C)c2)n1 ZINC000082147656 EH Annotated Anodyne Cc1c(C(=O)N(C#N)Cc2ccccc2)ncn1Cc1ccc(F)cc1 ZINC000082150892 EH Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 ZINC000082152135 EH Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 ZINC000082152137 EH Annotated Anodyne Cc1cc(Cl)cc2c([C@H](O)c3ccncc3)c3c(C)n[nH]c3nc12 ZINC000082152169 EH Annotated Anodyne Cc1cc(Cl)cc2c([C@@H](O)c3ccncc3)c3c(C)n[nH]c3nc12 ZINC000082152171 EH Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccccc2F)n1 ZINC000082153027 EH Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccccc2F)n1 ZINC000082153028 EH Annotated Anodyne CSc1ccc(COCC#C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000082153755 EH Annotated Mild CSc1ccc(COCC#C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000082153757 EH Annotated Mild O=C(O)c1ccc(=O)n2c1sc1ccc(OC3CCCCC3)cc12 ZINC000082154011 EH Annotated Anodyne O=c1[nH]c2ncc(-c3ccc4[nH]ccc4c3)nc2n1CC1CCCCC1 ZINC000082154585 EH Annotated Anodyne COc1ccc([C@H](O)C#CCOCc2ccc(SC)cc2)cc1 ZINC000082154924 EH Annotated Mild COc1ccc([C@@H](O)C#CCOCc2ccc(SC)cc2)cc1 ZINC000082154926 EH Annotated Mild O=C(CCl)Sc1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000082156007 EH Annotated Reactive CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccccc1O ZINC000082157411 EH Annotated Clean CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccccc1O ZINC000082157413 EH Annotated Clean C=CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(OC)cc2)OC1 ZINC000082157861 EH Annotated Anodyne C=CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(OC)cc2)OC1 ZINC000082157862 EH Annotated Anodyne C=CC1=C(C(=O)NCc2ccc(C)cc2)[C@@H](c2ccc(OC)cc2)OC1 ZINC000082157863 EH Annotated Anodyne C=CC1=C(C(=O)NCc2ccc(C)cc2)[C@H](c2ccc(OC)cc2)OC1 ZINC000082157864 EH Annotated Anodyne O=C1CS[C@H](c2ccc3c(c2)OCO3)c2c(ccc3[nH]ccc23)N1 ZINC000082158131 EH Annotated Anodyne O=C1CS[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3[nH]ccc23)N1 ZINC000082158132 EH Annotated Anodyne CCN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc(C)c1 ZINC000082160080 EH Annotated Anodyne O=[N+]([O-])c1cccc(-c2cc(NCCc3ccccc3F)ncn2)c1 ZINC000082160197 EH Annotated Bother CCC(CC)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 ZINC000082160238 EH Annotated Anodyne CC[C@@H](C)CNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 ZINC000082160648 EH Annotated Anodyne CC[C@H](C)CNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 ZINC000082160651 EH Annotated Anodyne CCCCOCCCNc1cc(-c2cc(OC)ccc2OC)ncn1 ZINC000082160750 EH Annotated Anodyne COc1ccc(OC)c(-c2cc(NCc3ccccc3F)ncn2)c1 ZINC000082161241 EH Annotated Anodyne CCCCOCCCNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 ZINC000082161634 EH Annotated Bother CCCCOCCCNc1cc(-c2cc(F)ccc2OC)ncn1 ZINC000082161756 EH Annotated Anodyne COc1ccc(F)cc1-c1cc(NC2Cc3ccccc3C2)ncn1 ZINC000082161766 EH Annotated Anodyne CCC[C@@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 ZINC000082161782 EH Annotated Anodyne CCC[C@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 ZINC000082161783 EH Annotated Anodyne O=[N+]([O-])c1cccc(-c2cc(NC3Cc4ccccc4C3)ncn2)c1 ZINC000082161918 EH Annotated Bother COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2)n1 ZINC000082162508 EH Annotated Anodyne CCc1cnc(-c2cnc(NCCOC)nc2-c2ccccc2)s1 ZINC000082163338 EH Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 ZINC000082163339 EH Annotated Anodyne CCN1CCN(C(=O)c2cc3cc4ccc(C)cc4nc3s2)CC1 ZINC000082163739 EH Annotated Anodyne COCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164110 EH Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082165023 EH Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccco2)n1 ZINC000082165256 EH Annotated Anodyne CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccco2)s1 ZINC000082165359 EH Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccco2)n1 ZINC000082165360 EH Annotated Anodyne Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccco2)oc1C ZINC000082165664 EH Annotated Anodyne Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccco2)oc1C ZINC000082165665 EH Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccco2)n1 ZINC000082166296 EH Annotated Anodyne COCCCNc1ncc(-c2ncc(C)o2)c(-c2cccc(C)c2)n1 ZINC000082167426 EH Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc(C)c2)n1 ZINC000082173894 EH Annotated Anodyne COCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 ZINC000082175110 EH Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 ZINC000082176100 EH Annotated Anodyne COCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2C)n1 ZINC000082177149 EH Annotated Anodyne COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2C)n1 ZINC000082177692 EH Annotated Anodyne COCCn1c(C2CCCCC2)nc2c(NCC(C)C)ncnc21 ZINC000082177982 EH Annotated Anodyne CC(C)CNc1ncnc2c1nc(C(C)C)n2CCN1CCCCC1 ZINC000082178121 EH Annotated Anodyne CC(C)CNc1ncnc2c1nc(C(C)C)n2CCc1ccccn1 ZINC000082178127 EH Annotated Anodyne CC(C)CNc1ncnc2c1nc(C(C)C)n2CC[C@@H]1CCCN1C ZINC000082178132 EH Annotated Anodyne CC(C)CNc1ncnc2c1nc(C(C)C)n2CC[C@H]1CCCN1C ZINC000082178134 EH Annotated Anodyne CCC(CC)c1nc2c(NCC(C)C)ncnc2n1C[C@@H]1CCCO1 ZINC000082178160 EH Annotated Anodyne CCC(CC)c1nc2c(NCC(C)C)ncnc2n1C[C@H]1CCCO1 ZINC000082178161 EH Annotated Anodyne COCCn1c(C(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179349 EH Annotated Anodyne COCCn1c(C(C)C)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180442 EH Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCC3CC3)ncnc21 ZINC000082181430 EH Annotated Anodyne CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCC3CC3)ncnc21 ZINC000082181431 EH Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 ZINC000082181445 EH Annotated Anodyne CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 ZINC000082181446 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccsc1)n2CCOC ZINC000082186459 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CCOC ZINC000082186566 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccs1)n2CCOC ZINC000082186608 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(CCC)n2C[C@@H]1CCCO1 ZINC000082186841 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(CCC)n2C[C@H]1CCCO1 ZINC000082186845 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(C(CC)CC)n2CCOC ZINC000082186891 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2CCOC ZINC000082186933 EH Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(N)=O)ccc3n2C(C)C)cc1 ZINC000082191526 EH Annotated Anodyne Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC(C)C)n2)c(C)c1 ZINC000082191938 EH Annotated Anodyne Cc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NC(C)C)n1 ZINC000082191949 EH Annotated Anodyne Cc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NCC(C)C)n1 ZINC000082191977 EH Annotated Anodyne COc1ccccc1-c1csc(NCC(=O)NC2CCCCC2)n1 ZINC000082192088 EH Annotated Anodyne Cc1cnc(N2CCSCC2)nc1Nc1ccc2c(c1)CCC2 ZINC000082202345 EH Annotated Anodyne CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)C1 ZINC000082202467 EH Annotated Anodyne CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)C1 ZINC000082202468 EH Annotated Anodyne CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)C1 ZINC000082202470 EH Annotated Anodyne CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)C1 ZINC000082202472 EH Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)CC1 ZINC000082202474 EH Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCC[C@H]3C)ncc2C)CC1 ZINC000082202476 EH Annotated Anodyne Cc1cnc(N2CCC[C@@H]2C)nc1NCCCN(C)c1ccccc1 ZINC000082202483 EH Annotated Anodyne CCOc1ccc(CCNc2nc(N3CCC[C@@H]3C)ncc2C)cc1 ZINC000082202485 EH Annotated Anodyne CCOc1ccc(CCNc2nc(N3CCC[C@H]3C)ncc2C)cc1 ZINC000082202487 EH Annotated Anodyne Cc1cnc(N2CCSCC2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000082202594 EH Annotated Anodyne Cc1cnc(N2CCSCC2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000082202596 EH Annotated Anodyne Cc1cnc(N2CCSCC2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000082202598 EH Annotated Anodyne Cc1cnc(N2CCSCC2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000082202600 EH Annotated Anodyne CCN1CCN(c2ncc(C)c(N[C@@H]3C[C@H](C)CC(C)(C)C3)n2)CC1 ZINC000082202661 EH Annotated Anodyne CCN1CCN(c2ncc(C)c(N[C@H]3C[C@H](C)CC(C)(C)C3)n2)CC1 ZINC000082202663 EH Annotated Anodyne CCN1CCN(c2ncc(C)c(N[C@@H]3C[C@@H](C)CC(C)(C)C3)n2)CC1 ZINC000082202665 EH Annotated Anodyne CCN1CCN(c2ncc(C)c(N[C@H]3C[C@@H](C)CC(C)(C)C3)n2)CC1 ZINC000082202667 EH Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1Nc1ccc2c(c1)CCC2 ZINC000082203625 EH Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1Nc1ccc2c(c1)CCC2 ZINC000082203629 EH Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1Nc1ccc2c(c1)CCC2 ZINC000082203631 EH Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@@H](C)c1ccc(F)cc1 ZINC000082203675 EH Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@H](C)c1ccc(F)cc1 ZINC000082203678 EH Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1N[C@@H](C)c1ccc(F)cc1 ZINC000082203680 EH Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1N[C@H](C)c1ccc(F)cc1 ZINC000082203681 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)C)n2C[C@@H]1CCCO1 ZINC000082222738 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)C)n2C[C@H]1CCCO1 ZINC000082222739 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(C(C)C)n2C[C@H]1CCCO1 ZINC000082222751 EH Annotated Anodyne CCCCCNc1ncnc2c1nc(C(C)C)n2C[C@@H]1CCCO1 ZINC000082226288 EH Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1O ZINC000082231276 EH Annotated Mild CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 ZINC000082231333 EH Annotated Anodyne CCCCc1nc2nc(N3C[C@H](CC)CC[C@@H]3C)ccc2[nH]c1=O ZINC000082231360 EH Annotated Anodyne CCCCc1nc2nc(N3C[C@@H](CC)CC[C@@H]3C)ccc2[nH]c1=O ZINC000082231361 EH Annotated Anodyne CN(c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1)C1CCCCC1 ZINC000082231388 EH Annotated Anodyne CC[C@@H]1CCCCN1c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000082231642 EH Annotated Anodyne CC[C@H]1CCCCN1c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000082231643 EH Annotated Anodyne CC[C@@H](C)c1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231688 EH Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231689 EH Annotated Anodyne CC[C@@H](C)c1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O ZINC000082231698 EH Annotated Anodyne CC[C@H](C)c1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O ZINC000082231699 EH Annotated Anodyne CC[C@@H](C)c1nc2nc(N(CC)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231700 EH Annotated Anodyne CC[C@H](C)c1nc2nc(N(CC)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231701 EH Annotated Anodyne CC(C)Cc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231704 EH Annotated Anodyne CC(C)Cc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231705 EH Annotated Anodyne CC(C)Cc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O ZINC000082231710 EH Annotated Anodyne CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CC(C)C)nc2n1 ZINC000082231711 EH Annotated Anodyne CCCCc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231725 EH Annotated Anodyne CCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231726 EH Annotated Anodyne CCCCc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O ZINC000082231731 EH Annotated Anodyne CCCCc1nc2nc(N(CC)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231732 EH Annotated Anodyne CN(Cc1ccccc1)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000082231748 EH Annotated Anodyne CC(C)c1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231751 EH Annotated Anodyne CC(C)c1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231752 EH Annotated Anodyne CCCCc1nc2nc(N(CC)C3CCCCC3)ccc2[nH]c1=O ZINC000082231770 EH Annotated Anodyne CC[C@@H](C)c1nc2nc(N(CC)C3CCCCC3)ccc2[nH]c1=O ZINC000082231783 EH Annotated Anodyne CC[C@H](C)c1nc2nc(N(CC)C3CCCCC3)ccc2[nH]c1=O ZINC000082231784 EH Annotated Anodyne CCN(c1ccc2[nH]c(=O)c(CC(C)C)nc2n1)C1CCCCC1 ZINC000082231791 EH Annotated Anodyne CCCN(CC1CC1)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000082231796 EH Annotated Anodyne CCCCC[C@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000083329131 EH Annotated Anodyne C[C@@H](/C=C/C(=O)O)[C@H]1O[C@@H](CC(=O)c2ccc(N)cc2)[C@H](C)C[C@H]1C ZINC000083920934 EH Annotated Anodyne in-vitro C[C@H](/C=C/C(=O)O)[C@H]1O[C@@H](CC(=O)c2ccc(N)cc2)[C@H](C)C[C@H]1C ZINC000083920935 EH Annotated Anodyne in-vitro Cc1ccc(Cn2cnc(C(=O)N(C#N)Cc3ccccc3)c2C)cc1 ZINC000084538263 EH Annotated Anodyne CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2O)nn1 ZINC000084587390 EH Annotated Anodyne CCOc1ccccc1-c1nc(O)c2n[nH]c(-c3ccccc3)c2n1 ZINC000084587490 EH Annotated Anodyne COc1cc(-c2ccc3ccn4ccnc4c3n2)cc(OC)c1OC ZINC000084596242 EH Annotated Anodyne O=C(NC1CC1)c1ccc(-n2cnc3c(Cl)cc(F)cc32)s1 ZINC000084597089 EH Annotated Anodyne CCOC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1C#CCCCC#N ZINC000084597127 EH Annotated Mild Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1 ZINC000084602048 EH Annotated Anodyne COC(=O)C1=C(c2ccc(-c3nccs3)cc2)C[C@H]2CC[C@@H]1O2 ZINC000084602058 EH Annotated Anodyne COC(=O)C1=C(c2ccc(-c3nccs3)cc2)C[C@@H]2CC[C@H]1O2 ZINC000084602060 EH Annotated Anodyne CCCc1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1 ZINC000084602509 EH Annotated Anodyne Clc1ncnc2c1ncn2[C@@H]1C[C@H]2C[C@H](Oc3ccccc3)[C@@H]1C2 ZINC000084602643 EH Annotated Anodyne Clc1ncnc2c1ncn2[C@H]1C[C@H]2C[C@@H]1C[C@@H]2Oc1ccccc1 ZINC000084603471 EH Annotated Anodyne Cc1cn(-c2ccc3c(N)ncnc3c2F)c2c1C(=O)CC(C)(C)C2 ZINC000084603759 EH Annotated Anodyne COC(=O)C1=C(c2cccc(-c3nccs3)c2)C[C@H]2CC[C@@H]1O2 ZINC000084604073 EH Annotated Anodyne COC(=O)C1=C(c2cccc(-c3nccs3)c2)C[C@@H]2CC[C@H]1O2 ZINC000084604074 EH Annotated Anodyne Oc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1CN1CCCC1 ZINC000084604474 EH Annotated Clean O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1ccccc1 ZINC000084604626 EH Annotated Anodyne CN(C)C(=O)[C@H]1C[C@H](c2cc3ccccc3c3ccccc23)N(C)O1 ZINC000084604858 EH Annotated Bother COc1c(O)cc2cc1Oc1ccc(cc1)CCCOC(=O)CC2 ZINC000084605155 EH Annotated Anodyne Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000084615848 EH Annotated Anodyne O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1Cc1ccncc1 ZINC000084616074 EH Annotated Anodyne CN1CCC(/N=C2\Nc3cc(Cl)ccc3Oc3ncccc32)CC1 ZINC000084616989 EH Annotated Mild COc1cc2c(cc1OC)-c1c(-c3cncs3)nc(C)n1CC2 ZINC000084617272 EH Annotated Anodyne Cc1ccc(-n2nnc(C(=O)/C=C/c3ccc(C#N)cc3)c2C)cc1 ZINC000084618667 EH Annotated Mild COc1ccc2c(c1N)CCC[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000084619849 EH Annotated Anodyne COc1ccc2c(c1N)CCC[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000084619851 EH Annotated Anodyne COc1ccc2c(c1O)CCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000084633883 EH Annotated Anodyne OCCNC(=S)/N=C(\Nc1cccc2ccccc12)c1ccccc1 ZINC000084635241 EH Annotated Mild OCCNC(=S)/N=C(\Nc1ccccc1)c1cccc2ccccc12 ZINC000084635245 EH Annotated Mild Brc1cccc(CNCCNc2nc3ccccc3o2)c1 ZINC000084635880 EH Annotated Anodyne O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1Cc1ccncc1 ZINC000084636015 EH Annotated Anodyne CCn1c(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21 ZINC000084636120 EH Annotated Mild Cc1nc(C)c(CN(Cc2nc(C)c(C)nc2C)C(C)(C)C)nc1C ZINC000084652008 EH Annotated Anodyne CCCCCc1cn(CC/C(C)=C/CSCCC(=O)OC)nn1 ZINC000084652054 EH Annotated Anodyne CCc1nn(Cc2cc(Cl)ccc2Cl)c(CC)c1CC(=O)O ZINC000084652196 EH Annotated Anodyne CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000084653362 EH Annotated Anodyne CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000084653363 EH Annotated Anodyne O[C@@H](CCN1CC=C(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2 ZINC000084653732 EH Annotated Anodyne O[C@H](CCN1CC=C(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2 ZINC000084653733 EH Annotated Anodyne CCn1c2c(c3ccccc31)C(=O)c1cnc3ccccc3c1C2=O ZINC000084653836 EH Annotated Clean COc1ccccc1C1=C(N2CCCC2)C(=O)c2ccccc2C1=O ZINC000084654922 EH Annotated Mild O=c1c(Cl)c(Cl)cnn1/C=C/c1ccc(Br)cc1 ZINC000084668397 EH Annotated Anodyne O=C(O)Cn1c(SCCCOc2ccccc2)nc2ccccc21 ZINC000084668620 EH Annotated Anodyne O=C1/C(=C/c2ccccc2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZINC000084668811 EH Annotated Anodyne CCCCCc1cn(CC/C(C)=C/CSCCC(=O)O)nn1 ZINC000084669668 EH Annotated Anodyne CCOC(=O)CC(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000084670069 EH Annotated Anodyne OCc1c(CO)c2sc3ccccc3n2c1-c1ccc(F)cc1 ZINC000084670921 EH Annotated Anodyne FC(F)(F)c1ccc(Oc2nc3ccsc3c3nnnn23)cc1 ZINC000084687677 EH Annotated Anodyne Cc1nn(C(=N)N)c(C)c1C1c2ccccc2CCc2ccccc21 ZINC000084687995 EH Annotated Anodyne Cc1c(C)n(C[C@H](O)CSc2cccc(N)c2)c2ccccc12 ZINC000084688138 EH Annotated Anodyne Cc1c(C)n(C[C@@H](O)CSc2cccc(N)c2)c2ccccc12 ZINC000084688139 EH Annotated Anodyne CN(C)C(=O)Oc1ccc2ccccc2c1I ZINC000084688147 EH Annotated Anodyne Clc1ccc(Oc2nc3ccsc3c3nnnn23)c(Cl)c1 ZINC000084689647 EH Annotated Anodyne O=C(CSc1ccc(Cl)cc1Cl)N/N=C/c1ccc[nH]1 ZINC000084690030 EH Annotated Reactive Cc1cc(N/N=C/c2ccc(C#N)cc2)c2cc3c(cc2n1)OCO3 ZINC000084690245 EH Annotated Mild C[C@]12CC[C@@H]3[C@](CC[C@@H]4[C@](C)(CO)CCC[C@@]34C)(C1)[C@@H](O)/C2=N\O ZINC000084690688 EH Annotated Mild Cc1cc(NC(=O)NC(=O)c2ccccc2F)c(C(C)C)cc1O ZINC000084690711 EH Annotated Anodyne COc1ccc(SC[C@H](O)Cn2ccc3ccccc32)c(OC)c1 ZINC000084690727 EH Annotated Anodyne COc1ccc(SC[C@@H](O)Cn2ccc3ccccc32)c(OC)c1 ZINC000084690728 EH Annotated Anodyne NCCNCCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000084690896 EH Annotated Anodyne CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2CN(CC3CC3)CC[C@@H]2C1 ZINC000084707591 EH Annotated Anodyne CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3c(O)cccc3O)c2O)O1 ZINC000084707684 EH Annotated Mild COC(=O)CCSC/C=C(\C)CCn1cc(-c2ccccc2)nn1 ZINC000084708422 EH Annotated Anodyne CC1(C)CCC2=C(O1)c1cccc(OC(=O)C(C)(C)C)c1C(=O)C2=O ZINC000084709122 EH Annotated Mild CC1(C)OC(=O)c2c1ccn(Cc1ccc(Cl)cc1Cl)c2=O ZINC000084712464 EH Annotated Anodyne C/C(=C\CSCCC(=O)O)CCn1cc(-c2ccsc2)nn1 ZINC000084712472 EH Annotated Anodyne COc1c2c(cc3c1[nH]c1ccccc13)[C@H]1O[C@@H]([C@H]2O)C(C)(C)O1 ZINC000084714185 EH Annotated Anodyne COc1ccc(C)c2sc(NS(=O)(=O)c3cccc(C)c3)nc12 ZINC000084723886 EH Annotated Anodyne Cc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2n1)OCO3 ZINC000084725410 EH Annotated Mild C[C@@H]1CCC[C@@H]1N1CCC(NC(=O)c2ccc3ncsc3c2)CC1 ZINC000084726223 EH Annotated Anodyne C[C@H]1CCC[C@@H]1N1CCC(NC(=O)c2ccc3ncsc3c2)CC1 ZINC000084726227 EH Annotated Anodyne C[C@@H]1CCC[C@H]1N1CCC(NC(=O)c2ccc3ncsc3c2)CC1 ZINC000084726231 EH Annotated Anodyne C[C@H]1CCC[C@H]1N1CCC(NC(=O)c2ccc3ncsc3c2)CC1 ZINC000084726234 EH Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1N1CCCCC1)c1ccc2ncsc2c1 ZINC000084728766 EH Annotated Anodyne CN(C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O)c1ccco1 ZINC000084729522 EH Annotated Anodyne O=C1Nc2ccccc2/C1=C\c1c(-c2ccccn2)nc2sccn12 ZINC000084730100 EH Annotated Anodyne O=c1c2sc3ccccc3c2nc2n1N=C(c1ccccc1)CS2 ZINC000084730364 EH Annotated Anodyne COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1C ZINC000084730761 EH Annotated Mild Cc1cccc(-c2nc(Nc3ccncn3)c3c(C)csc3n2)n1 ZINC000084731822 EH Annotated Anodyne CCOC(=O)c1cnc2ccc(C(C)=O)cc2c1SCCC#N ZINC000084739805 EH Annotated Mild Cn1c2c(c3ccccc31)/C(=N/OCC1CCCCC1)CCNC2=O ZINC000084740889 EH Annotated Mild O=P(O)(O)Oc1ccccc1-c1nc(-c2ccccc2)cs1 ZINC000084741526 EH Annotated Anodyne O=C(O)Cn1c(SCCCc2ccccc2)nc2ccccc21 ZINC000084759276 EH Annotated Anodyne COc1ccc([C@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1 ZINC000084759602 EH Annotated Anodyne COc1ccc([C@@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1 ZINC000084759603 EH Annotated Anodyne O=C(c1ccccc1)c1cnc2n[nH]cc2c1OCc1ccccc1 ZINC000008536591 EH Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccccc2)cc1Cl ZINC000008548249 EH Annotated Anodyne COc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN21 ZINC000008548269 EH Annotated Anodyne Oc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000008555900 EH Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(=O)[C@H]1[C@H]2c1cccs1 ZINC000008577790 EH Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(=O)[C@@H]1[C@@H]2c1cccs1 ZINC000008584574 EH Annotated Anodyne CCOc1ccccc1N(C)C(=O)NCc1noc2ccccc12 ZINC000008589294 EH Annotated Anodyne Cc1nn2c(C)c(C(=O)NCc3ccco3)cnc2c1-c1ccccc1 ZINC000008603294 EH Annotated Anodyne Cc1ccc(C)c(Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)c1 ZINC000008605833 EH Annotated Anodyne CCn1nc(C)c(CCN(C)C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000008609064 EH Annotated Anodyne Cc1ccc(S(=O)(=O)CCC(=O)OCc2cc(C)ccc2C)cc1 ZINC000008626452 EH Annotated Anodyne CC[C@H](C)/N=C(\O)c1cn(CC)c(=O)c2c1c1ccccc1n2C ZINC000008662567 EH Annotated Mild CC[C@@H](C)/N=C(\O)c1cn(CC)c(=O)c2c1c1ccccc1n2C ZINC000008662650 EH Annotated Mild COc1ccc(/C=N\n2c(SC)nnc2-c2ccccc2)cc1C ZINC000008666391 EH Annotated Mild CCCCNC(=O)c1onc(CSc2ccccc2C)c1C(=O)O ZINC000008672360 EH Annotated Anodyne CC[C@@H]1CCCN1Cn1cnc2c3cc(Cl)ccc3nc-2c1O ZINC000008680487 EH Annotated Anodyne CC[C@H]1CCCN1Cn1cnc2c3cc(Cl)ccc3nc-2c1O ZINC000008680488 EH Annotated Anodyne CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccs1 ZINC000008682088 EH Annotated Mild COC(=O)C/C=C/[C@@H](C)[C@@H](Cc1ccccc1Br)OC ZINC000008682236 EH Annotated Anodyne C/C(CC[C@H]1C[C@@H](C)OC1=O)=N\N=c1\[nH]c(-c2ccccc2)cs1 ZINC000008683204 EH Annotated Mild CC(C)C/N=C(\S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccco1 ZINC000008685984 EH Annotated Mild CCCC/N=C(\S)N(C)/N=C/c1c(F)c(F)c(F)c(F)c1F ZINC000008690588 EH Annotated Mild CCCCNC(=O)c1onc(CSc2cccc(C)c2)c1C(=O)O ZINC000008691320 EH Annotated Anodyne Fc1ccc(N/C(S)=N/N=C/c2ccc(F)c(F)c2)c(F)c1 ZINC000008828854 EH Annotated Mild Cc1cc(O)nc(/N=N/C(=N/Nc2ccc(O)cc2)c2ccccc2)n1 ZINC000008829127 EH Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1c(O)n(-c3ccccc3)nc21 ZINC000008829221 EH Annotated Clean CCOc1ccc(-c2cn(-c3cccc(SC)c3)c(=O)[nH]2)cc1 ZINC000008829986 EH Annotated Anodyne aggregator CC(C)OC(=O)[C@@H]1CC[C@H](C)[C@@H](CCC[C@@H]2CC=C[C@H](CC#N)O2)O1 ZINC000008860408 EH Annotated Mild CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000008860624 EH Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000008860625 EH Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C[C@@H](C=O)[C@@H](O)OO1 ZINC000085491483 EH Annotated Reactive in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@@H](CO)C(=O)O)[C@H](O)C1 ZINC000085492859 EH Annotated Anodyne in-vitro biogenic CC1=C(O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C\C1=CC(=O)OC1 ZINC000085506217 EH Annotated Mild in-vitro biogenic CCCCCCCCCCCC/C(=C/C(=O)O)[C@H]1CCNC(N)=N1 ZINC000085510489 EH Annotated Mild in-vitro biogenic COCCCc1ccc(C[C@@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1 ZINC000085510786 EH Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2([C@H]3CCC[C@@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@H](N)C2 ZINC000085543281 EH Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H](C/C(C)=C/C=C/C(C)=C/CO)[C@H]1OC1(C)C ZINC000085544151 EH Annotated Anodyne C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@H]1CCC[C@H](NC)C1 ZINC000085544924 EH Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@H]1CCC[C@H](CO)C1 ZINC000085544935 EH Annotated Mild in-vitro biogenic COC[C@@]1(O)[C@@]2(CCC[C@@H]2O)[C@@H]2CC[C@@]1(C)[C@@]2(C)C1CCCCC1 ZINC000085545605 EH Annotated Anodyne in-vitro biogenic C=C1[C@H]2C[C@@H]3CCC[C@]1(C)[C@@]3(C(=O)CCc1ccccc1)[C@]2(O)OC ZINC000085546448 EH Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(C[C@@H](CO)CC34CCCC4)[C@@H]1[C@@H](O)C2 ZINC000085547510 EH Annotated Anodyne in-vitro biogenic CN[C@H]1CC#CC[C@@]2(C)[C@@]34CCC(C)=C3C[C@@]2(CC[C@H]4C)CN2C[C@H]12 ZINC000085548271 EH Annotated Mild in-vitro biogenic C[C@@H]1CC[C@@H]2CC3=C(CCC[C@H]4CCNC(N)=N4)C(=O)C[C@@]31C2(C)C ZINC000085549636 EH Annotated Mild in-vitro biogenic Oc1cc2c(cc1O)CCC(c1cc(O)c(O)c3c(O)cccc13)=C2 ZINC000085569228 EH Annotated Clean in-vitro biogenic CC[C@@H](C)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C ZINC000085596855 EH Annotated Mild CC[C@H](C)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C ZINC000085596857 EH Annotated Mild CCC/C(=C/C(=O)CCc1ccc(O)c(OC2CCCC2)c1)CO ZINC000085625189 EH Annotated Mild in-vitro biogenic C/C1=C\CC[C@](C)(O)[C@H]2C[C@@H](CC[C@]3(C)O[C@H]3CC1)[C@@H](C)C(=O)O2 ZINC000085637862 EH Annotated Anodyne C[C@@H](CCC[C@@H](C)CO)[C@@H]1CC[C@@H](C)[C@]12CC=C(C(=O)O)[C@H](O)C2 ZINC000085640926 EH Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3 ZINC000085666889 EH Annotated Clean CC(C)CC(=O)O[C@H]1C[C@@]2(C)O[C@H]2C[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000085673312 EH Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23CO1 ZINC000085692679 EH Annotated Mild C[C@@H]1CC[C@@]2(CO)C(C(=O)O)=CC=C[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000085692947 EH Annotated Anodyne C[C@@H]1C(=O)[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C ZINC000085693053 EH Annotated Anodyne CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 ZINC000085694488 EH Annotated Anodyne CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@]12CC[C@@](C)(CC(=O)O)O2 ZINC000085694540 EH Annotated Anodyne CC1=C(CCc2ccoc2)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32 ZINC000085695655 EH Annotated Mild C=C1CC[C@H]2[C@H](O)O[C@H](c3ccoc3)C[C@]2(C)C/C=C\C=C/1C(=O)O ZINC000085696282 EH Annotated Mild C=CCC/C=C/C#CC#CCCCCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O ZINC000085845493 EH Annotated Mild C=C(C)C(=O)CCc1c(C)ccc2c1C(=O)C(O)=C(C(C)C)C2=O ZINC000085845512 EH Annotated Mild CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3C(C)(C)C[C@@H](O)C[C@]23C)C1=O ZINC000085873715 EH Annotated Mild CC(C)C1=CC2=C[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@@H]34)C2=C(O)C1=O ZINC000085887726 EH Annotated Mild in-man endogenous CC(=O)CC[C@H](/C=C/[C@](C)(O)C/C=C/[C@]1(C)CCC(=O)O1)C(C)C ZINC000085908353 EH Annotated Anodyne CC(=O)CC[C@H](/C=C/[C@@](C)(O)C/C=C/[C@]1(C)CCC(=O)O1)C(C)C ZINC000085908360 EH Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3C[C@@H](O)[C@H]21 ZINC000085916045 EH Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)C(C=O)=C1C(C)(C)CCC[C@@]21C ZINC000085916283 EH Annotated Reactive in-vitro biogenic C=C[C@]12C[C@]3(C)C(=O)C=C(C(C)C)[C@@]3(CC=C(C)[C@H]1CC(=O)OC)O2 ZINC000085917052 EH Annotated Mild C[C@@H]1c2cncc(C(=O)O)c2C[C@H]2c3[nH]c4ccccc4c3CC[N+]21C ZINC000085945495 EH Annotated Bother C[C@@H](CO)C1=C(O)C(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1=O ZINC000085967540 EH Annotated Mild C[C@H](CO)CCC[C@@H](C)C1=CC[C@@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3 ZINC000085976406 EH Annotated Mild CC[C@]12CCCN(CCc3c([nH]c4ccccc34)[C@H](C(=O)OC)C1)C2 ZINC000085982299 EH Annotated Anodyne CO[C@H]1C[C@H]2C[C@H]3c4c(c5ccccc5n4C=C2[C@@H](C)O1)CCN3C ZINC000085991255 EH Annotated Anodyne Cc1c(O)c(O)c2c3c(ccc2c1C)C(=O)C(C(C)C)=C(O)C3=O ZINC000085991311 EH Annotated Mild C=CCC1=C(O)C2=C[C@H]3OC[C@@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@H]34 ZINC000085995678 EH Annotated Mild C[C@@H]1COC2=C1C(=O)C(O)=C1C2=CC(=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000085995687 EH Annotated Mild C[C@H]1COC2=C1C(=O)C(O)=C1C2=CC(=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000085995688 EH Annotated Mild C[C@@H]1COC2=C1C(=O)C(O)=C1C2=CC(=O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000085995689 EH Annotated Mild Oc1cccc(Cc2ncc[nH]2)c1Oc1cccc(Cc2ncc[nH]2)c1 ZINC000085996402 EH Annotated Anodyne in-man metabolite Oc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1 ZINC000085996403 EH Annotated Anodyne in-man metabolite Oc1ccc(Cc2ncc[nH]2)cc1Oc1cccc(Cc2ncc[nH]2)c1 ZINC000085996405 EH Annotated Anodyne in-man CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O ZINC000086004539 EH Annotated Clean C[C@@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O ZINC000086004591 EH Annotated Clean C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O ZINC000086004593 EH Annotated Clean Cn1c(=O)c2c(c3ccccc31)O[C@@](C)(C/C=C/C(C)(C)OO)C=C2 ZINC000086007088 EH Annotated Reactive in-man endogenous Cn1c(=O)c2c(c3ccccc31)O[C@](C)(C/C=C/C(C)(C)OO)C=C2 ZINC000086007091 EH Annotated Reactive in-man endogenous C=CC1=CNC=C(C(=O)OC)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000086020439 EH Annotated Anodyne CC1=CN([C@H]2OC(=O)[C@H]3[C@@H](CC[C@H]3C)[C@H]2C)C(=O)[C@H]2[C@@H](C)CC[C@@H]12 ZINC000086020734 EH Annotated Anodyne in-man CC1=CN([C@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@H]3[C@H]2C)C(=O)[C@H]2[C@@H](C)CC[C@@H]12 ZINC000086020738 EH Annotated Anodyne in-man CC1=CN([C@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@H]2[C@@H](C)CC[C@@H]12 ZINC000086020742 EH Annotated Anodyne in-man CC1=CN([C@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@H]2[C@@H](C)CC[C@@H]12 ZINC000086020753 EH Annotated Anodyne in-man C/C(=C\CC1=CC(=O)C=CC1=O)CCc1c(C)cc(O)c(C=O)c1C ZINC000086035802 EH Annotated Mild C[C@H]1[C@H](O)c2ccc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 ZINC000086042472 EH Annotated Anodyne CCC(=O)C1=CN(CC(C)C)[C@H](/C(C)=C/[C@H](C)CC)[C@@](C)(O)C1=O ZINC000086043137 EH Annotated Mild CCC(=O)C1=CN(CCC(C)C)[C@@H](/C(C)=C/[C@H](C)CC)[C@@](C)(O)C1=O ZINC000086043154 EH Annotated Mild CC1(C)C=Cc2cc(/C=C/C(=O)c3ccc(O)cc3O)cc(O)c2O1 ZINC000087529255 EH Annotated Mild in-vitro CCN(C)C(=O)C1=NC=C(C2=C(c3ccc(F)c(Cl)c3)CN=N2)C1 ZINC000087612959 EH Annotated Anodyne O=C(Cn1nc(-c2cccc(F)c2)c2ccccc21)N1CCCCC1 ZINC000087613152 EH Annotated Anodyne CCOc1ccc([N+](=O)[O-])c(/C=C/[N+](=O)[O-])c1OCc1ccccc1 ZINC000089157188 EH Annotated Bother CCN(CC)CCc1c(I)[nH]c2ccccc12 ZINC000089203731 EH Annotated Anodyne OC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc[nH]4)N=N[C@H]23)CC1 ZINC000089469173 EH Annotated Anodyne OC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc[nH]4)N=N[C@@H]23)CC1 ZINC000089469175 EH Annotated Anodyne O=C(Nc1c(C(=O)N2CCCCCC2)oc2ccccc12)C1CC1 ZINC000009265620 EH Annotated Anodyne CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1NC1CCCC1 ZINC000009286702 EH Annotated Anodyne C=CCSC(=O)n1c(N)c(-c2ccccc2C)c(=O)n1C(C)C ZINC000091301310 EH Annotated Mild in-vitro Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C(O)=C2O ZINC000009574904 EH Annotated Mild Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O ZINC000009692002 EH Annotated Anodyne COc1ccc([C@@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 ZINC000009692055 EH Annotated Anodyne COc1ccc([C@@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 ZINC000009692056 EH Annotated Anodyne COc1c2c(c(OC)c(OC)c1OC)C(=O)C=C(c1ccccc1)C2 ZINC000095099587 EH Annotated Mild in-vitro biogenic CCN(C(=O)C1CCC1)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 ZINC000095396134 EH Annotated Anodyne CCN(C(=O)C1CCC1)[C@@H](c1cccnc1)c1ccc2c(c1)CCO2 ZINC000095396135 EH Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3cc(OC)ccc3oc12 ZINC000095485917 EH Annotated Mild in-vitro biogenic C=CC(C)(C)c1c(O)cc2oc3ccc(OC)cc3c(=O)c2c1O ZINC000095485918 EH Annotated Mild in-vitro biogenic C[C@@H]1CC[C@@]23OC(=O)[C@@]2(C)CCC[C@]3(C)[C@@]1(O)CCc1ccoc1 ZINC000095486133 EH Annotated Anodyne in-vitro biogenic COC(=O)/C(=C\C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]12CO2)[C@H]1CO1 ZINC000095486144 EH Annotated Anodyne in-vitro biogenic COC(=O)/C(=C\C[C@@H]1[C@@]2(CC[C@@H]3C(C)(C)CCC[C@]13C)CO2)[C@@H]1CO1 ZINC000095486371 EH Annotated Anodyne in-vitro biogenic c1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)on2)cc1 ZINC000095502839 EH Annotated Anodyne C=CCc1cc(/C=N/CCN)c(O)c(-c2ccc(O)c(CC=C)c2)c1 ZINC000095536687 EH Annotated Mild Cc1cnccc1CN(C)Cc1nc(Cc2ccccc2Cl)no1 ZINC000095544227 EH Annotated Anodyne Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccccc1 ZINC000095552071 EH Annotated Mild CC[C@@H]1COc2cccc3c(=O)c(C(=O)N(C(C)C)C(C)C)cn1c23 ZINC000095552223 EH Annotated Anodyne CC[C@H]1COc2cccc3c(=O)c(C(=O)N(C(C)C)C(C)C)cn1c23 ZINC000095552224 EH Annotated Anodyne Oc1cc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]n1 ZINC000095552771 EH Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)cc1 ZINC000095552959 EH Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 ZINC000095553010 EH Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)cc1 ZINC000095553743 EH Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c([nH]c4c(Cl)cccc34)[C@@H]21 ZINC000095553884 EH Annotated Clean CN1c2ccccc2C(=O)N2CCc3c([nH]c4c(Cl)cccc34)[C@H]21 ZINC000095553885 EH Annotated Clean Cc1csc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 ZINC000095554208 EH Annotated Anodyne COc1ccc(/C=C/c2cc(OC)c3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000095554619 EH Annotated Bother CCN1CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000095554653 EH Annotated Anodyne CCN1CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)C[C@H]1C ZINC000095554654 EH Annotated Anodyne CCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@@H]31 ZINC000095555166 EH Annotated Clean CCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@H]31 ZINC000095555167 EH Annotated Clean Cc1cc(-c2cc(=O)[nH]c(NCc3cccc4ccccc34)n2)ccn1 ZINC000095555348 EH Annotated Anodyne CCc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 ZINC000095555972 EH Annotated Anodyne Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2ccccn2)nn1 ZINC000095556328 EH Annotated Anodyne Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2ccccn2)nn1 ZINC000095556329 EH Annotated Anodyne CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(C)s1 ZINC000095556554 EH Annotated Clean Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2ccncc2)nn1 ZINC000095556902 EH Annotated Anodyne Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2ccncc2)nn1 ZINC000095556903 EH Annotated Anodyne Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2cccnc2)nn1 ZINC000095557429 EH Annotated Anodyne Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2cccnc2)nn1 ZINC000095557430 EH Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)s1 ZINC000095557637 EH Annotated Anodyne C#C[C@@]12O[C@]1(C=O)[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC2=O ZINC000095557873 EH Annotated Mild C=C(C)/C=C/[C@@]12C(=O)C=CC(=O)[C@@]13CC(C)=C[C@@H]2c1cc(O)ccc1O3 ZINC000095558618 EH Annotated Mild CCN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 ZINC000095558779 EH Annotated Anodyne O=C(/N=c1\[nH]cc(-c2ccccc2)[nH]1)c1c[nH]cc1-c1ccccc1 ZINC000095558839 EH Annotated Anodyne CCCCCCCCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O ZINC000095559134 EH Annotated Mild C=CCN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 ZINC000095560396 EH Annotated Mild O=c1oc(=O)n(Cc2ccccc2-c2ccccc2)c2ccccc12 ZINC000095562451 EH Annotated Anodyne Cc1nn(C(=O)c2ccccc2)c2c1nnc1cc(Cl)c(F)cc12 ZINC000095563772 EH Annotated Anodyne C[C@@](NCc1ccccc1)(c1cn(C2(C#N)CC2)nn1)C1CCCCC1 ZINC000095563975 EH Annotated Mild Cc1nc(N2C(=O)CS[C@H]2c2ccccc2Cl)nc(C)c1C ZINC000095564450 EH Annotated Anodyne Cc1nc(N2C(=O)CS[C@@H]2c2ccccc2Cl)nc(C)c1C ZINC000095564451 EH Annotated Anodyne Cc1cccc(C)c1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000095565723 EH Annotated Anodyne Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl ZINC000095565890 EH Annotated Anodyne CC1(C)Cc2cccc(OC(=O)NCCc3ccc(F)cc3)c2O1 ZINC000095566353 EH Annotated Anodyne COC(=O)c1c(-c2ccc(N(C)C)cc2)oc2c1[C@@H](OC)CCC2 ZINC000095566680 EH Annotated Anodyne COC(=O)c1c(-c2ccc(N(C)C)cc2)oc2c1[C@H](OC)CCC2 ZINC000095566681 EH Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCCCC1 ZINC000095567315 EH Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCCCC1 ZINC000095567316 EH Annotated Anodyne CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(F)cc2)O1 ZINC000095567436 EH Annotated Anodyne CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(F)cc2)O1 ZINC000095567437 EH Annotated Anodyne CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(F)cc2)O1 ZINC000095567438 EH Annotated Anodyne CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(F)cc2)O1 ZINC000095567439 EH Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@H](c4ccc(Br)cc4)[C@H]2CCN1CCC3 ZINC000095568074 EH Annotated Anodyne Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(C3CC3)nc2n1 ZINC000095568215 EH Annotated Anodyne c1cc(-c2cc3c(o2)CCC[C@@H]3OCCN2CCOCC2)cs1 ZINC000095568271 EH Annotated Anodyne c1cc(-c2cc3c(o2)CCC[C@H]3OCCN2CCOCC2)cs1 ZINC000095568272 EH Annotated Anodyne Cc1ccnc(NC(=S)N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000095568302 EH Annotated Anodyne Oc1n[nH]c2c1[C@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 ZINC000095568557 EH Annotated Anodyne CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(C(C)C)C(=O)c1ccccc12 ZINC000095568579 EH Annotated Anodyne Oc1n[nH]c2c1[C@H](c1ccc(F)cc1)O[C@@H](CCc1ccccc1)C2 ZINC000095568645 EH Annotated Anodyne Oc1n[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 ZINC000095568646 EH Annotated Anodyne Oc1n[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@@H](CCc1ccccc1)C2 ZINC000095568647 EH Annotated Anodyne C1=C[C@H](CCOCc2ccccc2)[C@H]2CCN3CCC[C@H]1[C@H]2[C@]31CO1 ZINC000095568693 EH Annotated Anodyne c1ccc(CN2CC[C@H]3C[C@@H]2c2c3cccc2N2CCOCC2)cc1 ZINC000095568800 EH Annotated Anodyne Oc1n[nH]c2c1[C@H](c1ccc(F)cc1)O[C@H](CCC(F)(F)F)C2 ZINC000095569093 EH Annotated Anodyne CC(C)[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 ZINC000095569215 EH Annotated Anodyne CC(C)[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 ZINC000095569216 EH Annotated Anodyne CC(C)[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 ZINC000095569217 EH Annotated Anodyne CC(C)[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 ZINC000095569218 EH Annotated Anodyne CC(C)[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](CCc2ccccc2)O1 ZINC000095569737 EH Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cc2ccccc2o1)N1CCCCC1 ZINC000095570986 EH Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cc2ccccc2o1)N1CCCCC1 ZINC000095570987 EH Annotated Anodyne COc1cc(Nc2cccn3cc(C)nc23)ccc1-n1cnc(C)c1 ZINC000095571588 EH Annotated Anodyne O=c1sc2cc(CCCF)ccc2n1CCN1CCCCCC1 ZINC000095571671 EH Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)N2CCOCC2)no1 ZINC000095571993 EH Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)N2CCOCC2)no1 ZINC000095571994 EH Annotated Anodyne COc1cc(Nc2cccc3cn(C)nc23)ccc1-n1cnc(C)c1 ZINC000095572884 EH Annotated Anodyne Cc1ccc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12 ZINC000095572887 EH Annotated Anodyne Cn1c(CCc2ccc3ncccc3n2)nc2c3cccnc3ccc21 ZINC000095572896 EH Annotated Anodyne O=[N+]([O-])c1cc(Nc2ncnc3c2sc2ncccc23)ccc1O ZINC000095573009 EH Annotated Bother Nc1ccc(-c2cn(C[C@H](O)c3ccc(Cl)cc3Cl)nn2)cc1 ZINC000095573123 EH Annotated Anodyne Nc1ccc(-c2cn(C[C@@H](O)c3ccc(Cl)cc3Cl)nn2)cc1 ZINC000095573124 EH Annotated Anodyne Cc1cccc(NC(=O)c2nc(C)cc3cc(-c4cccnc4)[nH]c23)n1 ZINC000095573689 EH Annotated Anodyne O=[N+]([O-])c1cc(Nc2ncnc3c2sc2cccnc23)ccc1O ZINC000095574191 EH Annotated Bother COc1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23 ZINC000095574762 EH Annotated Bother N=C1Sc2cc(-c3cccc([N+](=O)[O-])c3)ccc2C2=NCCCN12 ZINC000095575577 EH Annotated Bother Cc1cc(O)n2nc(SCc3ccc(Cl)c(Cl)c3)nc2n1 ZINC000095576471 EH Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)C)C[C@@H]1O ZINC000095576579 EH Annotated Anodyne CCCSc1ncccc1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000095576667 EH Annotated Anodyne CCCSc1ncccc1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000095576668 EH Annotated Anodyne O=C(CCc1nnc(/C=C/c2ccccc2)o1)c1nc2ccccc2[nH]1 ZINC000095576719 EH Annotated Anodyne Cc1cc(N)n2nc(SCc3ccc(Cl)c(Cl)c3)nc2n1 ZINC000095576898 EH Annotated Anodyne Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2c1 ZINC000095577100 EH Annotated Anodyne CCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 ZINC000095577119 EH Annotated Anodyne C[C@H](O)c1cccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)c1 ZINC000095577286 EH Annotated Anodyne C[C@@H](O)c1cccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)c1 ZINC000095577287 EH Annotated Anodyne O=C(Nc1cccc(F)n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O ZINC000095578026 EH Annotated Anodyne O=C(Nc1cccc(F)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O ZINC000095578027 EH Annotated Anodyne Cc1cc(O)n2nc(SCc3cc(Cl)ccc3Cl)nc2n1 ZINC000095578227 EH Annotated Anodyne Cc1c(C(=O)N(Cc2ccco2)C2CCNCC2)oc2ccccc12 ZINC000095578433 EH Annotated Anodyne N=C1Sc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2C2=NCCCN12 ZINC000095578466 EH Annotated Bother C/C(COc1ccccc1)=N\N=c1\[nH]c(Cc2ccco2)cs1 ZINC000095578696 EH Annotated Mild CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1c[nH]c2cc(F)ccc2c1=O ZINC000095578941 EH Annotated Anodyne Nc1cccc(-c2cn(C[C@H](O)c3ccc(Cl)cc3Cl)nn2)c1 ZINC000095580164 EH Annotated Anodyne Nc1cccc(-c2cn(C[C@@H](O)c3ccc(Cl)cc3Cl)nn2)c1 ZINC000095580165 EH Annotated Anodyne COc1ccc([C@H]2C[C@H]2c2ccc(OC)c(OC)c2OC)cc1N ZINC000095580773 EH Annotated Anodyne Nc1nc2cc3c(cc2s1)CCN(Cc1ccc(F)cc1)CC3 ZINC000095580866 EH Annotated Anodyne CC(C)CCN1Cc2cc(/C=C/CO)ccc2N[C@@H](CC(C)C)C1=O ZINC000095581677 EH Annotated Anodyne Cc1ncc(C)n2nc(-c3ccn4cc(-c5ccccc5)nc4c3)nc12 ZINC000095582086 EH Annotated Anodyne Nc1nc2cc3c(cc2s1)CCN(Cc1cccc(F)c1)CC3 ZINC000095582489 EH Annotated Anodyne CCCn1c(-c2ccc(C)s2)nc2ccc(N3CCOCC3)nc21 ZINC000095583362 EH Annotated Anodyne COc1ccc([C@@H]2C[C@@H]2c2ccc(OC)c(OC)c2OC)cc1N ZINC000095583366 EH Annotated Anodyne CCCCc1nnn(-c2cccc(C)n2)c1-c1ccc2nccnc2c1 ZINC000095583953 EH Annotated Anodyne COC(=O)C1=CN(Cc2ccccc2OC)C=C[C@@H]1c1ccccc1 ZINC000095584114 EH Annotated Anodyne COC(=O)C1=CN(Cc2ccccc2OC)C=C[C@H]1c1ccccc1 ZINC000095584115 EH Annotated Anodyne COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C[C@@H]1c1ccccc1 ZINC000095585232 EH Annotated Anodyne COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C[C@H]1c1ccccc1 ZINC000095585233 EH Annotated Anodyne CC(C)CCN1Cc2cc(CCCO)ccc2N[C@@H](CC(C)C)C1=O ZINC000095585504 EH Annotated Anodyne COC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1ccc(OC)cc1 ZINC000095585542 EH Annotated Anodyne COC(=O)C1=CN(Cc2ccccc2)C=C[C@@H]1c1ccc(OC)cc1 ZINC000095585543 EH Annotated Anodyne CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1C(C)=O ZINC000095587570 EH Annotated Anodyne COc1cc(OC)cc(C2=CCCOc3c2ccc(OC)c3O)c1 ZINC000095587923 EH Annotated Anodyne COc1ccc([C@@H]2[C@H](C#N)c3ccccc3C(=N)C2(C#N)C#N)cc1 ZINC000095588218 EH Annotated Anodyne COc1ccc([C@H]2[C@H](C#N)c3ccccc3C(=N)C2(C#N)C#N)cc1 ZINC000095588219 EH Annotated Anodyne O=C1O[C@]2(Oc3ccc(-c4ccccc4)cc3C2=O)c2ccccc21 ZINC000095588591 EH Annotated Anodyne O=C1O[C@@]2(Oc3ccc(-c4ccccc4)cc3C2=O)c2ccccc21 ZINC000095588592 EH Annotated Anodyne COc1oc(=O)c2cc(NC(=O)OC(C)(C)C)ccc2c1Cl ZINC000095588785 EH Annotated Anodyne CO[C@H](/C=C/c1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1 ZINC000095588855 EH Annotated Anodyne COc1cc(C#C/C=C\C#Cc2ccccc2C#N)cc(OC)c1OC ZINC000095588975 EH Annotated Mild Clc1ccc(CNC[C@@H]2C[C@@]3(c4ccccc4)CCN2C3)cc1 ZINC000095589176 EH Annotated Anodyne Clc1ccc(CNC[C@H]2C[C@@]3(c4ccccc4)CCN2C3)cc1 ZINC000095589315 EH Annotated Anodyne CN(Cc1ccc2oc3ccc(Cl)cc3c(=O)c2c1)C(C)(C)CO ZINC000095589622 EH Annotated Bother COc1ccc(Cn2ccc3cc(OC)c(OC)c(OC)c32)cc1 ZINC000095589806 EH Annotated Anodyne O=C1O[C@@]2(Oc3cc(-c4ccccc4)ccc3C2=O)c2ccccc21 ZINC000095590105 EH Annotated Anodyne O=C1O[C@]2(Oc3cc(-c4ccccc4)ccc3C2=O)c2ccccc21 ZINC000095590106 EH Annotated Anodyne Cc1sc2nc3ncc(-c4ccc(Cl)cc4)nn3c(=O)c2c1C ZINC000095590139 EH Annotated Anodyne CCN(C)CCCn1c(=O)c(C#N)c(-c2ccccc2)c2ccccc21 ZINC000095590179 EH Annotated Mild O=C1O[C@@]2(Oc3c(cccc3-c3ccccc3)C2=O)c2ccccc21 ZINC000095590464 EH Annotated Anodyne O=C1O[C@]2(Oc3c(cccc3-c3ccccc3)C2=O)c2ccccc21 ZINC000095590465 EH Annotated Anodyne CCCC[C@@H](CC)C[C@](O)(/C=C(/CC)[C@@H](O)CC(=O)OC)CC ZINC000095590641 EH Annotated Anodyne CCCC[C@H](CC)C[C@](O)(/C=C(/CC)[C@@H](O)CC(=O)OC)CC ZINC000095590642 EH Annotated Anodyne CCCC[C@@H](CC)C[C@@](O)(/C=C(/CC)[C@@H](O)CC(=O)OC)CC ZINC000095590643 EH Annotated Anodyne CCCC[C@H](CC)C[C@@](O)(/C=C(/CC)[C@@H](O)CC(=O)OC)CC ZINC000095590644 EH Annotated Anodyne COc1ccccc1C#C/C=C\C#Cc1cc(OC)c(OC)c(OC)c1 ZINC000095590950 EH Annotated Mild CC(C)(C)C(=O)Oc1cccc2nc(C#Cc3cccnc3)ccc12 ZINC000095590970 EH Annotated Mild COc1cc2c(C(=O)c3ccc(C)cc3)c[nH]c2c(OC)c1OC ZINC000095591087 EH Annotated Anodyne COc1ccc2c(c1)OCCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000095591185 EH Annotated Anodyne CN1CCC[C@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1 ZINC000095591762 EH Annotated Mild CN1CCC[C@@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1 ZINC000095591763 EH Annotated Mild CC(C)n1nc(Cn2nc3ccccc3c2CCCO)c2ccccc21 ZINC000095591784 EH Annotated Anodyne C(=N/O[C@@H]1CN2CCC1CC2)\c1ccccc1OCc1ccccc1 ZINC000095591803 EH Annotated Mild C(=N/O[C@H]1CN2CCC1CC2)\c1ccccc1OCc1ccccc1 ZINC000095591804 EH Annotated Mild O=C1c2cc(O)cc(O)c2[C@@H](c2ccccc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000095592253 EH Annotated Anodyne CO[C@@H](/C=C/c1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1 ZINC000095592375 EH Annotated Anodyne COc1ccc(Cc2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1F ZINC000095592979 EH Annotated Anodyne CCNC(=S)N/N=C(\c1ccc(C(C)(C)C)cc1)c1ccccn1 ZINC000095593735 EH Annotated Mild OCc1c(CO)c(-c2ccccc2)n2c1CS[C@@H]2c1ccccc1 ZINC000095593876 EH Annotated Anodyne Cn1cc(-c2ccc(CN3C(=O)CCc4ccccc43)c(F)c2)cn1 ZINC000095593984 EH Annotated Anodyne CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21 ZINC000095594094 EH Annotated Anodyne COC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1 ZINC000095594404 EH Annotated Anodyne CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1 ZINC000095595693 EH Annotated Reactive N#Cc1sc2nc(N)c(C#N)c(-c3ccccc3Cl)c2c1N ZINC000095595974 EH Annotated Mild COc1nc2ccccc2n1Cc1ccc(-c2cnn(C)c2)cc1F ZINC000095596328 EH Annotated Anodyne S=c1oc(-c2ccc3ccccc3n2)nn1CNc1ccccn1 ZINC000095596529 EH Annotated Anodyne CCCN(c1cncnc1)P(=O)(c1ccccc1)c1ccccc1 ZINC000095596845 EH Annotated Reactive O=C1C(O)=C(CSc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095596851 EH Annotated Mild CC(C)NC(=O)c1cc(Sc2ccc(C(C)C)cc2)c[nH]c1=O ZINC000095597008 EH Annotated Anodyne CN(C)C(=S)N/N=C(\c1ccc(C(C)(C)C)cc1)c1ccccn1 ZINC000095597928 EH Annotated Mild N#CCCN(Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)C1CC1 ZINC000095599006 EH Annotated Mild N#CCCN(Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)C1CC1 ZINC000095599007 EH Annotated Mild FC(F)(F)c1ccc(-c2ccc3c(c2)CNCc2cnnn2-3)cc1 ZINC000095599327 EH Annotated Anodyne CC(C)(C)C(=O)N1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1 ZINC000095599348 EH Annotated Anodyne CC(C)=CCN(C(=O)C#Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000095599360 EH Annotated Mild CC(C)CCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000095599919 EH Annotated Anodyne CC(C)[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](CCc2ccccc2)O1 ZINC000095600223 EH Annotated Anodyne O=C1O[C@@H](c2ccccc2)C[C@@H](O)C(=O)CCCCc2ccccc21 ZINC000095600584 EH Annotated Anodyne CN1OC[C@@H]2CN3C(=O)N(c4ccccc4)c4ccccc4[C@@H]3C[C@@H]21 ZINC000095601999 EH Annotated Anodyne C=C1C[C@@H]2C[C@@H]2CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccco1 ZINC000095602000 EH Annotated Mild C[C@H]1O[C@@H](CCc2cccc(Cl)c2)Cc2[nH]c(=S)[nH]c(=O)c21 ZINC000095602312 EH Annotated Anodyne C[C@@H]1O[C@@H](CCc2cccc(Cl)c2)Cc2[nH]c(=S)[nH]c(=O)c21 ZINC000095602313 EH Annotated Anodyne C[C@H]1O[C@H](CCc2cccc(Cl)c2)Cc2[nH]c(=S)[nH]c(=O)c21 ZINC000095602314 EH Annotated Anodyne C[C@@H]1O[C@H](CCc2cccc(Cl)c2)Cc2[nH]c(=S)[nH]c(=O)c21 ZINC000095602315 EH Annotated Anodyne CC(C)[C@@H]1O[C@H](CCc2ccccc2)CC2=C1C(=O)OC(C)(C)O2 ZINC000095603400 EH Annotated Anodyne Cc1cnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)s1 ZINC000095604214 EH Annotated Anodyne CCc1c(C)oc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc12 ZINC000095607747 EH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@@H](C(C)C)CC(=O)[C@]12C ZINC000095618492 EH Annotated Anodyne in-man metabolite CC(C)[C@@H]1C/C=C\C[C@@H](c2ccc(F)cc2)NC(=O)[C@H](C)CC(=O)N1 ZINC000095661158 EH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](C#N)N(c3ncc(CC)s3)[C@@H]2CO)cc1 ZINC000095664353 EH Annotated Mild C/C=C/c1ccccc1[C@H]1[C@@H](CO)N(C(=O)Nc2ccccc2)[C@H]1C#N ZINC000095668570 EH Annotated Mild FC(F)(F)c1cc(OC2CC2)ccc1I ZINC000095733783 EH Annotated Anodyne FC(F)(F)c1c(I)cccc1OC1CC1 ZINC000095733822 EH Annotated Anodyne FC(F)(F)c1ccc(I)c(OC2CC2)c1 ZINC000095733879 EH Annotated Anodyne FC(F)(F)c1ccc(OC2CC2)c(I)c1 ZINC000095733892 EH Annotated Anodyne FC(F)(F)c1ccc(OC2CC2)cc1I ZINC000095733913 EH Annotated Anodyne FC(F)(F)c1cccc(I)c1OC1CC1 ZINC000095733929 EH Annotated Anodyne FC(F)(F)c1ccc(I)cc1OC1CC1 ZINC000095734485 EH Annotated Anodyne FC(F)(F)c1cc(I)cc(OC2CC2)c1 ZINC000095734562 EH Annotated Anodyne FC(F)(F)c1cc(I)ccc1OC1CC1 ZINC000095734573 EH Annotated Anodyne CCOC(=O)c1nc(-c2ccc(CBr)cc2)cs1 ZINC000095751588 EH Annotated Reactive CCOC(=O)c1nc(-c2cc(F)cc(Br)c2)cs1 ZINC000095751595 EH Annotated Anodyne CCOC(=O)c1csc(-c2ccc(CBr)cc2)n1 ZINC000095751653 EH Annotated Reactive CCOC(=O)c1cnc(-c2ccc(CBr)cc2)s1 ZINC000095751694 EH Annotated Reactive CCOC(=O)c1cnc(-c2cc(F)cc(Br)c2)s1 ZINC000095751710 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000095752197 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000095752198 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000095752214 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000095752216 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000095752508 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000095752509 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000095752588 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccc(Cl)cc1Cl ZINC000095752590 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](Cc2cc(Cl)ccc2Cl)C1 ZINC000095752592 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](Cc2cc(Cl)ccc2Cl)C1 ZINC000095752594 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1cc(Cl)ccc1Cl ZINC000095752596 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1cc(Cl)ccc1Cl ZINC000095752597 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](Cc2c(Cl)cccc2Cl)C1 ZINC000095752599 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](Cc2c(Cl)cccc2Cl)C1 ZINC000095752602 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1c(Cl)cccc1Cl ZINC000095752605 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1c(Cl)cccc1Cl ZINC000095752606 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1cccc2ccccc12 ZINC000095752729 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccc3ccccc3c2)C1 ZINC000095752731 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccc3ccccc3c2)C1 ZINC000095752733 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccc2ccccc2c1 ZINC000095752734 EH Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccc2ccccc2c1 ZINC000095752737 EH Annotated Anodyne COc1ccccc1NC1=NC(=O)/C(=C/c2nc(C)cs2)S1 ZINC000095755402 EH Annotated Clean CCc1nnc(Cn2nc(-c3cccc(OC)c3)c3ccccc32)o1 ZINC000095755520 EH Annotated Anodyne O=C(c1ccc(COc2ccccc2)o1)n1ccc(-c2ccc[nH]2)n1 ZINC000095755550 EH Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)n1ccc(-c2ccc[nH]2)n1 ZINC000095755555 EH Annotated Anodyne O=C(CSc1cc(Cl)ccc1Cl)N/N=C/c1ccc[nH]1 ZINC000095755636 EH Annotated Reactive CC(C)(C)OC(=O)n1nc(CBr)c2cccc(F)c21 ZINC000095757068 EH Annotated Reactive COc1cccc2c(CBr)nn(C(=O)OC(C)(C)C)c12 ZINC000095757074 EH Annotated Reactive CC(=O)c1cc(Br)cc(CNC(=O)OC(C)(C)C)c1 ZINC000095764609 EH Annotated Anodyne CC(=O)c1cc(Br)cc(CCNC(=O)OC(C)(C)C)c1 ZINC000095764799 EH Annotated Anodyne CC(=O)c1cc(CCNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC000095764886 EH Annotated Anodyne COC(=O)Cn1nc(-c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000095771563 EH Annotated Anodyne O[C@H](CSc1nc2ccccc2s1)C[C@@H](O)c1ccccc1 ZINC000095785016 EH Annotated Anodyne O[C@H](CSc1nc2ccccc2s1)C[C@H](O)c1ccccc1 ZINC000095785019 EH Annotated Anodyne O[C@@H](CSc1nc2ccccc2s1)C[C@@H](O)c1ccccc1 ZINC000095785022 EH Annotated Anodyne O[C@@H](C[C@@H](O)CSc1nc2ccccc2s1)c1ccccc1 ZINC000095785025 EH Annotated Anodyne C=C1CC[C@@H](C)[C@](C)(CCC2=CC(=O)O[C@@H]2O)C/C=C\C=C\1C(=O)O ZINC000095786170 EH Annotated Mild C=C1CC[C@H](C)[C@](C)(CCC2=CC(=O)O[C@@H]2O)C/C=C\C=C\1C(=O)O ZINC000095786172 EH Annotated Mild C/C=C/c1ccccc1[C@@H]1[C@H](C#N)N(c2ncc(CC)s2)[C@H]1CO ZINC000095795553 EH Annotated Mild C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCCC1)[C@@H](CO)N2 ZINC000095797144 EH Annotated Anodyne C/C=C/c1ccccc1[C@@H]1[C@@H](C#N)N(c2nc(CC)cs2)[C@@H]1CO ZINC000095797302 EH Annotated Mild C/C=C/c1ccccc1[C@@H]1[C@@H](C#N)N(c2nc(CC)cs2)[C@H]1CO ZINC000095798529 EH Annotated Mild CC(C)=CCC[C@H](C)C/C=N/NC(=O)CCCCCCC(=O)NO ZINC000095808245 EH Annotated Reactive C=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCCCC(=O)OC)CC1 ZINC000095808675 EH Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/C1=CC[C@H]2C[C@@H]1C2(C)C ZINC000095808676 EH Annotated Reactive C=CCC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O ZINC000095808878 EH Annotated Reactive C#CC(C)(C)NC1CN(C2c3ccccc3CCc3ccccc32)C1 ZINC000095856763 EH Annotated Mild CNC1CN([C@@H]2c3ccccc3CSc3ccc(Cl)cc32)C1 ZINC000095856772 EH Annotated Anodyne CNC1CN([C@H]2c3ccccc3CSc3ccc(Cl)cc32)C1 ZINC000095856774 EH Annotated Anodyne C/C=C/c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)C1CCCC1)[C@H](CO)N2 ZINC000095864522 EH Annotated Anodyne C/C=C/c1ccccc1[C@H]1[C@H](C#N)N(c2nc(CC)cs2)[C@H]1CO ZINC000095869183 EH Annotated Mild C/C=C/c1ccccc1[C@@H]1[C@H](C#N)N(c2nc(CC)cs2)[C@H]1CO ZINC000095869184 EH Annotated Mild C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(c2nc(CC)cs2)[C@@H]1CO ZINC000095869341 EH Annotated Mild C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(c2nc(CC)cs2)[C@H]1CO ZINC000095869351 EH Annotated Mild C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(c2ncc(CC)s2)[C@@H]1CO ZINC000095869360 EH Annotated Mild C/C=C/c1ccccc1[C@H]1[C@@H](CO)N(c2nc(CC)cs2)[C@H]1C#N ZINC000095869486 EH Annotated Mild C/C=C/c1ccccc1[C@@H]1[C@@H](CO)N(c2ncc(CC)s2)[C@H]1C#N ZINC000095869492 EH Annotated Mild c1ccc(-n2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1 ZINC000095872091 EH Annotated Anodyne c1ccc(Cn2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1 ZINC000095872106 EH Annotated Anodyne Cc1[nH]nc2c1[C@@H](c1cccc(C#N)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000095872449 EH Annotated Mild Cc1[nH]nc2c1[C@H](c1cccc(C#N)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000095872450 EH Annotated Mild CCCC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(C)cc2)C1=S ZINC000095872940 EH Annotated Anodyne CCOC(=O)N1C(=S)N(c2ccc(C)cc2)C(=O)C12CCCCC2 ZINC000095872952 EH Annotated Anodyne CCOC(=O)N1C(=O)N(c2ccc(C)cc2)C2(CCCCC2)C1=O ZINC000095872966 EH Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCCC2)N(c2cccc(C)c2)C1=S ZINC000095872976 EH Annotated Anodyne COc1ccccc1[C@H]1C2=C(CCC(C)(C)C2=O)Nc2n[nH]c(C)c21 ZINC000095873071 EH Annotated Mild COc1ccccc1[C@@H]1C2=C(CCC(C)(C)C2=O)Nc2n[nH]c(C)c21 ZINC000095873072 EH Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N(c3ncc(CC)s3)[C@H]2C#N)cc1 ZINC000095897766 EH Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](C#N)N(c3ncc(CC)s3)[C@H]2CO)cc1 ZINC000095897767 EH Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(c3ncc(CC)s3)[C@H]2CO)cc1 ZINC000095897768 EH Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(c3ncc(CC)s3)[C@H]2CO)cc1 ZINC000095897769 EH Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(c3ncc(CC)s3)[C@@H]2CO)cc1 ZINC000095897770 EH Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(c3ncc(CC)s3)[C@H]2C#N)cc1 ZINC000095897771 EH Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](C#N)N(c3nc(CC)cs3)[C@H]2CO)cc1 ZINC000095898272 EH Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(c3nc(CC)cs3)[C@H]2CO)cc1 ZINC000095898273 EH Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(c3nc(CC)cs3)[C@H]2CO)cc1 ZINC000095898274 EH Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(c3nc(CC)cs3)[C@@H]2CO)cc1 ZINC000095898275 EH Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N(c3nc(CC)cs3)[C@H]2C#N)cc1 ZINC000095898276 EH Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(c3nc(CC)cs3)[C@@H]2CO)cc1 ZINC000095898277 EH Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(c3nc(CC)cs3)[C@H]2C#N)cc1 ZINC000095898278 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC(C)=CC(=O)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000095908353 EH Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@@H]1[C@]23C ZINC000095909474 EH Annotated Anodyne in-vitro biogenic COc1cc2c(c(O)c1CC=C(C)C)C(=O)[C@@H]1C=CC=C(O)[C@@H]1N2 ZINC000095909930 EH Annotated Anodyne in-vitro biogenic COc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C=CC(C)(C)O2 ZINC000095909988 EH Annotated Bother in-vitro biogenic C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O ZINC000095910291 EH Annotated Clean in-vitro biogenic C=C(OC)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]43 ZINC000095911245 EH Annotated Mild in-vitro biogenic COc1c(OC/C=C(\C)CC[C@H]2OC2(C)C)ccc2c1OC(=O)CC2 ZINC000095911284 EH Annotated Anodyne in-vitro biogenic COC1=C(C=O)C[C@H](O)[C@]2(C)CC(=O)[C@@]3(C)CCC(C(C)C)=C3[C@H]2C1 ZINC000095911665 EH Annotated Reactive in-vitro biogenic C=C[C@@H]1CCC2=C(C1)C(=O)C[C@H]1[C@]2(C)CC[C@H](O)[C@]1(C)CC(=O)OC ZINC000095912013 EH Annotated Mild in-vitro biogenic CC1=CC(=O)C[C@H]2[C@@]1(C)C[C@@H](O)[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)O ZINC000095912179 EH Annotated Mild in-vitro biogenic CC(C)[C@]1(O)C=C(CC[C@@H]2[C@]3(C)CCC[C@@]2(C)C(=O)O3)C(=O)CC1 ZINC000095912191 EH Annotated Mild in-vitro biogenic COc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)CC[C@@H](O)[C@]1(O)C2 ZINC000095912215 EH Annotated Anodyne in-vitro biogenic CC(C)=CC[N+]1(C)C[C@H]2CC[C@H]3[C@H]4C(=O)O[C@H]([C@H]4C(C)C)[C@@H]1[C@@]23C ZINC000095912458 EH Annotated Bother in-vitro biogenic COc1c(OC[C@H]2OC2(C)C)cc2nc3occc3cc2c1OC ZINC000095912496 EH Annotated Anodyne in-vitro biogenic COc1c([C@@H](CC=C(C)C)CC(C)=O)cc(O)c2c1C(=O)C=CC2=O ZINC000095913574 EH Annotated Mild in-vitro biogenic COc1cc2c(O)cc(O)cc2[o+]c1-c1cc(OC)c(O)c(OC)c1 ZINC000095913675 EH Annotated Anodyne in-vitro biogenic COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(O)C=C(C(C)C)C(=O)C[C@H]21 ZINC000095913684 EH Annotated Mild in-vitro biogenic C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCCC(=C23)[C@@]12C[C@@H](c1ccco1)OC2=O ZINC000095913832 EH Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2O)c1O ZINC000095918996 EH Annotated Mild in-vitro biogenic C[C@@H]1C[C@H]2CC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000095919021 EH Annotated Mild in-vitro biogenic CCOC(=O)/C=C\c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2 ZINC000095919070 EH Annotated Clean in-vitro biogenic Nc1nc(NC2CCCCC2)sc1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000095920697 EH Annotated Bother O=C1N=Nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc21 ZINC000095920846 EH Annotated Anodyne CCS(=O)(=O)Nc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1 ZINC000095921262 EH Annotated Anodyne in-vitro C[C@@H]1CN2[C@@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000096017960 EH Annotated Anodyne CN(Cc1ccccc1Br)c1cc2ccccc2c(=O)[nH]1 ZINC000096018444 EH Annotated Anodyne N#Cc1ccc(/C=C2\C[C@@]3(OC(=O)C4CCCC4)CCCN2C3)cc1 ZINC000096018772 EH Annotated Anodyne N#Cc1ccc(/C=C2\C[C@@]3(OC(=O)c4ccccc4)CCCN2C3)cc1 ZINC000096018778 EH Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3cccs3)C2)O1 ZINC000096018782 EH Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(c3ccccc3)C2)O1 ZINC000096018785 EH Annotated Anodyne N#Cc1ccc(/C=C2\C[C@@]3(OC(=O)c4ccco4)CCCN2C3)cc1 ZINC000096018820 EH Annotated Anodyne CCCC(=O)O[C@@]12CCCN(C1)/C(=C/c1cccc(N(C)C)c1)C2 ZINC000096018835 EH Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1cccc(Cl)c1)C2)c1ccno1 ZINC000096018845 EH Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccc(Cl)cc1)C2)c1ccno1 ZINC000096018847 EH Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1cccnc1)C2)c1cccc(F)c1 ZINC000096018863 EH Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccncc1)C2)c1cccc(F)c1 ZINC000096018869 EH Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1cccnc1)C2)c1ccc(F)cc1 ZINC000096018875 EH Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccncc1)C2)c1ccc(F)cc1 ZINC000096018881 EH Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1cccnc1)C2)C1CCCCC1 ZINC000096018903 EH Annotated Anodyne COc1cccc(/C=C2\C[C@@]3(OC(=O)C(C)(C)C)CCCN2C3)c1 ZINC000096018918 EH Annotated Anodyne O=C(O[C@@]12CCCN(C1)/C(=C/c1ccncc1)C2)C1CCCCC1 ZINC000096018935 EH Annotated Anodyne COc1cccc(/C=C2\C[C@@]3(OC(=O)c4ccco4)CCCN2C3)c1 ZINC000096018946 EH Annotated Anodyne COc1ccc(/C=C2\C[C@@]3(OC(=O)c4ccco4)CCCN2C3)cc1 ZINC000096018962 EH Annotated Anodyne O=C(NCc1ccccc1)OCCCN1C(=O)CCC12CCCCC2 ZINC000096019297 EH Annotated Anodyne CCC(=O)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1=O ZINC000096019341 EH Annotated Anodyne CC(=O)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1=O ZINC000096019343 EH Annotated Anodyne CC1CCC2(CCC(=O)N2CCCOC(=O)c2ccccc2)CC1 ZINC000096019348 EH Annotated Anodyne CCCCCCCCN1CN2Cc3ccccc3[C@@H]2CS1(=O)=O ZINC000096020169 EH Annotated Anodyne CO[C@H]1OC(c2ccccc2)=C(c2cnc(N)nc2)c2ccc(F)cc21 ZINC000096020777 EH Annotated Anodyne CO[C@@H]1OC(c2ccccc2)=C(c2cnc(N)nc2)c2ccc(F)cc21 ZINC000096020778 EH Annotated Anodyne FC1(F)CCN(Cc2cccnc2)C[C@]12CCN(c1ccccc1)C2 ZINC000096051113 EH Annotated Anodyne FC1(F)CCN(Cc2cccnc2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096051114 EH Annotated Anodyne O=C1CCC2(CCC(NCc3cccnc3)CC2)N1Cc1ccccc1 ZINC000096075886 EH Annotated Anodyne COc1cc2cc(c1O)-c1cc(ccc1O)CC[C@@H](O)CCCC2 ZINC000096085498 EH Annotated Anodyne in-vitro Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H]3O[C@]31C2=O ZINC000096086279 EH Annotated Anodyne C=C[C@](C)(O)[C@@H](O)C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C ZINC000096086290 EH Annotated Mild Cc1ccccc1-c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)n2[nH]1 ZINC000096129289 EH Annotated Bother CC(=O)Nc1cc(N/C=C2\C=CC(=O)C=C2O)c(Cl)cc1Cl ZINC000096129910 EH Annotated Mild O=C(CNc1cccc(F)c1Cl)N/N=C/c1ccccc1Cl ZINC000096167317 EH Annotated Reactive Cc1cc2nc(Nc3cccnc3)nnc2cc1-c1cc(O)ccc1F ZINC000096167778 EH Annotated Anodyne CCCOc1ccc([C@@H]2CNC(=O)N2c2ccc3nc[nH]c3c2)cc1 ZINC000096168035 EH Annotated Anodyne CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3nc[nH]c3c2)cc1 ZINC000096168036 EH Annotated Anodyne O=C(c1ccc2nccn2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000096169246 EH Annotated Anodyne O=C(c1ccc2nccn2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000096169247 EH Annotated Anodyne COc1ccc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)cc1N ZINC000096169274 EH Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)cc1N ZINC000096169275 EH Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2C1 ZINC000096169280 EH Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2C1 ZINC000096169281 EH Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2N1 ZINC000096169282 EH Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2N1 ZINC000096169283 EH Annotated Anodyne O=C(c1ccc(O)c(F)c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000096169290 EH Annotated Anodyne O=C(c1ccc(O)c(F)c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000096169291 EH Annotated Anodyne O=C(c1ccn2ccnc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000096169308 EH Annotated Anodyne O=C(c1ccn2ccnc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000096169309 EH Annotated Anodyne COc1ccc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)cc1O ZINC000096169328 EH Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)cc1O ZINC000096169329 EH Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2S1 ZINC000096169383 EH Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2S1 ZINC000096169384 EH Annotated Anodyne Nc1nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2s1 ZINC000096169391 EH Annotated Anodyne Nc1nc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2s1 ZINC000096169392 EH Annotated Anodyne Nc1ccc(C(=O)N2CCC[C@@H]3c4ccccc4C[C@@H]32)cc1Cl ZINC000096169414 EH Annotated Anodyne Nc1ccc(C(=O)N2CCC[C@H]3c4ccccc4C[C@@H]32)cc1Cl ZINC000096169415 EH Annotated Anodyne O=C(c1ccc(Cl)c(O)c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 ZINC000096169422 EH Annotated Anodyne O=C(c1ccc(Cl)c(O)c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 ZINC000096169423 EH Annotated Anodyne O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 ZINC000096169450 EH Annotated Anodyne O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 ZINC000096169451 EH Annotated Anodyne Nc1cc(C(=O)N2CCC[C@@H]3c4ccccc4C[C@@H]32)ccc1Cl ZINC000096169452 EH Annotated Anodyne Nc1cc(C(=O)N2CCC[C@H]3c4ccccc4C[C@@H]32)ccc1Cl ZINC000096169453 EH Annotated Anodyne CCO/N=C(\C)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1 ZINC000096170305 EH Annotated Mild Cc1cc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)c(C)o1 ZINC000096172028 EH Annotated Anodyne O=C(c1ccc(O)c(F)c1)N(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000096173897 EH Annotated Anodyne Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173942 EH Annotated Anodyne Nc1cccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)c1 ZINC000096173949 EH Annotated Anodyne Oc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173950 EH Annotated Anodyne OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173954 EH Annotated Anodyne NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173992 EH Annotated Anodyne C[C@]1(c2cccc(CC(=O)c3ccc(C#N)cc3)c2)CCSC(N)=N1 ZINC000096174309 EH Annotated Mild C[C@@]1(c2cccc(CC(=O)c3ccc(C#N)cc3)c2)CCSC(N)=N1 ZINC000096174310 EH Annotated Mild Cc1ccccc1-c1ccc(OCC(F)(F)F)c(OC2CNC2)c1 ZINC000096175900 EH Annotated Anodyne CC(C)n1cc(C2=NCc3ccnc(O[C@@H](C)C(F)(F)F)c32)cn1 ZINC000096175987 EH Annotated Anodyne CC(C)n1cc(C2=NCc3ccnc(O[C@H](C)C(F)(F)F)c32)cn1 ZINC000096175988 EH Annotated Anodyne c1ccc2ncc(C3=NCc4ccnc(OC5CCOCC5)c43)cc2c1 ZINC000096176036 EH Annotated Anodyne Brc1ccc(NCc2cnc[nH]2)cc1Br ZINC000096177541 EH Annotated Anodyne CC(C)(C)c1ccccc1SC1CN(C(=O)c2ccccn2)C1 ZINC000096177565 EH Annotated Anodyne C/C(Nc1cccc(-c2cnc3ccccc3n2)c1)=C1\CCOC1=O ZINC000096178018 EH Annotated Anodyne O=C(Cc1ccc(F)c(F)c1)c1cc(Oc2cccnc2)ccn1 ZINC000096178131 EH Annotated Anodyne O=C(Cc1cccc(Cl)n1)c1cc(Oc2cccnc2)ccn1 ZINC000096178142 EH Annotated Anodyne O=C(Cc1ccnc(Cl)c1)c1cc(Oc2cccnc2)ccn1 ZINC000096178143 EH Annotated Anodyne Cc1nc(CC(=O)c2cncc(Oc3cccnc3)c2)sc1F ZINC000096178152 EH Annotated Anodyne O=C1C(Nc2cccc(O)c2)=C(N2CCCCC2)C(=O)c2ccccc21 ZINC000096243302 EH Annotated Mild COCCN/N=N/c1cccc(Nc2cc(-c3cccnc3)ncn2)c1 ZINC000096258117 EH Annotated Clean Brc1ccc(-c2nnc3sc(-c4ccoc4)nn23)cc1 ZINC000096269545 EH Annotated Anodyne O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(Cl)c1)O3 ZINC000096269847 EH Annotated Anodyne O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Cl)c1)O3 ZINC000096269848 EH Annotated Anodyne CC(C)c1ccc(-n2cc(C(=O)c3ccccc3[N+](=O)[O-])nn2)cc1 ZINC000096270243 EH Annotated Bother Cc1ccc(/C=C2\CNCC3=C2NC(=O)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000096270592 EH Annotated Anodyne Cc1ccc(/C=C2\CNCC3=C2NC(=O)N[C@H]3c2ccc(C)cc2)cc1 ZINC000096270593 EH Annotated Anodyne Cc1ccccc1/C=C1\CNCC2=C1NC(=O)N[C@@H]2c1ccccc1C ZINC000096270604 EH Annotated Anodyne Cc1ccccc1/C=C1\CNCC2=C1NC(=O)N[C@H]2c1ccccc1C ZINC000096270605 EH Annotated Anodyne CCOc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1 ZINC000096271136 EH Annotated Anodyne Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(C)n3)[nH]c2c1 ZINC000096271630 EH Annotated Anodyne O=C(C1CCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1 ZINC000096272966 EH Annotated Mild O=C([C@@H]1CC12CCC2)N1CCc2nc(C#Cc3ccccc3)sc2C1 ZINC000096272974 EH Annotated Mild O=C([C@H]1CC12CCC2)N1CCc2nc(C#Cc3ccccc3)sc2C1 ZINC000096272975 EH Annotated Mild S=C1N[C@@H](c2cccc(Oc3ccccc3)c2)N2CCCCN12 ZINC000096282419 EH Annotated Anodyne S=C1N[C@H](c2cccc(Oc3ccccc3)c2)N2CCCCN12 ZINC000096282420 EH Annotated Anodyne Cc1cc(Nc2nc3cccc(-c4cnn(CC(C)C)c4)n3n2)ccn1 ZINC000096282536 EH Annotated Anodyne O=C(c1ccc(-c2ccccc2)cc1)c1cccn1-c1cnn(O)c1 ZINC000096282646 EH Annotated Anodyne O=C(c1ccc(-c2ccccc2)cc1)c1ccn(-c2cnn(O)c2)c1 ZINC000096282649 EH Annotated Anodyne COc1ccc(-c2csc(NC(=O)c3cc(C)no3)c2)cc1OC ZINC000096282752 EH Annotated Anodyne Fc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)c(F)c1 ZINC000096282992 EH Annotated Anodyne Clc1ncccc1-c1nnc(/C=C/c2ccc3c(c2)OCO3)o1 ZINC000096284407 EH Annotated Anodyne COc1ccc(CC[C@H]2C[C@@H](CCc3ccc(OC)cc3)N2)cc1 ZINC000096285968 EH Annotated Anodyne COc1ccc(CC[C@@H]2C[C@@H](CCc3ccc(OC)cc3)N2)cc1 ZINC000096285971 EH Annotated Anodyne CC(=O)O[C@@H](c1ccc(F)cc1)[C@H](Cn1ccnn1)c1ccccc1 ZINC000096286430 EH Annotated Anodyne COCO[C@@H](c1ccc(F)cc1)[C@H](Cn1ccnn1)c1ccccc1 ZINC000096286436 EH Annotated Anodyne CC(=O)O[C@@H](c1ccc(F)cc1)[C@@H](Cn1ccnn1)c1ccccc1 ZINC000096286439 EH Annotated Anodyne COCO[C@@H](c1ccc(F)cc1)[C@@H](Cn1ccnn1)c1ccccc1 ZINC000096286445 EH Annotated Anodyne CCC(=O)N1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2N1C/C=C/c1cccc(Cl)c1 ZINC000096299325 EH Annotated Anodyne Clc1ccc(N2C[C@H]3C[C@@H]2CN3Cc2c[nH]c3ncccc23)cc1 ZINC000096305016 EH Annotated Anodyne N#C[C@]12C(O)=NC(=N)[C@@]1(C#N)[C@@H](c1ccccc1)OC1=C2CCCC1 ZINC000096336645 EH Annotated Mild N#C[C@]12C(O)=NC(=N)[C@@]1(C#N)[C@H](c1ccccc1)OC1=C2CCCC1 ZINC000096336646 EH Annotated Mild N#C[C@]12C(O)=NC(=N)[C@@]1(C#N)[C@@H](c1ccccc1)OC1=C2CCCCC1 ZINC000096336762 EH Annotated Mild N#C[C@]12C(O)=NC(=N)[C@@]1(C#N)[C@H](c1ccccc1)OC1=C2CCCCC1 ZINC000096336763 EH Annotated Mild C=C1C(=O)O[C@@H]2C(=O)[C@H](C)CCC/C(C)=C/CC[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000096900422 EH Annotated Mild Cc1cc2c(c3c1C[C@@H]1[C@@H](C)CO[C@]1(C)O3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 ZINC000096900521 EH Annotated Anodyne C[C@H]1CO[C@]2(C)Oc3ccc4c(c3C[C@H]12)O[C@@]1(C)OC[C@H](C)[C@H]1C4 ZINC000096900980 EH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)/N=N\c2c(O)[nH]c3ccccc23)c1 ZINC000096901534 EH Annotated Clean Cc1ccc(C)c(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)c1 ZINC000096901535 EH Annotated Clean O=C1C=CC2(C=C1)OC[C@@H](c1ccc(-c3cnccc3Cl)cc1)O2 ZINC000096901586 EH Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1ccc(-c3cnccc3Cl)cc1)O2 ZINC000096901587 EH Annotated Mild C=Cc1ccc2c(C3=Nc4ccccc4/C3=N\OC(C)=O)c(O)[nH]c2c1 ZINC000096901650 EH Annotated Mild COc1ccc(/C(C)=N/Nc2ncc(Cl)cc2Cl)c(O)c1 ZINC000096901854 EH Annotated Mild COC1=C[C@H]2[C@@H](C=C1)Sc1ccccc1N2C[C@H](C)CN(C)C ZINC000096902370 EH Annotated Anodyne NNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3 ZINC000096903268 EH Annotated Anodyne NNc1nc(-c2ccccn2)nc2sc3c(c12)CCCCCC3 ZINC000096903271 EH Annotated Anodyne CC(C)CCn1c(CN2C(=O)[C@@H](O)c3ccccc32)nc2ccccc21 ZINC000096904006 EH Annotated Anodyne Fc1cnc(-c2nn3c(-c4ccccc4Cl)nnc3s2)c(F)c1 ZINC000096904283 EH Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)o1 ZINC000096905435 EH Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)o1 ZINC000096905436 EH Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3cccs3)ccc12 ZINC000096905437 EH Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccs3)ccc12 ZINC000096905438 EH Annotated Anodyne O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1 ZINC000096905581 EH Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3)ccc12 ZINC000096905947 EH Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccc3)ccc12 ZINC000096905948 EH Annotated Anodyne Nn1c(SCc2ccc(F)cc2)nnc1-c1c[nH]c2ccccc12 ZINC000096906214 EH Annotated Anodyne COc1ccc(-c2c3c(nc4ncn5ncnc5c24)[C@H](C)CCC3)cc1 ZINC000096906364 EH Annotated Anodyne COc1ccc(-c2c3c(nc4ncn5ncnc5c24)[C@@H](C)CCC3)cc1 ZINC000096906365 EH Annotated Anodyne C[C@@H]1CCCc2c1nc1nc(=O)[nH]c(N)c1c2-c1ccc(Cl)cc1 ZINC000096906374 EH Annotated Anodyne C[C@H]1CCCc2c1nc1nc(=O)[nH]c(N)c1c2-c1ccc(Cl)cc1 ZINC000096906375 EH Annotated Anodyne COc1ccc(-c2c3c(nc4nc(C)[nH]c(=O)c24)[C@H](C)CCC3)cc1 ZINC000096906386 EH Annotated Anodyne COc1ccc(-c2c3c(nc4nc(C)[nH]c(=O)c24)[C@@H](C)CCC3)cc1 ZINC000096906387 EH Annotated Anodyne Cc1cccc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 ZINC000096906572 EH Annotated Anodyne Cn1c(N)nc([C@H]2C[C@H]2c2cccc(/C=C/c3ccccc3)c2)cc1=O ZINC000096907173 EH Annotated Anodyne O=C(c1ccccc1)c1sc(N2CCCC2)nc1Br ZINC000096907305 EH Annotated Anodyne CN(C)CCCN(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 ZINC000096907887 EH Annotated Anodyne CCCCc1c(C)sc2nc(-c3ccc(O)c(O)c3)[nH]c(=O)c12 ZINC000096907904 EH Annotated Clean CCCc1c(CC)sc2nc(-c3ccc(O)c(O)c3)[nH]c(=O)c12 ZINC000096907905 EH Annotated Clean O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCCCCC3 ZINC000096907908 EH Annotated Clean Nc1cc(Cl)c(Cl)cc1C1=NN(C(=O)c2ccccc2)CC1 ZINC000096907967 EH Annotated Anodyne CCn1c(-c2ccc([S@](C)=O)cc2)c(C#N)c2ccc(OC)cc21 ZINC000096908671 EH Annotated Mild CCn1c(-c2ccc([S@@](C)=O)cc2)c(C#N)c2ccc(OC)cc21 ZINC000096908672 EH Annotated Mild CC1(C)C/C(=N/CCCN2CCOCC2)Nc2ccc(Cl)cc21 ZINC000096908686 EH Annotated Mild C=Cc1cccc(-c2cc3c(cc2C(=O)O)OCO3)c1N(C)CC ZINC000096909162 EH Annotated Anodyne C=Cc1cccc(-c2cc3c(cc2C(=O)OC)OCO3)c1N(C)C ZINC000096909165 EH Annotated Anodyne N#Cc1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C#N)OCO3 ZINC000096909454 EH Annotated Mild N#Cc1c(N)c(Cl)c(N2CCCCC2)c(C#N)c1N1CCCCC1 ZINC000096909569 EH Annotated Mild O=C(/C=C/c1cc(Br)c(Br)[nH]1)c1ccc[nH]1 ZINC000096910054 EH Annotated Mild CCCOC(=O)CCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910540 EH Annotated Anodyne CCCOC(=O)CCN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910541 EH Annotated Anodyne CCOC(=O)CCCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910542 EH Annotated Anodyne CCOC(=O)CCCN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910543 EH Annotated Anodyne Nc1nnc(SCc2cc(=O)oc3c2ccc2ccccc23)s1 ZINC000096910552 EH Annotated Bother O=c1c2cccc(Cl)c2ncn1CSc1nc2ccccc2o1 ZINC000096910566 EH Annotated Anodyne CC(C)OC(=O)CCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910582 EH Annotated Anodyne CC(C)OC(=O)CCN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910583 EH Annotated Anodyne COc1ccc(N/N=C2/C(=O)c3cc(Cl)ccc3N=C2O)c(C)c1 ZINC000096910585 EH Annotated Mild CC(=O)c1ccc(N/N=C2/C(=O)c3ccc(Cl)cc3N=C2O)cc1 ZINC000096910589 EH Annotated Mild COc1ccc(N/N=C2/C(=O)c3ccc(Cl)cc3N=C2O)cc1 ZINC000096910590 EH Annotated Mild O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(O)=Nc2cc(Cl)ccc21 ZINC000096910591 EH Annotated Mild CC(=O)c1ccc(N/N=C2/C(=O)c3cc(Cl)ccc3N=C2O)cc1 ZINC000096910597 EH Annotated Mild CC(=O)c1ccc(N/N=C2/C(=O)c3cccc(Cl)c3N=C2O)cc1 ZINC000096910599 EH Annotated Mild O=C1/C(=N/Nc2cccc([N+](=O)[O-])c2)C(O)=Nc2c(Cl)cccc21 ZINC000096910600 EH Annotated Mild COc1ccc(N/N=C2/C(=O)c3cc(Cl)ccc3N=C2O)cc1 ZINC000096910631 EH Annotated Mild O=C1/C(=N/Nc2cccc([N+](=O)[O-])c2)C(O)=Nc2ccc(Cl)cc21 ZINC000096910634 EH Annotated Mild O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(O)=Nc2ccc(Cl)cc21 ZINC000096910637 EH Annotated Mild CCCCNc1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 ZINC000096910796 EH Annotated Bother CC(C)CNc1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 ZINC000096910797 EH Annotated Bother Cc1cc(C)c2c(OCCOCCOc3ccccc3)nsc2n1 ZINC000096910902 EH Annotated Anodyne CNC(=O)c1cc(N(C)c2ccc(OC)cc2)cc(C(F)(F)F)c1 ZINC000096910977 EH Annotated Anodyne COC(=O)CC[C@H](C)N[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911360 EH Annotated Anodyne COC(=O)CC[C@@H](C)N[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911361 EH Annotated Anodyne COC(=O)CC[C@H](C)N[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911362 EH Annotated Anodyne COC(=O)CC[C@@H](C)N[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911364 EH Annotated Anodyne CCOC(=O)CCN(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911382 EH Annotated Anodyne CCOC(=O)CCN(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096911384 EH Annotated Anodyne Cc1cc(C)c2c(OCCOC(=O)Nc3ccccc3)nsc2n1 ZINC000096913309 EH Annotated Anodyne O=c1[nH]c2ccccc2n2c(-c3cccnc3)nc(-c3ccccc3)c12 ZINC000096913546 EH Annotated Anodyne O=c1[nH]c2ccccc2n2c(-c3ccccn3)nc(-c3ccccc3)c12 ZINC000096913548 EH Annotated Anodyne CCOC1=C(OCC)C(=O)c2cc3c(cc2C1=O)CCCC3(C)C ZINC000096914026 EH Annotated Mild CSc1cc(/C=C/c2ccc(O[C@@H]3CCCCO3)cc2)nc(N)n1 ZINC000096914141 EH Annotated Anodyne CSc1cc(/C=C/c2ccc(O[C@H]3CCCCO3)cc2)nc(N)n1 ZINC000096914142 EH Annotated Anodyne N#Cc1cc2c(-c3cccnc3)nn(-c3ccccc3)c2nc1S ZINC000096914391 EH Annotated Mild CC1=CC[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 ZINC000096914577 EH Annotated Anodyne CC(C)(C)c1cccc(-c2cnc3c(CNC(=N)N)cccc3n2)c1 ZINC000096915141 EH Annotated Anodyne CC(C)(C)c1ccc(-c2cnc3c(CNC(=N)N)cccc3n2)cc1 ZINC000096915142 EH Annotated Anodyne CC(C)(C)c1ccc(-c2ncnc3c(CNC(=N)N)cccc23)cc1 ZINC000096915144 EH Annotated Anodyne CC(C)(C)c1ccc(-c2cccc3c(CNC(=N)N)ncnc23)cc1 ZINC000096915146 EH Annotated Anodyne CC(C)(C)c1ccc(-c2ccnc3c(CNC(=N)N)ccnc23)cc1 ZINC000096915507 EH Annotated Anodyne O=C1C=CC2(C=C1)OC[C@@H](c1ccc(-c3cccc(C(=O)O)c3)cc1)O2 ZINC000096916475 EH Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1ccc(-c3cccc(C(=O)O)c3)cc1)O2 ZINC000096916477 EH Annotated Mild O=C1C=CC2(C=C1)OC[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1)O2 ZINC000096916479 EH Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1)O2 ZINC000096916481 EH Annotated Mild CCC(=O)c1ccc2c(c1)sc(=O)n2CCN1CCCCCC1 ZINC000096916499 EH Annotated Anodyne CCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1 ZINC000096916501 EH Annotated Anodyne CN(C)c1ccc(-c2ccc([C@@H]3COC4(C=CC(=O)C=C4)O3)cc2)cc1 ZINC000096916714 EH Annotated Mild CN(C)c1ccc(-c2ccc([C@H]3COC4(C=CC(=O)C=C4)O3)cc2)cc1 ZINC000096916716 EH Annotated Mild O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(-c3cccnc3)cc1)O2 ZINC000096916755 EH Annotated Mild O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(-c3ccncc3)cc1)O2 ZINC000096916757 EH Annotated Mild O=C1C=CC2(C=C1)OC[C@@H](c1cccc(-c3cnccc3Cl)c1)O2 ZINC000096916838 EH Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1cccc(-c3cnccc3Cl)c1)O2 ZINC000096916840 EH Annotated Mild O=C1/C(=C/c2cccc(Br)c2)COc2cc(O)ccc21 ZINC000096917195 EH Annotated Mild CN(C)CCNC(=O)c1cc2c3ccccc3sc2c2cccnc12 ZINC000096921325 EH Annotated Bother CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)C([N+](=O)[O-])=C2 ZINC000096922348 EH Annotated Anodyne CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)C([N+](=O)[O-])=C2 ZINC000096922349 EH Annotated Anodyne O/N=C/c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12 ZINC000096922584 EH Annotated Mild Cc1ccc(-c2nc3ccc(Br)cn3c2/C=N/O)cc1 ZINC000096922585 EH Annotated Mild O=c1cc(CCl)oc(CN2CC=C(c3ccc(F)cc3)CC2)c1O ZINC000096922699 EH Annotated Reactive C#Cc1cccc(Nc2ccc3c(c2)nc(C(=O)O)c2cccn23)c1 ZINC000096923826 EH Annotated Mild C#Cc1cccc(Nc2nc3ccccc3n3cc(C(=O)O)cc23)c1 ZINC000096923831 EH Annotated Mild C#Cc1cccc(Nc2nc3ccccc3n3ccc(C(=O)O)c23)c1 ZINC000096923833 EH Annotated Mild C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3n3cccc23)c1 ZINC000096923835 EH Annotated Mild C#Cc1cccc(Nc2nc3ccc(C(=O)O)cc3n3cccc23)c1 ZINC000096923837 EH Annotated Mild C#Cc1cccc(Nc2nc3cccc(C(=O)O)c3n3cccc23)c1 ZINC000096923839 EH Annotated Mild CCn1c(SC/C(=N/O)c2ccccc2)nnc1-c1ccccc1 ZINC000096924051 EH Annotated Mild COc1ccc2oc3c(O)c4c(cc3c(=O)c2c1)CCC(C)(C)O4 ZINC000096927746 EH Annotated Bother Fc1ccc(Nc2nc(NC3CCCCC3)nc3[nH]ncc23)cc1 ZINC000096928143 EH Annotated Anodyne CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)[C@@]1(O)C#N ZINC000096928259 EH Annotated Reactive COc1cccc2c(=O)c3cc4c(c(O)c3oc12)OC(C)(C)CC4 ZINC000096928326 EH Annotated Bother COc1c2c(cc3c(=O)c4ccc(O)cc4oc13)CCC(C)(C)O2 ZINC000096928329 EH Annotated Bother Fc1ccc(Nc2nc(NCc3ccccc3)nc3[nH]ncc23)cc1 ZINC000096928443 EH Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)C1 ZINC000096928449 EH Annotated Anodyne C[C@H]1C[C@H](C)CN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)C1 ZINC000096928450 EH Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)C1 ZINC000096928451 EH Annotated Anodyne Cc1ccc(N(/N=C/c2cccc(O)c2)C(=O)C(F)(F)F)c(C)c1 ZINC000096928712 EH Annotated Reactive COc1ccc(C(=O)Cc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1 ZINC000096929679 EH Annotated Anodyne Cc1n(Cc2cc3ccccc3o2)cc[n+]1CC(=O)c1ccccc1 ZINC000096930256 EH Annotated Mild CN(C)CCCN[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(Cc1ccccc1)C3 ZINC000096931464 EH Annotated Anodyne CN(C)CCCN[C@H]1C2C[C@@H]3C[C@H](C2)CC1(Cc1ccccc1)C3 ZINC000096931466 EH Annotated Anodyne N#Cc1c(N/N=C/c2ccccc2)nc(S)nc1-c1ccc(F)cc1 ZINC000096932747 EH Annotated Mild COc1nc(C)nc(/N=C(\C)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000096932889 EH Annotated Mild CC(C)(CCS(=O)(=O)CCCCCCCCO)N(Cl)Cl ZINC000096933021 EH Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@](C)(O)[C@]12CC1=C(O2)[C@H](O)CCC1=O ZINC000096933283 EH Annotated Mild CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O ZINC000096933292 EH Annotated Mild CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O ZINC000096933293 EH Annotated Mild C/C(C=O)=C\CC[C@@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3 ZINC000096933294 EH Annotated Reactive CCOC(=O)c1oc2c(Br)c(OC)cc(OC)c2c1C ZINC000096933642 EH Annotated Anodyne COc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)c2C#N)c1 ZINC000096933855 EH Annotated Mild CN(C)/C=C/c1nc(C(C)(C)C)cc2c1C(=O)c1ccccc1C2=O ZINC000096934765 EH Annotated Clean COc1ccc2c3ccc4c5c(cc6c4c3n(cc-2c1=O)CC6)OCO5 ZINC000096935116 EH Annotated Anodyne S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNC1CCCCC1 ZINC000096935210 EH Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@@H]1CCCCCN1C(=O)N2c1ccccc1 ZINC000096935395 EH Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@H]1CCCCCN1C(=O)N2c1ccccc1 ZINC000096935396 EH Annotated Anodyne O=C1N(c2ccccc2)c2nc(=S)sc(O)c2[C@@H]2CCCN12 ZINC000096935401 EH Annotated Anodyne O=C1N(c2ccccc2)c2nc(=S)sc(O)c2[C@H]2CCCN12 ZINC000096935402 EH Annotated Anodyne CC(=O)c1s/c(=N/N=C/c2ccc(Cl)cc2Cl)[nH]c1C ZINC000096937528 EH Annotated Mild COc1cc(OC)c2c(=O)n(-c3ccc(F)c(Cl)c3)ccc2c1 ZINC000096938015 EH Annotated Anodyne O=C(Nc1cc(F)ccn1)c1cc(Cl)cc(Oc2cncnc2)c1 ZINC000096938955 EH Annotated Anodyne Cc1ccnc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1 ZINC000096938957 EH Annotated Anodyne O=C(Nc1cccc(F)n1)c1cc(Cl)cc(Oc2cncnc2)c1 ZINC000096938962 EH Annotated Anodyne COc1ccccc1N/N=C(/C)c1c(O)ccc2c(C)cc(=O)oc12 ZINC000096939305 EH Annotated Mild C=C1C=C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 ZINC000097505705 EH Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC[C@@]1(C)O ZINC000097528398 EH Annotated Anodyne Cc1cn2c(c/c1=[O+]/C(F)(F)F)CSn1c-2nc2ccccc21 ZINC000098043958 EH Annotated Anodyne in-man Nc1cc(-c2ccccc2)nn1C(=O)c1csc(-c2ccccc2)n1 ZINC000098082836 EH Annotated Anodyne O=S(=O)(O)c1cc(O)c(/N=C/c2ccccc2)c2ccccc12 ZINC000098083297 EH Annotated Mild COc1ccccc1/C=N/c1nnc(-c2cc3ccccc3oc2=O)o1 ZINC000098083376 EH Annotated Mild COc1cccc(/C=N/c2nnc(-c3cc4ccccc4oc3=O)o2)c1 ZINC000098083377 EH Annotated Mild O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccccc2F)o1 ZINC000098083378 EH Annotated Mild O=c1oc2ccccc2cc1-c1nnc(/N=C/c2cccc(F)c2)o1 ZINC000098083380 EH Annotated Mild Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(-n3ccnc3)cc2)n1 ZINC000098083438 EH Annotated Anodyne COc1ccc2nc3c(cc2c1)C=NN=C(NCc1ccccc1)S3 ZINC000098083618 EH Annotated Anodyne CO/N=C(\c1ccon1)c1ccccc1COc1ccc(F)cc1 ZINC000098083817 EH Annotated Mild CO/N=C(\c1ccon1)c1ccccc1COc1cccc(F)c1 ZINC000098083818 EH Annotated Mild COC(=O)C1=C(N)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000098083854 EH Annotated Anodyne COC(=O)C1=C(N)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000098083855 EH Annotated Anodyne CCOC1=C(Sc2ccc(O)cc2)C(=O)c2ccccc2C1=O ZINC000098084388 EH Annotated Mild CC1(C)CCC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000098084527 EH Annotated Anodyne CC1(C)CCC[C@@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000098084528 EH Annotated Anodyne CCCN(CC)C(=O)c1cn(C)nc1OCc1ccc(SC)cc1 ZINC000098084553 EH Annotated Anodyne N=C(/N=C/c1c(O)ccc2ccccc12)Nc1nc2ccccc2[nH]1 ZINC000098084556 EH Annotated Mild Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4nnc(C)n4C=N[C@@H]32)cc1 ZINC000098085182 EH Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nnc(C)n4C=N[C@@H]32)cc1 ZINC000098085183 EH Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4nnc(C)n4C=N[C@H]32)cc1 ZINC000098085184 EH Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nnc(C)n4C=N[C@H]32)cc1 ZINC000098085185 EH Annotated Anodyne O=C1C[C@@H]2c3ccc4ccccc4c3O[C@H]2N1c1cccc([N+](=O)[O-])c1 ZINC000098085249 EH Annotated Bother O=C1C[C@@H]2c3ccc4ccccc4c3O[C@@H]2N1c1cccc([N+](=O)[O-])c1 ZINC000098085250 EH Annotated Bother O=C1C[C@H]2c3ccc4ccccc4c3O[C@H]2N1c1cccc([N+](=O)[O-])c1 ZINC000098085251 EH Annotated Bother O=C1C[C@H]2c3ccc4ccccc4c3O[C@@H]2N1c1cccc([N+](=O)[O-])c1 ZINC000098085252 EH Annotated Bother O=C1C[C@@H]2c3ccc4ccccc4c3O[C@H]2N1c1ccc([N+](=O)[O-])cc1 ZINC000098085253 EH Annotated Bother O=C1C[C@@H]2c3ccc4ccccc4c3O[C@@H]2N1c1ccc([N+](=O)[O-])cc1 ZINC000098085254 EH Annotated Bother O=C1C[C@H]2c3ccc4ccccc4c3O[C@H]2N1c1ccc([N+](=O)[O-])cc1 ZINC000098085255 EH Annotated Bother O=C1C[C@H]2c3ccc4ccccc4c3O[C@@H]2N1c1ccc([N+](=O)[O-])cc1 ZINC000098085256 EH Annotated Bother O=C(c1ccc(-c2cc3ccccc3oc2=O)nc1)c1ccccc1O ZINC000098085362 EH Annotated Anodyne CSc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1 ZINC000098085378 EH Annotated Bother O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccc(F)cc2)o1 ZINC000098085717 EH Annotated Mild COc1ccc(/C=N/c2nnc(-c3cc4ccccc4oc3=O)o2)cc1 ZINC000098085718 EH Annotated Mild N=C(OCc1cc[n+](Cc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000098207923 EH Annotated Anodyne NCC1(CCNC(=O)Nc2ccc3cnccc3c2)CCCCC1 ZINC000098208424 EH Annotated Anodyne Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1 ZINC000098209150 EH Annotated Anodyne