COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)Cn1nnc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000001162719 JF Annotated Bother COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)Cn1nnc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000001162721 JF Annotated Bother COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3s/c(=C\c4cc(C)n(C)c4C)c(=O)n32)c(OC)c1 ZINC000001168407 JF Annotated Mild COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3s/c(=C\c4cc(C)n(C)c4C)c(=O)n32)c(OC)c1 ZINC000001168409 JF Annotated Mild Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)C(=O)c1cnccn1)c1nnnn12 ZINC000001376981 JF Annotated Anodyne O=C(O)CNC(=O)c1ccc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000001483321 JF Annotated Reactive COC(=O)c1[nH]c2c(c1C(=O)OC)[C@]13C[C@H]1CN(C(=O)c1cc4cc(OC)ccc4[nH]1)C3=CC2=O ZINC000001484204 JF Annotated Mild CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4cc(N)c(F)cc4F)c3c2Cl)C1 ZINC000001485362 JF Annotated Anodyne CNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4cc(N)c(F)cc4F)c3c2Cl)C1 ZINC000001485363 JF Annotated Anodyne CC(C)CCn1c(=O)c(C2=Nc3ccccc3S(=O)(=O)N2)c(O)c2ccc(C(=O)O)cc21 ZINC000001489276 JF Annotated Anodyne COC(=O)[C@]12CC3=CC[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3Cc3ccccc3[C@@H]1CNC2=O ZINC000100022407 JF Annotated Anodyne COC(=O)[C@@]12CC3=CC[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3Cc3ccccc3[C@@H]1CNC2=O ZINC000100022412 JF Annotated Anodyne CC(C)(C(=O)N[C@H]1[C@H]2CCC[C@H]1C[C@@H](C(N)=O)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000100065719 JF Annotated Anodyne CC(C)(C(=O)N[C@@H]1[C@H]2CCC[C@@H]1C[C@H](C(N)=O)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000100065723 JF Annotated Anodyne CC(C)(C(=O)N[C@H]1[C@H]2CCC[C@@H]1C[C@@H](C(N)=O)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000100065726 JF Annotated Anodyne CC(C)(C(=O)N[C@H]1[C@@H]2CCC[C@@H]1C[C@@H](C(N)=O)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000100065729 JF Annotated Anodyne CC(C)(C(=O)N[C@H]1[C@H]2CCC[C@H]1C[C@H](C(N)=O)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000100065732 JF Annotated Anodyne CC(C)(C(=O)N[C@@H]1[C@H]2CCC[C@@H]1C[C@@H](C(N)=O)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000100065735 JF Annotated Anodyne CC(C)(C(=O)N[C@H]1[C@H]2CCC[C@@H]1C[C@H](C(N)=O)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000100065741 JF Annotated Anodyne CC(C)(C(=O)N[C@H]1[C@@H]2CCC[C@@H]1C[C@H](C(N)=O)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000100065745 JF Annotated Anodyne N#C[C@@]1(c2ccc(-c3c(F)cc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@H]2COC[C@H]21 ZINC000100082926 JF Annotated Mild CC(=S)NC[C@H]1CN(c2ccc(-c3ccc([C@]4(C#N)[C@H]5CNC[C@H]54)nc3)c(F)c2)C(=O)O1 ZINC000100083024 JF Annotated Mild N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](CNc5ccon5)OC4=O)cc3F)cn2)[C@H]2CNC[C@H]21 ZINC000100083037 JF Annotated Mild N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)[C@H]2CNC[C@H]21 ZINC000100083038 JF Annotated Mild C[C@H](O)[C@H](C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C3[C@H]12 ZINC000100091188 JF Annotated Mild in-vitro Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2cccc(C#N)c2)n1 ZINC000100097994 JF Annotated Mild Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(O)c2)n1 ZINC000100098013 JF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)CN4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000100124232 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000100126697 JF Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=N[C@H](C)C=N2)[C@@H](CO)N3C)cc1 ZINC000100134897 JF Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=N[C@@H](C)C=N2)[C@@H](CO)N3C)cc1 ZINC000100134899 JF Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)C2=N[C@H](C)C=N2)[C@@H](CO)N3C)cc1 ZINC000100134905 JF Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)C2=N[C@@H](C)C=N2)[C@@H](CO)N3C)cc1 ZINC000100134908 JF Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=N[C@H](C)C=N2)[C@H](CO)N3C)cc1 ZINC000100134913 JF Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=N[C@@H](C)C=N2)[C@H](CO)N3C)cc1 ZINC000100134916 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5cccc(F)c5)cc4[C@@H]32)=N1 ZINC000100135036 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5cccc(F)c5)cc4[C@@H]32)=N1 ZINC000100135040 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(F)c5)cc4[C@@H]32)=N1 ZINC000100135046 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(F)c5)cc4[C@@H]32)=N1 ZINC000100135051 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(F)c5)cc4[C@H]32)=N1 ZINC000100135057 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5cccc(F)c5)cc4[C@H]32)=N1 ZINC000100135062 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4cccc(F)c4)ccc2N(C)[C@H]3CO)=N1 ZINC000100135066 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4cccc(F)c4)ccc2N(C)[C@H]3CO)=N1 ZINC000100135069 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@H]32)=N1 ZINC000100136567 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@H]32)=N1 ZINC000100136569 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@@H]32)=N1 ZINC000100136575 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@@H]32)=N1 ZINC000100136581 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@@H]32)=N1 ZINC000100136588 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@@H]32)=N1 ZINC000100136590 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(F)cc4)ccc2N(C)[C@H]3CO)=N1 ZINC000100136595 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccc(F)cc4)ccc2N(C)[C@H]3CO)=N1 ZINC000100136600 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)C2=N[C@H](C)C=N2)[C@@H](CO)N3C)c1 ZINC000100137164 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)C2=N[C@@H](C)C=N2)[C@@H](CO)N3C)c1 ZINC000100137168 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)C2=N[C@H](C)C=N2)[C@H](CO)N3C)c1 ZINC000100137175 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)C2=N[C@@H](C)C=N2)[C@H](CO)N3C)c1 ZINC000100137178 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=N[C@H](C)C=N2)[C@@H](CO)N3C)c1 ZINC000100137184 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=N[C@@H](C)C=N2)[C@@H](CO)N3C)c1 ZINC000100137191 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=N[C@H](C)C=N2)[C@H](CO)N3C)c1 ZINC000100137197 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=N[C@@H](C)C=N2)[C@H](CO)N3C)c1 ZINC000100137200 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4F)ccc2N(C)[C@H]3CO)=N1 ZINC000100138284 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4F)ccc2N(C)[C@H]3CO)=N1 ZINC000100138289 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@H]32)=N1 ZINC000100138292 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@H]32)=N1 ZINC000100138295 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)=N1 ZINC000100138298 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)=N1 ZINC000100138303 JF Annotated Anodyne C[C@@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)=N1 ZINC000100138310 JF Annotated Anodyne C[C@H]1C=NC(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)=N1 ZINC000100138313 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1Cc1ccccc1OC ZINC000100140203 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1Cc1ccccc1OC ZINC000100140208 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1Cc1ccccc1OC ZINC000100142597 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1Cc1ccccc1OC ZINC000100142600 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1C(=O)Nc1cc(F)ccc1F ZINC000100142711 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1C(=O)Nc1cc(F)ccc1F ZINC000100142715 JF Annotated Anodyne C=CCN(Cc1ccccc1)C(=O)[C@H]1N(Cc2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]12O3 ZINC000100264530 JF Annotated Mild C=CCN(Cc1ccccc1)C(=O)[C@H]1N(Cc2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@@]12O3 ZINC000100264532 JF Annotated Mild COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccnc3)oc12 ZINC000100281392 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccnc3)oc12 ZINC000100281397 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(F)cc3)oc12 ZINC000100281625 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(F)cc3)oc12 ZINC000100281630 JF Annotated Anodyne C=CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000100288026 JF Annotated Mild C=CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000100288028 JF Annotated Mild O=C(O)c1cc(=O)c([C@H]2CC(=O)c3nc4c(=O)cccc-4[nH]c3C2)c2[nH]c3c(O)cccc3nc1-2 ZINC000100302714 JF Annotated Bother in-vitro O=C(O)c1cc(=O)c([C@@H]2CC(=O)c3nc4c(=O)cccc-4[nH]c3C2)c2[nH]c3c(O)cccc3nc1-2 ZINC000100302718 JF Annotated Bother in-vitro COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@@H]3C[C@]123 ZINC000100304097 JF Annotated Mild in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@@H](O)[C@H](C)[C@H](O)/C(C)=C/CCC2=CC(=O)C=C(NC(=O)C1)C2=O ZINC000100305822 JF Annotated Mild in-vitro COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 ZINC000100406078 JF Annotated Mild COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 ZINC000100406081 JF Annotated Mild O=C1C=c2ccccc2=C/C1=C1/NN=C(SCC(=O)c2ccc(F)cc2)N1Cc1ccco1 ZINC000100443838 JF Annotated Mild Cc1ccc([C@@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)o1 ZINC000100446382 JF Annotated Mild Cc1ccc([C@H]2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)o1 ZINC000100446384 JF Annotated Mild CCOC(=O)C1=c2/c(=C\c3ccccc3OC)c(N)c(C#N)n2C(=O)[C@H](c2ccccc2OC)S1 ZINC000100454682 JF Annotated Mild CCOC(=O)C1=c2/c(=C\c3ccccc3OC)c(N)c(C#N)n2C(=O)[C@@H](c2ccccc2OC)S1 ZINC000100454690 JF Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cnn1-c1ccccc1 ZINC000100471818 JF Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)cnn1-c1ccccc1 ZINC000100471824 JF Annotated Mild O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)OCN1C(=O)[C@H]2C=CC=C[C@H]2C1=O ZINC000100473744 JF Annotated Anodyne O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)OCN1C(=O)[C@@H]2C=CC=C[C@H]2C1=O ZINC000100473749 JF Annotated Anodyne O=c1nc2n(c(O)c1C(c1c(O)n3c(nc1=O)SCC3)c1cccc3ccccc13)CCS2 ZINC000100509281 JF Annotated Anodyne CCCN(CCC)Cc1c(C(=O)N/N=C\C(C)=C/c2ccccc2)nnn1-c1nonc1N ZINC000100510844 JF Annotated Reactive COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)[C@H]2c2cccc(O)c2)cc1OC ZINC000100511894 JF Annotated Mild COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)[C@@H]2c2cccc(O)c2)cc1OC ZINC000100511897 JF Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc(Cl)c2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000100530472 JF Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc(Cl)c2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000100530477 JF Annotated Mild COc1cc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@@H]2CCCO2)ccc1NC(C)=O ZINC000100548524 JF Annotated Mild COc1cc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@H]2CCCO2)ccc1NC(C)=O ZINC000100548529 JF Annotated Mild CCCNC(=O)Cn1c(=O)/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C/C(=O)C(C)(C)C ZINC000100564793 JF Annotated Bother CCOCCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 ZINC000100622710 JF Annotated Bother Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)cnn1-c1ccccc1 ZINC000100623079 JF Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)cnn1-c1ccccc1 ZINC000100623081 JF Annotated Mild Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(=O)c(Cc3ccccc3)c2O)cc1 ZINC000100630326 JF Annotated Anodyne C[C@@H]1CC[C@@H]([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 ZINC000100630460 JF Annotated Reactive CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@@](C)(=N)=O)CCOCC2)n1 ZINC000100630889 JF Annotated Anodyne CNc1nc2ccc(F)cc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@](C)(=N)=O)CC2)n1 ZINC000100630907 JF Annotated Anodyne CNc1nc2cc(F)ccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@@](C)(=N)=O)CC2)n1 ZINC000100630955 JF Annotated Anodyne CN(C)C(=O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633155 JF Annotated Anodyne CN(C)C(=O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633157 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C[C@H]1C[C@H](O)CO1 ZINC000100636933 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C[C@@H]1C[C@H](O)CO1 ZINC000100636937 JF Annotated Anodyne COCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000100644540 JF Annotated Anodyne COCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000100644541 JF Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@H]([C@H]4CC[C@@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000100678861 JF Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3cncc(Cl)n3)CC1)[C@@H]1CC[C@@H]2[C@H]2CC[C@@H]21 ZINC000100678867 JF Annotated Anodyne CC(C)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC12C[C@@H]3C[C@H](CC(NCC(=O)O)(C3)C1)C2 ZINC000100726082 JF Annotated Anodyne CC(C)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC12C[C@@H]3C[C@H](CC(NCC(=O)O)(C3)C1)C2 ZINC000100726088 JF Annotated Anodyne CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@@H]2O[C@@H]3C[C@@H](C)O[C@@H]3[C@@H]2O)C(=O)N1C ZINC000100773592 JF Annotated Mild in-man endogenous CC(C)[C@@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@@H]2O[C@@H]3C[C@@H](C)O[C@@H]3[C@@H]2O)C(=O)N1C ZINC000100773594 JF Annotated Mild in-man endogenous CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@H]2O[C@@H]3C[C@@H](C)O[C@@H]3[C@@H]2O)C(=O)N1C ZINC000100773597 JF Annotated Mild in-man endogenous CC(C)[C@@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@H]2O[C@@H]3C[C@@H](C)O[C@@H]3[C@@H]2O)C(=O)N1C ZINC000100773601 JF Annotated Mild in-man endogenous CC(C)CC(=O)O[C@H]1OC=C(COC(=O)CC(C)(C)O)C2=C[C@@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]21 ZINC000100777240 JF Annotated Anodyne in-man endogenous CC(C)CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]12CO2 ZINC000100777241 JF Annotated Anodyne in-man endogenous CC(C)CC(=O)O[C@H]1OC=C(COC(=O)CC(C)(C)O)C2=C[C@@H](OC(=O)CC(C)C)[C@]3(CO3)[C@H]21 ZINC000100777242 JF Annotated Anodyne in-man endogenous CC(C)CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)(C)O)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000100777244 JF Annotated Anodyne in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000100778439 JF Annotated Reactive in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000100778440 JF Annotated Reactive in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000100778441 JF Annotated Reactive in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000100778442 JF Annotated Reactive in-man endogenous CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@]4(C)C3=C(C(=O)O[C@H]4c3ccoc3)[C@@]2(O)[C@]2(C)OC(=O)C[C@H]12 ZINC000100779094 JF Annotated Anodyne in-man endogenous CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@]4(C)C3=C(C(=O)O[C@H]4c3ccoc3)[C@@]2(O)[C@@]2(C)OC(=O)C[C@H]12 ZINC000100779096 JF Annotated Anodyne in-man endogenous CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@]4(C)C3=C(C(=O)O[C@H]4c3ccoc3)[C@@]2(O)[C@]2(C)OC(=O)C[C@@H]12 ZINC000100779097 JF Annotated Anodyne in-man endogenous CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@]4(C)C3=C(C(=O)O[C@H]4c3ccoc3)[C@@]2(O)[C@@]2(C)OC(=O)C[C@@H]12 ZINC000100779099 JF Annotated Anodyne in-man endogenous C[C@H]1CC(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)C[C@@H](C)C2=O)C1=O ZINC000100785443 JF Annotated Bother C[C@H]1CC(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)C[C@H](C)C2=O)C1=O ZINC000100785446 JF Annotated Bother CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)c1ccccc1)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000100797898 JF Annotated Anodyne in-vivo O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000100807093 JF Annotated Anodyne C=C(C)C1=C[C@]23O[C@]4(C(=O)C=C(OC)C(=O)[C@@H]14)[C@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000100829147 JF Annotated Mild in-man C=C(C)C1=C[C@@]23O[C@@]4(C(=O)C=C(OC)C(=O)[C@@H]14)[C@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000100829148 JF Annotated Mild in-man CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@]2(O)CCl ZINC000100829696 JF Annotated Reactive in-man CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)CCl ZINC000100829697 JF Annotated Reactive in-man CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@]2(O)CCl ZINC000100829698 JF Annotated Reactive in-man CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)CCl ZINC000100829699 JF Annotated Reactive in-man COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc(C)c1)N(C)[C@H]2c1cccc(C)c1 ZINC000100864358 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc(C)c1)N(C)[C@H]2c1cccc(C)c1 ZINC000100864359 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc(F)c1)N(C)[C@H]2c1cccc(F)c1 ZINC000100864421 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc(F)c1)N(C)[C@@H]2c1cccc(F)c1 ZINC000100864425 JF Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c1cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(C#N)cc1[n+]2[O-] ZINC000100901744 JF Annotated Mild O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1nc2cc[nH]cc-2n1 ZINC000100935025 JF Annotated Anodyne COc1cc(/C=C/S(=O)(=O)N2CCN(Cc3cc4c[nH]ccc-4n3)C(=O)C2)sc1Cl ZINC000100935038 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ncc(Cl)cc3s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935039 JF Annotated Anodyne Nc1[nH]ccc2nc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3=O)cc1-2 ZINC000100935042 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)nc3s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935043 JF Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O[C@@H]3CCCCO3)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000100948982 JF Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O[C@@H]3CCCCO3)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000100948987 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000100994094 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000100994099 JF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C[C@@H]3CCCO3)C(=O)[C@H]24)cc1 ZINC000100994180 JF Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C[C@@H]3CCCO3)C(=O)[C@H]24)cc1 ZINC000100994182 JF Annotated Anodyne O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCN(C2CCCCC2)CC1 ZINC000100998412 JF Annotated Anodyne C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(=O)N(C)C(=O)[C@H]1CC)C(C)C)c1ccccc1 ZINC000101006209 JF Annotated Anodyne CC(C)[C@H](NC(=O)C[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C ZINC000101007157 JF Annotated Anodyne C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(=O)N(OCC)C(=O)[C@H]1C)C(C)C)c1ccccc1 ZINC000101007735 JF Annotated Anodyne C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(=O)N(C2CC2)C(=O)[C@H]1C)C(C)C)c1ccccc1 ZINC000101007782 JF Annotated Anodyne CC[C@]1(C)O[C@]2(OC[C@H]([C@H]3OC(=O)C(O)=C3O)O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000101031516 JF Annotated Anodyne CC[C@]1(C)O[C@]2(OC[C@@H]([C@H]3OC(=O)C(O)=C3O)O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000101031518 JF Annotated Anodyne CC(=O)NC1=CC(=O)c2ccc(-c3[nH]c(C(=O)N4CCOCC4)cc4c5ccccc5nc3-4)nc2C1=O ZINC000101033449 JF Annotated Mild Cc1cc2cc(N/C(=C\[N+](=O)[O-])N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1 ZINC000101035236 JF Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NCC#N)ccc3N2)c(O)c2cccnc21 ZINC000101045248 JF Annotated Mild COc1ccc2c(c1)S(=O)(=O)NC(c1c(O)c3cccnc3n(Cc3ccccc3)c1=O)=N2 ZINC000101055695 JF Annotated Anodyne COc1ccc2c(c1)NC(c1c(O)c3cccnc3n(Cc3ccccc3)c1=O)=NS2(=O)=O ZINC000101058359 JF Annotated Anodyne O=C(CN1CCCC[C@H](N/C(=C/[N+](=O)[O-])Nc2ccc3ccccc3c2)C1=O)N1CCCC1 ZINC000101060741 JF Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(NCC(=O)O)ccc21 ZINC000101077524 JF Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(OCC#N)ccc3N2)c(O)c2cccnc21 ZINC000101085956 JF Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(-n2cncn2)cc1 ZINC000101097049 JF Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(-n2cncn2)cc1 ZINC000101097050 JF Annotated Anodyne CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)C[C@@H]1COc1ccc(-n2cncn2)cc1 ZINC000101097051 JF Annotated Anodyne CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)C[C@H]1COc1ccc(-n2cncn2)cc1 ZINC000101097053 JF Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H]([C@H]3SC(=S)N(CCS(=O)(=O)O)C3=O)c3ccccc32)cc1 ZINC000101098746 JF Annotated Clean Cc1ccc(CN2C(=O)[C@@H]([C@@H]3SC(=S)N(CCS(=O)(=O)O)C3=O)c3ccccc32)cc1 ZINC000101098749 JF Annotated Clean COc1cccc2c1NC(c1c(O)c3cccnc3n(Cc3ccccc3)c1=O)=NS2(=O)=O ZINC000101101528 JF Annotated Anodyne CCOC(=O)Cn1c(=O)n(C[C@@H]2CC[C@@H](C(=O)NCCc3ccccc3)CC2)c(=O)c2ccccc21 ZINC000101102409 JF Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)cc2)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101122270 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)cc2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101122274 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)cc2)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101122276 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)c2ccc(OC)cc2)[C@H]67)[C@@H]1O ZINC000101127606 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)c2ccc(OC)cc2)[C@H]67)[C@@H]1O ZINC000101127608 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)c2ccc(OC)cc2)[C@H]67)[C@@H]1O ZINC000101127610 JF Annotated Mild CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000101208954 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000101208958 JF Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000101242660 JF Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CC3CC3)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)NC(=O)[C@H]12 ZINC000101253560 JF Annotated Mild COc1c(N2C[C@H]3[C@H](CN)[C@H]3C2)c(F)cc2c1N(c1ccc(F)cc1F)C[C@@H](C(=O)O)C2=O ZINC000101265192 JF Annotated Anodyne COc1c(N2C[C@H]3[C@H](CN)[C@H]3C2)c(F)cc2c1N(c1ccc(F)cc1F)C[C@H](C(=O)O)C2=O ZINC000101265195 JF Annotated Anodyne CC1=NN(C(=O)c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000101305362 JF Annotated Clean C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101313522 JF Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101320291 JF Annotated Mild CN(C)c1nccc(-c2[nH]c([C@@H]3OC[C@@](C)(C(=O)N4CCOCC4)CO3)nc2-c2ccc(F)cc2)n1 ZINC000101347429 JF Annotated Anodyne Nc1nn2c(O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2c1[N+](=O)[O-] ZINC000101356019 JF Annotated Bother COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1F)N(C)[C@@H]2c1ccccc1F ZINC000101376344 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000101393794 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000101393799 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101394518 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101394522 JF Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000101395028 JF Annotated Anodyne Cc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000101395030 JF Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000101403128 JF Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000101403131 JF Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1 ZINC000101441298 JF Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1O ZINC000101448430 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1O ZINC000101448431 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1O ZINC000101448435 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)c2ccc(OC)c(OC)c2)[C@H]67)[C@@H]1O ZINC000101453770 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)c2ccc(OC)c(OC)c2)[C@H]67)[C@@H]1O ZINC000101453773 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(OC(=O)c2ccc(OC)c(OC)c2)[C@H]67)[C@@H]1O ZINC000101453776 JF Annotated Mild COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@H](NCc4ccc5c(c4)OCCO5)CC3)c2n1 ZINC000101459060 JF Annotated Anodyne COc1cc(F)c2nccc(NC(=O)[C@@]3(O)CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000101459071 JF Annotated Anodyne COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000101459074 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@H](NC(=O)Nc5ccccc5)[C@H]4C3)c(F)c2)C(=O)O1 ZINC000101465480 JF Annotated Anodyne C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C)C(C)C)c1ccccc1 ZINC000101477561 JF Annotated Anodyne O=c1nc2n(c(O)c1[C@@H](c1ccc(F)cc1)c1c(O)nc3n(c1=O)CCCS3)CCCS2 ZINC000101491176 JF Annotated Anodyne O=c1nc2n(c(O)c1[C@H](c1ccc(F)cc1)c1c(O)nc3n(c1=O)CCCS3)CCCS2 ZINC000101491177 JF Annotated Anodyne Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000101500496 JF Annotated Anodyne Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000101500504 JF Annotated Anodyne C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101503760 JF Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101504965 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101504968 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000101504970 JF Annotated Mild Cc1nnc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000101507761 JF Annotated Anodyne N#C/C(=C(/O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1 ZINC000101511688 JF Annotated Reactive COC(=O)[C@H]1C[C@H]2COC[C@H](C1)[C@H]2NC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc(Cl)c1C ZINC000101543640 JF Annotated Anodyne COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[C@H]2NC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc(Cl)c1C ZINC000101543647 JF Annotated Anodyne C[C@]1(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000101543715 JF Annotated Mild C[C@]1(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000101543722 JF Annotated Mild C[C@]1(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000101543844 JF Annotated Anodyne C[C@]1(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000101543852 JF Annotated Anodyne CN1C(=O)[C@]23SS[C@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H]3O ZINC000101549923 JF Annotated Reactive O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(NC2CCS(=O)(=O)CC2)nc1C1CCCC1 ZINC000101585323 JF Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(NC2CCS(=O)(=O)CC2)nc1C1CCCC1 ZINC000101585327 JF Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(NC2CCS(=O)(=O)CC2)nc1C1CCCC1 ZINC000101585334 JF Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2CCS(=O)(=O)CC2)nc1C1CCCC1 ZINC000101585338 JF Annotated Anodyne Cc1ccc([C@@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 ZINC000101588178 JF Annotated Anodyne COC(=O)/C(C#N)=C(\Nc1ccc2oc(C)cc2c1)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000101588779 JF Annotated Reactive Cc1cc(O)c2c(c1)[C@H](C[C@H]1OC[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H]1O)c1cccc(O)c1C2=O ZINC000101616299 JF Annotated Anodyne CC[C@H](C)[C@H](N/C(C)=C1\C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O)C(=O)O ZINC000101619661 JF Annotated Mild COc1cc(NC(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)cc(OC)c1 ZINC000101621046 JF Annotated Anodyne aggregator O=C(c1ccc(CNc2c(N3CCOCC3)c(=O)c2=O)cc1)N1CC=C(c2ccccc2)CC1 ZINC000101622017 JF Annotated Anodyne CC(C)(C)OC[C@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c1ccc(NC=C2C(=O)C=CC2=O)cc1 ZINC000101631649 JF Annotated Mild CC(C)(C)OC[C@@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c1ccc(NC=C2C(=O)C=CC2=O)cc1 ZINC000101634551 JF Annotated Mild O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000101639491 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000101639497 JF Annotated Anodyne CO[C@H]1/C=C\[C@@H](C)CC[C@@H]2C[C@H](C[C@](O)([C@@H]3CSC(=O)N3)O2)OC(=O)/C=C(/C)CC[C@@H]1O ZINC000101642266 JF Annotated Anodyne CC(C)N1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21 ZINC000101645454 JF Annotated Anodyne CC(C)N1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21 ZINC000101645457 JF Annotated Anodyne CC(C)N1C[C@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21 ZINC000101645461 JF Annotated Anodyne CC(C)N1C[C@H](OC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21 ZINC000101645465 JF Annotated Anodyne N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2F)[C@H]2CNC[C@H]21 ZINC000101645595 JF Annotated Mild C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@@H](OC(C)=O)[C@@]1(O)[C@H](/C=C(/C)CC[C@H]2OC(C)=O)OC(=O)[C@@H]1C ZINC000101651248 JF Annotated Mild CN1C[C@@]23C[C@H]4C[C@@H](O[C@@]4(C)C2)[C@H]3[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C1=O ZINC000101651323 JF Annotated Anodyne CN1C[C@@]23C[C@H]4C[C@@H](O[C@@]4(C)C2)[C@@H]3[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C1=O ZINC000101651327 JF Annotated Anodyne N#C[C@@]1(c2c(F)cc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2F)[C@H]2CNC[C@H]21 ZINC000101652589 JF Annotated Mild CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CC[C@H](CNC(=O)OC[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1 ZINC000101661628 JF Annotated Anodyne COc1ccc([C@@H](O)CNC2=CC(=O)c3c(ccn3S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000101664838 JF Annotated Mild COc1ccc([C@H](O)CNC2=CC(=O)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3C2=O)cc1 ZINC000101664852 JF Annotated Mild C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@@H](C)C(=O)[C@](C)(O)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000101665221 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@@](C)(O)C1=O ZINC000101665225 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@](C)(O)C1=O ZINC000101665228 JF Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000101672994 JF Annotated Mild COc1ccc(CNC(=O)C2CCC(C/N=c3/c(N4CCC(C)CC4)c(O)c3=O)CC2)cc1 ZINC000101683312 JF Annotated Anodyne C[C@H]1C/C=C/[C@H]2C(=O)[C@H](C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](O)/C=C/[C@@](C)(O)C1=O ZINC000101704277 JF Annotated Anodyne C/C1=C/[C@@H](C)C[C@@H](O)/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000101706654 JF Annotated Anodyne CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](OC(C)=O)[C@@]3(O)[C@H](/C=C(/C)CC[C@@H](OC(C)=O)[C@@]12C)OC(=O)[C@@H]3C ZINC000101708043 JF Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@@H](C)C(=O)[C@H](CO)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000101709977 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@H](CO)C1=O ZINC000101709982 JF Annotated Anodyne N=c1n(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2n1CC(=O)N/N=C/c1ccc(F)cc1 ZINC000101730911 JF Annotated Reactive N=c1n(CC(=O)N/N=C/c2cccc(F)c2)c2ccccc2n1CC(=O)N/N=C/c1cccc(F)c1 ZINC000101736560 JF Annotated Reactive CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000101739672 JF Annotated Anodyne CN1C(=O)[C@]23C[C@@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000101739681 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C\c2ccc(F)cc2F)s/c1=C1\C(=O)Nc2ccccc21 ZINC000101746079 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccc(F)cc2F)s/c1=C1\C(=O)Nc2ccccc21 ZINC000101746084 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C\c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(C)cc21 ZINC000101747638 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(C)cc21 ZINC000101747643 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C\c2ccccc2O)s/c1=C1\C(=O)Nc2ccc(C)cc21 ZINC000101747730 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccccc2O)s/c1=C1\C(=O)Nc2ccc(C)cc21 ZINC000101747734 JF Annotated Anodyne C=C1C[C@@H]2C(=O)N(Cc3ccccc3)C(C(=O)OCC)(C(=O)OCC)[C@@H]1N2C(=O)OC(C)(C)C ZINC000101766552 JF Annotated Mild C=C1C[C@H]2C(=O)N(Cc3ccccc3)C(C(=O)OCC)(C(=O)OCC)[C@H]1N2C(=O)OC(C)(C)C ZINC000101766557 JF Annotated Mild COc1ccc(/C=N/c2nc3[nH]nc(C)n3c(=O)c2S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000101790670 JF Annotated Mild CCOC(=O)c1ccc(NC(=O)CN2CCN(CC/N=C/C3=C(O)CC(C)(C)CC3=O)CC2)cc1 ZINC000101834523 JF Annotated Mild COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@]1(O)C[C@]4(CC(C)=O)N(C[C@@H](CC3)[C@@]24C)C[C@H]1C ZINC000101849418 JF Annotated Anodyne O=C(CSc1n[nH]c2c3ccccc3nc-2n1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000101857856 JF Annotated Anodyne C=C1C(=O)[C@]23C[C@@]1(OC)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCc1ccccc1 ZINC000101858581 JF Annotated Mild CS(=O)(=O)c1ccc(CN2C(=O)NC3(C[C@@H]4CC[C@@H](C3)N4Cc3cccc(F)c3)C2=O)cc1 ZINC000101874212 JF Annotated Anodyne CS(=O)(=O)c1ccc(CN2C(=O)NC3(C[C@H]4CC[C@H](C3)N4Cc3cccc(F)c3)C2=O)cc1 ZINC000101874217 JF Annotated Anodyne CCN(CC)c1ccc(-c2cn3c(=O)c4ncn([C@H]5C[C@H](N=[N+]=[N-])[C@@H](CO)O5)c4nc3[nH]2)cc1 ZINC000101876560 JF Annotated Clean CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(=O)C(F)F)C[C@]1(C)N ZINC000101892335 JF Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(=O)C(F)F)C[C@@]1(C)N ZINC000101892340 JF Annotated Mild CS(=O)(=O)c1ccc(CN2C(=O)NC3(C[C@@H]4CC[C@@H](C3)N4Cc3ccc(F)c(F)c3)C2=O)cc1 ZINC000101902562 JF Annotated Anodyne CS(=O)(=O)c1ccc(CN2C(=O)NC3(C[C@H]4CC[C@H](C3)N4Cc3ccc(F)c(F)c3)C2=O)cc1 ZINC000101902573 JF Annotated Anodyne N[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000101951925 JF Annotated Reactive O=C1[C@@H]2[C@H](C(=O)N1CCN1CCOCC1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101973902 JF Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1CCN1CCOCC1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000101973910 JF Annotated Anodyne O=C(O)CCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000102026605 JF Annotated Anodyne O=C(O)CCCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccccc2)[C@H]31 ZINC000102026613 JF Annotated Anodyne CCOC(=O)[C@H]1Sc2nnc(-c3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)n2NC1=O ZINC000102075665 JF Annotated Anodyne CCOC(=O)[C@@H]1Sc2nnc(-c3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)n2NC1=O ZINC000102075669 JF Annotated Anodyne CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(=O)C(F)F)C[C@]1(C)CN ZINC000102152781 JF Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(=O)C(F)F)C[C@@]1(C)CN ZINC000102152792 JF Annotated Mild CCc1c(Cc2ccccc2)n(COCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c(=O)[nH]c1=O ZINC000102153891 JF Annotated Mild CC(=O)N[C@@H]1CC[C@@H](N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)CC1 ZINC000102157184 JF Annotated Reactive COc1ccc(/C=N/c2nc3[nH]nc(C)n3c(=O)c2S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000102245231 JF Annotated Mild CC1=CN=C(NCCCCNC2=NC=C(C)/C(=C3/C=CC=CC3=O)N2)N/C1=C1/C=CC=CC1=O ZINC000102247248 JF Annotated Mild COc1cc(NC2=C(Cl)C(=O)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc(OC)c1 ZINC000102251148 JF Annotated Anodyne Cc1c(N2C(=O)C(Cl)=C(Nc3cccc([N+](=O)[O-])c3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000102255313 JF Annotated Bother COC(=O)c1[nH]c2c(c1C(=O)OC)[C@@]13C[C@H]1CN(C(=O)c1cc4cc(OC)ccc4[nH]1)C3=CC2=O ZINC000102261838 JF Annotated Mild COC(=O)c1[nH]c2c(c1C(=O)OC)[C@]13C[C@@H]1CN(C(=O)c1cc4cc(OC)ccc4[nH]1)C3=CC2=O ZINC000102261841 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)c(OC)c2)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000102298015 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)c(OC)c2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000102298019 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)c(OC)c2)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000102298022 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)c1ccc(OC)c(OC)c1 ZINC000102311657 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)c1ccc(OC)c(OC)c1 ZINC000102311662 JF Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)c1ccc(OC)c(OC)c1 ZINC000102311668 JF Annotated Mild C/C=C/C=C/C(=O)[C@]12C(=O)C(C)=C(O)[C@@](C)(O)[C@H]1[C@H]1/C(=C(O)\C=C\C=C\C)C(=O)[C@]2(C)C(=O)[C@@]1(C)O ZINC000102313502 JF Annotated Mild CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](OC(C)=O)[C@]34O[C@]3(C)C(=O)O[C@H]4/C=C(/C)CC[C@@H](OC(C)=O)[C@@]12C ZINC000102316385 JF Annotated Anodyne COc1cc(NC(=O)C2CCC(C/N=c3\c(N4CCCCC4)c(O)c3=O)CC2)cc(OC)c1 ZINC000102316564 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4[C@@H](CN(C)c5ccc([N+](=O)[O-])o5)[C@@H]4C3)c(F)c2)C(=O)O1 ZINC000102319756 JF Annotated Bother Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CCN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000102421831 JF Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102437665 JF Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102437672 JF Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)cnn1-c1ccccc1 ZINC000102495554 JF Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)cnn1-c1ccccc1 ZINC000102495560 JF Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102526803 JF Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102526812 JF Annotated Mild COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccc(OC)cc3)c(OC)c1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000102669480 JF Annotated Anodyne COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000102700000 JF Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000102700005 JF Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1\[C@@H]2CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12 ZINC000102737317 JF Annotated Mild CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(OC)c1 ZINC000102770727 JF Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000102770729 JF Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000102770733 JF Annotated Anodyne CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)c1ccc(C2=NOC(=O)C2)o1 ZINC000102811224 JF Annotated Mild CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)c1ccc(C2=NOC(=O)C2)o1 ZINC000102812349 JF Annotated Mild COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C[C@@H](O)[C@]34C[C@@H]5C[C@H](O[C@]5(C)C3)[C@H]24)c1O ZINC000102831484 JF Annotated Anodyne COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C[C@@H](O)[C@]34C[C@H]5C[C@H](O[C@]5(C)C3)[C@H]24)c1O ZINC000102831488 JF Annotated Anodyne COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C[C@@H](O)[C@]34C[C@@H]5C[C@H](O[C@]5(C)C3)[C@@H]24)c1O ZINC000102831489 JF Annotated Anodyne COC(=O)c1ccc(O)c(NC(=O)CC[C@]2(C)C(=O)C[C@@H](O)[C@]34C[C@H]5C[C@H](O[C@]5(C)C3)[C@@H]24)c1O ZINC000102831494 JF Annotated Anodyne C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(I)cc1 ZINC000102845668 JF Annotated Reactive CCC1=C2CC[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N\CCOC)OC(=O)N2C1=O ZINC000102881132 JF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc3c(=O)[nH]c(=O)oc23)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@]4(C)C2)[C@@H]31 ZINC000102891634 JF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc3c(=O)[nH]c(=O)oc23)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@]4(C)C2)[C@@H]31 ZINC000102891637 JF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc3c(=O)[nH]c(=O)oc23)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@]4(C)C2)[C@H]31 ZINC000102891641 JF Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc3c(=O)[nH]c(=O)oc23)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@]4(C)C2)[C@H]31 ZINC000102891643 JF Annotated Mild CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 ZINC000102910647 JF Annotated Mild CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 ZINC000102910649 JF Annotated Mild COC(=O)C1=NN(c2ccccc2)[C@H]2[C@H]3N(c4ccccc4)N=C(C(=O)OC)N3c3ccccc3N12 ZINC000102920955 JF Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccc2c(c1)OCO2 ZINC000102921057 JF Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1ccc(F)cc1 ZINC000102921596 JF Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1cccc(F)c1 ZINC000102921602 JF Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1cccc(F)c1 ZINC000102921605 JF Annotated Bother N#Cc1ccc2cccc(NC(=O)[C@@]3(O)CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000102930630 JF Annotated Mild CC1=NN(C(=O)CC(=O)NC(=O)/C=C\c2ccccc2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000102937846 JF Annotated Clean COc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1 ZINC000102947445 JF Annotated Mild Cc1ccc(S(=O)(=O)C2=c3nc4ccccc4cc3=C3C(=O)c4ccccc4C(=O)[C@H]32)cc1 ZINC000102962280 JF Annotated Clean Cc1cc(Cl)ccc1NC(=O)[C@H]1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N\NC(N)=S ZINC000102963111 JF Annotated Mild Cc1cc(Cl)ccc1NC(=O)[C@@H]1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N\NC(N)=S ZINC000102963114 JF Annotated Mild Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4nc(N5CCOCC5)ccn34)C2(C)C)ccc1C#N ZINC000102969023 JF Annotated Mild CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000102977401 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000102977402 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000102979748 JF Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000102979750 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)c1 ZINC000102979968 JF Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)c1 ZINC000102979970 JF Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccccc3Cl)c2)[nH]c1=O ZINC000102987501 JF Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C(=O)c4ccccc4)[C@H]32)[C@@H]1O ZINC000102989380 JF Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3cccc(Cl)c3)c2)[nH]c1=O ZINC000102994214 JF Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccc(Cl)cc3)c2)[nH]c1=O ZINC000102994219 JF Annotated Anodyne O=C(CSC1=NC(=O)N(CCCN2CCOCC2)[C@H]2CCC[C@H]12)Nc1ccc2c(c1)OCO2 ZINC000103000369 JF Annotated Anodyne O=C(CSC1=NC(=O)N(CCCN2CCOCC2)[C@@H]2CCC[C@H]12)Nc1ccc2c(c1)OCO2 ZINC000103000372 JF Annotated Anodyne O=C(CSC1=NC(=O)N(CCCN2CCOCC2)[C@H]2CCC[C@@H]12)Nc1ccc2c(c1)OCO2 ZINC000103000376 JF Annotated Anodyne O=C(CSC1=NC(=O)N(CCCN2CCOCC2)[C@@H]2CCC[C@@H]12)Nc1ccc2c(c1)OCO2 ZINC000103000380 JF Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1ccccc1 ZINC000103001354 JF Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1ccccc1 ZINC000103001359 JF Annotated Bother CCNC(=O)c1ccc(N2[C@@H]3CC[C@@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000103029458 JF Annotated Anodyne CCNC(=O)c1ccc(N2[C@H]3CC[C@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000103029464 JF Annotated Anodyne COC1=CC(=O)c2c(cc(OC)c([C@H](C)C3=C(O)C(=O)c4cc(O)cc(O)c4C3=O)c2O)C1=O ZINC000103031226 JF Annotated Mild O=c1[nH]/c(=C\c2cc3c(cn2)[nH]c2ccccc23)c(=O)[nH]/c1=C\c1cc2c(cn1)[nH]c1ccccc12 ZINC000103068462 JF Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103087447 JF Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4[C@H](NC(=N)N)[C@H]4C3)c2c1Cl ZINC000103091580 JF Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000103096033 JF Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000103096041 JF Annotated Mild C=C1C(=O)[C@@]23C(=O)OC[C@]4([C@@H](OC(C)=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@H]1[C@H]3OC(=O)CC ZINC000103098268 JF Annotated Mild O=C(O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@H]3C=C[C@]12O3)c1ccc(Br)cc1 ZINC000103108572 JF Annotated Anodyne O=C(O[C@@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@H]3C=C[C@@]21O3)c1ccccc1Br ZINC000103109077 JF Annotated Anodyne CCOc1ccc(C(=O)O[C@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@]23O4)cc1 ZINC000103109339 JF Annotated Anodyne COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@H]3C[C@@]123 ZINC000103120651 JF Annotated Mild Cn1cc(-c2cnc3oc4c(-c5ccc(=O)[nH]c5)nc(=O)n(CC[C@@H]5CCCO5)c4c3c2)cn1 ZINC000103131395 JF Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5ccc(=O)[nH]c5)nc(=O)n(CC[C@H]5CCCO5)c4c3c2)cn1 ZINC000103131398 JF Annotated Anodyne Nc1nc([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nnc[nH]2)cn2c(-c3cnn(-c4ccccc4)c3)cnc12 ZINC000103145857 JF Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(Oc1cccc2ccccc12)O[C@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(C)C ZINC000103146409 JF Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(Oc1cccc2ccccc12)O[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(C)C ZINC000103146423 JF Annotated Anodyne O=C1C(Br)=C(NCc2cn(-c3cccc([N+](=O)[O-])c3)nn2)C(=O)c2ccccc21 ZINC000103154286 JF Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(CNC2=CC(=O)c3ccccc3C2=O)nn1 ZINC000103154289 JF Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(CNC2=CC(=O)c3ccccc3C2=O)nn1 ZINC000103154293 JF Annotated Mild Cc1ccc(S(=O)(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)cc1 ZINC000103167282 JF Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)NC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O ZINC000103167856 JF Annotated Anodyne Cc1ccc(CS(=O)(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)cc1 ZINC000103167861 JF Annotated Anodyne CCCNC(=S)NS(=O)(=O)c1ccc(N2N=C(c3ccc(OC)cc3)CCC2=O)cc1 ZINC000103168324 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(N=O)[C@H](c2ccccc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000103170862 JF Annotated Anodyne O=C1NC2(CCC(NS(=O)(=O)c3cccc(F)c3)CC2)C(=O)N1CCOc1ccc(F)cc1 ZINC000103182168 JF Annotated Anodyne CCc1ccc(S(=O)(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)cc1 ZINC000103182177 JF Annotated Anodyne Cc1cccc(S(=O)(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)c1 ZINC000103182180 JF Annotated Anodyne CC[S@@](=O)[C@H](c1nc(OC)cc(OC)n1)c1ccccc1NS(=O)(=O)C(F)(F)F ZINC000103182425 JF Annotated Anodyne CC[S@](=O)[C@H](c1nc(OC)cc(OC)n1)c1ccccc1NS(=O)(=O)C(F)(F)F ZINC000103182428 JF Annotated Anodyne CC[S@@](=O)[C@@H](c1nc(OC)cc(OC)n1)c1ccccc1NS(=O)(=O)C(F)(F)F ZINC000103182433 JF Annotated Anodyne CC[S@](=O)[C@@H](c1nc(OC)cc(OC)n1)c1ccccc1NS(=O)(=O)C(F)(F)F ZINC000103182435 JF Annotated Anodyne C[C@@H]1CC[C@H]2C(CN3CCN(CCO)CC3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103184981 JF Annotated Reactive O=C1NC2(CCC(NS(=O)(=O)c3ccccc3F)CC2)C(=O)N1CCOc1ccc(F)cc1 ZINC000103187794 JF Annotated Anodyne CCN(CC)c1ccc2cc(-c3nc4sc(S(=O)(=O)/N=C/N(C)C)nn4c3C#N)c(=O)oc2c1 ZINC000103188809 JF Annotated Mild COCCOc1ccc(OC)c([C@H]2OC[C@]3(O)[C@H](Oc4c(OC)cccc4OC)OC[C@H]23)c1 ZINC000103192776 JF Annotated Anodyne COCCOc1ccc(OC)c([C@H]2OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]23)c1 ZINC000103192778 JF Annotated Anodyne COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCCCF)cccc3C(F)(F)F)nc12 ZINC000103193625 JF Annotated Anodyne COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OC(CF)CF)cccc3C(F)(F)F)nc12 ZINC000103195577 JF Annotated Anodyne O=C(Nc1nc(OC(F)F)cc(OC(F)F)n1)NS(=O)(=O)c1sccc1COCCF ZINC000103197974 JF Annotated Anodyne O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000103199145 JF Annotated Anodyne O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000103199147 JF Annotated Anodyne COCCOP(=O)(OCCOC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F ZINC000103201058 JF Annotated Reactive COCCOP(=O)(OCCOC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F ZINC000103201062 JF Annotated Reactive O=C1N(c2ccccc2)c2ncn(CN3CCOCC3)c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201345 JF Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCOCC3)c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201347 JF Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCOCC3)c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201349 JF Annotated Anodyne O=C1N(c2ccccc2)c2ncn(CN3CCOCC3)c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201351 JF Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCOCC3)[nH]c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201440 JF Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCOCC3)[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201443 JF Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCOCC3)[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201446 JF Annotated Anodyne O=C1N(c2ccccc2)c2nc(CCN3CCOCC3)[nH]c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201449 JF Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCOCC3)[nH]c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201473 JF Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCOCC3)[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201474 JF Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCOCC3)[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201476 JF Annotated Anodyne O=C1N(c2ccccc2)c2nc(CN3CCOCC3)[nH]c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201480 JF Annotated Anodyne O=C(Cn1nnc2ccccc2c1=O)N/N=c1/scc(-c2ccccc2)n1-c1ccccc1 ZINC000103205519 JF Annotated Reactive NS(=O)(=O)c1ccc(Nc2nc3c(s2)[C@H](c2ccc([N+](=O)[O-])cc2)c2c(nc[nH]c2=O)O3)cc1 ZINC000103209402 JF Annotated Bother NS(=O)(=O)c1ccc(Nc2nc3c(s2)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(nc[nH]c2=O)O3)cc1 ZINC000103209407 JF Annotated Bother COCCNC(=O)c1c(CS(=O)(=O)c2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000103209459 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccs2)N(N=O)[C@H](c2cccs2)[C@H](C(=O)OCC)S1(=O)=O ZINC000103210900 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)N(N=O)[C@H](c2ccsc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000103210908 JF Annotated Anodyne N#CC1=C(N)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103211030 JF Annotated Reactive N#CC1=C(N)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103211036 JF Annotated Reactive COc1ccc([C@H]2C(C#N)=C(N)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1OC ZINC000103211039 JF Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1OC ZINC000103211042 JF Annotated Reactive O=[N+]([O-])c1ccc([C@@H]2N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CCC[C@H]2C32NNC(=S)N2)cc1 ZINC000103216017 JF Annotated Anodyne COc1ccc(/C=N/n2c(C(F)(F)F)nn(CN3CCN(c4ncccn4)CC3)c2=S)cc1 ZINC000103220502 JF Annotated Mild Cc1nn(CC(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1I ZINC000103221751 JF Annotated Anodyne Cc1c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)cnn1-c1ccccc1 ZINC000103224502 JF Annotated Mild Cc1c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)cnn1-c1ccccc1 ZINC000103224506 JF Annotated Mild CNc1ccccc1C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000103224657 JF Annotated Anodyne CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)c1c(C)cccc1N)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000103224673 JF Annotated Anodyne CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C=C[C@@H](O)[C@H]3O)c2n1 ZINC000103225603 JF Annotated Anodyne CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1 ZINC000103225607 JF Annotated Anodyne COC(=O)[C@@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3C(=O)C[C@H]21 ZINC000103226635 JF Annotated Anodyne Cc1c(CC(=O)NCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000103232547 JF Annotated Clean O=C1C=C(NCCc2cc(Br)c(O)c(Br)c2)C(=O)c2cnncc21 ZINC000103234317 JF Annotated Mild CCCCN1C(=O)NC(=O)[C@@H](/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)C1=O ZINC000103235926 JF Annotated Mild CCCCN1C(=O)NC(=O)[C@H](/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)C1=O ZINC000103235928 JF Annotated Mild COC(=O)c1ccc(Cn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3cc(C(=O)OC)ccc32)cc1 ZINC000103235954 JF Annotated Clean COc1ccc(CCN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1OC ZINC000103236704 JF Annotated Anodyne Cc1ccc2oc(=O)c([C@@H](c3ccc(C(F)(F)F)cc3)c3c(N)n(C)c(=O)n(C)c3=O)c(O)c2c1 ZINC000103237015 JF Annotated Anodyne Cc1ccc2oc(=O)c([C@H](c3ccc(C(F)(F)F)cc3)c3c(N)n(C)c(=O)n(C)c3=O)c(O)c2c1 ZINC000103237017 JF Annotated Anodyne Cn1cnnc1SCC(=O)N/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000103238688 JF Annotated Reactive O=C(N1CCCN(C2CCC2)CC1)N1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000103243082 JF Annotated Anodyne O=C(N1CCCN(C2CCC2)CC1)N1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000103243084 JF Annotated Anodyne NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc21 ZINC000103243113 JF Annotated Anodyne C[C@H]1CN(c2ncc(C(=O)NC3[C@@H]4CC5C[C@@H]3CC(O)(C5)C4)c([C@@H]3CCCO3)n2)C[C@@H](C)O1 ZINC000103245495 JF Annotated Anodyne C[C@H]1CN(c2ncc(C(=O)NC3[C@H]4CC5C[C@@H]3CC(O)(C5)C4)c([C@@H]3CCCO3)n2)C[C@@H](C)O1 ZINC000103245497 JF Annotated Anodyne C[C@H]1CN(c2ncc(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)c([C@@H]3CCCO3)n2)C[C@@H](C)O1 ZINC000103245500 JF Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN([C@@H]2C[C@H]3C[C@H]3[C@H]2O)C(=O)C1 ZINC000103246476 JF Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN([C@H]2C[C@@H]3C[C@@H]3[C@H]2O)C(=O)C1 ZINC000103246479 JF Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN([C@@H]2C[C@H]3C[C@H]3[C@@H]2O)C(=O)C1 ZINC000103246482 JF Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN([C@H]2C[C@H]3C[C@H]3[C@H]2O)C(=O)C1 ZINC000103246483 JF Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN([C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O)C(=O)C1 ZINC000103246484 JF Annotated Anodyne C[C@H]1CN(c2ncc(C(=O)NC3[C@@H]4CC5C[C@@H]3CC(O)(C5)C4)c([C@H]3CCCO3)n2)C[C@@H](C)O1 ZINC000103247116 JF Annotated Anodyne C[C@H]1CN(c2ncc(C(=O)NC3[C@H]4CC5C[C@@H]3CC(O)(C5)C4)c([C@H]3CCCO3)n2)C[C@@H](C)O1 ZINC000103247118 JF Annotated Anodyne C[C@H]1CN(c2ncc(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)c([C@H]3CCCO3)n2)C[C@@H](C)O1 ZINC000103247122 JF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1 ZINC000103247930 JF Annotated Anodyne CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F ZINC000103250997 JF Annotated Anodyne C#Cc1cc2c(C)c(Cc3cccc(NS(=O)(=O)NC)c3)c(=O)oc2cc1OC(=O)N(C)C ZINC000103251013 JF Annotated Mild CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#N)c(OC(=O)N(C)C)cc3oc2=O)c1 ZINC000103251015 JF Annotated Mild COc1ncc2cc(C(=O)Nc3cc(C(=O)N[C@@H](CN)c4ccccc4)ccc3Cl)c(=O)[nH]c2n1 ZINC000103251267 JF Annotated Anodyne COc1ncc2cc(C(=O)Nc3cc(C(=O)N[C@H](CN)c4ccccc4)ccc3Cl)c(=O)[nH]c2n1 ZINC000103251269 JF Annotated Anodyne CCC(CC)C(=O)Nc1cc(NC(=O)CNC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC(=O)O ZINC000103253667 JF Annotated Clean COc1ccc(N2C[C@@H](COc3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)OC2=O)cc1 ZINC000103254678 JF Annotated Anodyne COc1ccc(N2C[C@H](COc3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)OC2=O)cc1 ZINC000103254682 JF Annotated Anodyne NCCCCn1cc(-c2ccc3ccc4ccc(-c5cn(CCCCN)nn5)nc4c3n2)nn1 ZINC000103257646 JF Annotated Bother COc1ccc(-n2cc(CNC[C@@H]3C(=O)O[C@H]4[C@H]3CCC(C)=C3C[C@H]5O[C@@]5(C)[C@@H]34)nn2)cc1 ZINC000103259253 JF Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccccc4[N+](=O)[O-])nn3)[C@@H]2CC1 ZINC000103259257 JF Annotated Bother CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@@H]2CC1 ZINC000103259261 JF Annotated Bother CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccc([N+](=O)[O-])cc4)nn3)[C@@H]2CC1 ZINC000103259264 JF Annotated Bother COc1ccccc1-n1cc(CNC[C@@H]2C(=O)O[C@H]3[C@H]2CCC(C)=C2C[C@H]4O[C@@]4(C)[C@@H]23)nn1 ZINC000103259295 JF Annotated Anodyne COc1cccc(-n2cc(CNC[C@@H]3C(=O)O[C@H]4[C@H]3CCC(C)=C3C[C@H]5O[C@@]5(C)[C@@H]34)nn2)c1 ZINC000103259298 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@]3(CNC(=O)c2ccccc2C(F)(F)F)CC2CC2)c1 ZINC000103260047 JF Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H](n1cnc3c(NCCN)ncnc31)O2 ZINC000103261073 JF Annotated Anodyne COc1c(C(C)(C)C)cc(-c2ccc[nH]c2=O)c2ncc(N3CC(CNS(C)(=O)=O)C3)cc12 ZINC000103268725 JF Annotated Anodyne O=C1C=C(n2cc(CNC3=C(Br)C(=O)c4ccccc4C3=O)nn2)C(=O)c2ccccc21 ZINC000103269109 JF Annotated Mild CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCCC(=O)OCCCCCO)CN1C ZINC000103272115 JF Annotated Anodyne COc1cc2c(cc1[C@H]1OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]13)O[C@@H](CCl)CO2 ZINC000103272213 JF Annotated Reactive COc1cc2c(cc1[C@H]1OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]13)O[C@H](CCl)CO2 ZINC000103272215 JF Annotated Reactive O=P(O)(O)C(Nc1ncnc2sc(-c3ccc(OC4CC4)cc3)cc12)P(=O)(O)O ZINC000103276790 JF Annotated Anodyne CCOP(=O)(Cn1cc(Cn2c(=O)n(C(=O)c3ccccc3)c(=O)c3ccccc32)nn1)OCC ZINC000103281656 JF Annotated Anodyne C=C1C[C@](Cn2nc(C)c(=O)n(C[C@]3(c4ccccc4)CC(=C)C(=O)O3)c2=O)(c2ccccc2)OC1=O ZINC000103284372 JF Annotated Mild C=C1C[C@@](Cn2nc(C)c(=O)n(C[C@]3(c4ccccc4)CC(=C)C(=O)O3)c2=O)(c2ccccc2)OC1=O ZINC000103284376 JF Annotated Mild C=C1C[C@@](Cn2c(=O)c(C)nn(C[C@]3(c4ccccc4)CC(=C)C(=O)O3)c2=O)(c2ccccc2)OC1=O ZINC000103284379 JF Annotated Mild C=C1C[C@@](Cn2nc(C)c(=O)n(C[C@@]3(c4ccccc4)CC(=C)C(=O)O3)c2=O)(c2ccccc2)OC1=O ZINC000103284382 JF Annotated Mild C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/c4ccccc4)cn1c23 ZINC000103288553 JF Annotated Reactive C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/c4ccccc4)cn1c23 ZINC000103288555 JF Annotated Reactive CC(C)(C)c1ccc(-c2cnn3c(=O)[nH]c(SCc4[nH]c(=O)[nH]c(=O)c4Cl)nc23)cc1 ZINC000103288818 JF Annotated Anodyne CC(C)(C)c1ccc(-c2cc3nc(SCc4[nH]c(=O)[nH]c(=O)c4Cl)[nH]c(=O)n3n2)cc1 ZINC000103288836 JF Annotated Anodyne C#C[C@@H]1C[C@H]2O[C@]23C(=C)[C@@H]2[C@@H](OC(=O)C=C[C@@]2(C)[C@H]2CC(=O)OC2(C)C)[C@H](OC(C)=O)[C@@]13C ZINC000103289576 JF Annotated Mild CC1(C)[C@H]([C@@H](O)C(=O)OO)[C@]2(C)C(=O)[C@@H](CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]32)[C@H]1O ZINC000103290667 JF Annotated Reactive COc1ccc(/C=N/NC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OC[C@H]3C)cc1 ZINC000103290968 JF Annotated Reactive COc1ccc(/C=N/NC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OC[C@@H]3C)cc1 ZINC000103290970 JF Annotated Reactive CC1(C)[C@H]([C@@H](O)C(=O)O)[C@]2(C)C(=O)[C@@H](C=C3[C@@H]2CC[C@]2(C)[C@H]3CC(=O)O[C@H]2c2ccoc2)[C@H]1O ZINC000103292119 JF Annotated Anodyne CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C(=O)N2c2ccco2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103292178 JF Annotated Mild CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C(=O)N2Cc2ccccc2O)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103292254 JF Annotated Mild CC(=O)OC[C@@]12C(=O)[C@@H](OC(C)=O)[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 ZINC000103292269 JF Annotated Anodyne CC(=O)OC[C@@]12C(=O)[C@H]3OC(=O)[C@](C[C@H](OC(C)=O)c4ccoc4)([C@@H]3C)[C@H]1CCC[C@]21CO1 ZINC000103292271 JF Annotated Anodyne CC(=O)OC[C@@]12C(=O)[C@H]3OC(=O)[C@](C[C@H](OC(C)=O)c4ccoc4)([C@@H]3C)[C@@H]1CCC[C@]21CO1 ZINC000103292273 JF Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@@H]4CCO[C@H]4O3)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1 ZINC000103294969 JF Annotated Anodyne CC(=O)OC[C@@]12C=C[C@@H](C)[C@](C)([C@@H]3C[C@@H]4[C@@H](OC[C@@H]4OC(C)=O)O3)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1 ZINC000103294971 JF Annotated Anodyne CC(=O)OC[C@@]12C=C[C@@H](C)[C@](C)([C@@H]3C[C@H]4[C@H](OC(C)=O)CO[C@H]4O3)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1 ZINC000103294973 JF Annotated Anodyne CCOC(=O)/C(C#N)=C(/NNC(=O)c1cc(OC)c(OC)c(OC)c1)N[C@H](C)c1ccccc1 ZINC000103296103 JF Annotated Reactive O=C(c1ccc[n+](Cc2ccccc2)c1)N1CCN(C(=O)c2ccc[n+](Cc3ccccc3)c2)CC1 ZINC000103296251 JF Annotated Anodyne CN1C[C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297491 JF Annotated Clean COc1cc2c(cc1OC)[C@H](NC(=O)CN1CCN(Cc3ccccc3F)CC1)c1cn[nH]c1-2 ZINC000103300469 JF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](NC(=O)CN1CCN(Cc3ccccc3F)CC1)c1cn[nH]c1-2 ZINC000103300472 JF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](NC(=O)CN1CCN(Cc3ccccc3F)CC1)c1cnn(C)c1-2 ZINC000103300475 JF Annotated Anodyne COc1cc2c(cc1OC)[C@H](NC(=O)CN1CCN(Cc3ccccc3F)CC1)c1cnn(C)c1-2 ZINC000103300480 JF Annotated Anodyne CCN(Cc1ccccn1)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301269 JF Annotated Anodyne CCN(Cc1cccnc1)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301271 JF Annotated Anodyne CCN(Cc1ccncc1)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301273 JF Annotated Anodyne CCN(Cc1ccccn1)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301284 JF Annotated Anodyne CCN(Cc1cccnc1)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301287 JF Annotated Anodyne CCN(Cc1ccncc1)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301290 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCOCC2)cc1N/N=C1\SC(=N)N=C1c1ccccc1 ZINC000103429608 JF Annotated Mild CNC[C@]12C=CN(C(=N)NC)C[C@@]13[C@@H]1CC[C@H]4CCCC[C@@H](OC)[C@@]5(O)C(C(=O)O)=C(C1)[C@]43[C@@H]5CC2 ZINC000103524528 JF Annotated Anodyne in-vitro biogenic CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(COC2CCCC2)C(C(=O)O)=C3C1 ZINC000103524668 JF Annotated Anodyne in-vitro biogenic CNC[C@H]1C=CN(C(=N)NC2CCCCC2)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(C=O)C(C(=O)O)=C3C1 ZINC000103524713 JF Annotated Mild in-vitro biogenic Cc1cccc2sc(NC(=O)C3CCC(C/N=c4/c(N5CCOCC5)c(O)c4=O)CC3)nc12 ZINC000103533660 JF Annotated Anodyne CN(C)C[C@@H]1CC[N+]2=C(C1)/C(=C1/C(=O)NC(=O)/C1=C1\C=[N+](C)c3ccccc31)c1ccccc12 ZINC000103548401 JF Annotated Clean CN(C)C[C@@H]1CC[N+]2=C(C1)/C(=C1/C(=O)NC(=O)/C1=C1/C=[N+](C)c3ccccc31)c1ccccc12 ZINC000103548406 JF Annotated Clean CN(C)C[C@@H]1CC[N+]2=C(C1)/C(=C1\C(=O)NC(=O)\C1=C1/C=[N+](C)c3ccccc31)c1ccccc12 ZINC000103548408 JF Annotated Clean CN(C)C[C@@H]1CC[N+]2=C(C1)/C(=C1\C(=O)NC(=O)\C1=C1\C=[N+](C)c3ccccc31)c1ccccc12 ZINC000103548413 JF Annotated Clean C[C@H]1[C@H](O)CC[C@H]2C[C@H](CCCCCCC[C@](O)(CN[C@]3(C)CCN[C@H](N)C3)CC(=O)O)C=CN21 ZINC000103572613 JF Annotated Anodyne in-vitro biogenic CCNC[C@@](O)(CCCCCCC[C@@H]1C=CN2[C@@H](C)[C@H](O)C[C@H]([N+]3=CC=N[CH+]3)[C@H]2C1)CC(=O)O ZINC000103573011 JF Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](O)[C@@]34[C@H](O)CCC(C)(C)[C@]13C=CO[C@@]42CCC1=CC(=O)OC1 ZINC000103573651 JF Annotated Anodyne in-vitro biogenic COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(C)cc(C)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000103574849 JF Annotated Anodyne C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](O)[C@]1(O)CC(=O)C(C)=C([C@@H](O)[C@@H]2O)C1(C)C ZINC000103578784 JF Annotated Mild in-vitro biogenic C=CCOc1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCNCC2)cc1 ZINC000103674058 JF Annotated Mild C=CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCNCC2)cc1 ZINC000103674063 JF Annotated Mild Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCN(c5ccccc5)CC4)nc2-3)cc1 ZINC000103693865 JF Annotated Anodyne COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000103738678 JF Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000103738682 JF Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000103740452 JF Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000103740456 JF Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000103740459 JF Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000103740463 JF Annotated Mild O=c1nc(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc2n(Cc3ccccc3)[nH]nc1-2 ZINC000103743595 JF Annotated Anodyne O=c1nc(C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2n(Cc3ccccc3)[nH]nc1-2 ZINC000103743617 JF Annotated Anodyne O=c1nc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2n(Cc3ccccc3Cl)[nH]nc1-2 ZINC000103743653 JF Annotated Anodyne O=c1nc(C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2n(Cc3ccc(F)cc3)[nH]nc1-2 ZINC000103743678 JF Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)c5ccccc5F)CC4)nc2-3)cc1 ZINC000103743690 JF Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)Cc5ccccc5)CC4)nc2-3)cc1 ZINC000103743696 JF Annotated Anodyne O=c1nc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2n(Cc3cccc(Cl)c3)[nH]nc1-2 ZINC000103743731 JF Annotated Anodyne COc1cc([C@@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000103753196 JF Annotated Mild COc1cc([C@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000103753202 JF Annotated Mild CCN1C(=O)[C@@]2(/C(=C(\O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 ZINC000103790992 JF Annotated Mild CCN1C(=O)[C@]2(/C(=C(\O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 ZINC000103790997 JF Annotated Mild CO[C@]12C[C@@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1[C@@](C)(COC(C)=O)CCC[C@]13C ZINC000103884274 JF Annotated Anodyne CO[C@]12C[C@@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1[C@@](C)(COC(C)=O)CCC[C@@]31C ZINC000103884281 JF Annotated Anodyne CO[C@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1[C@@](C)(COC(C)=O)CCC[C@@]31C ZINC000103884286 JF Annotated Anodyne CO[C@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1[C@@](C)(COC(C)=O)CCC[C@@]31C ZINC000103884291 JF Annotated Anodyne CCn1cc([N+](=O)[O-])c(C(=O)N2N/C(=C3\C=CC(=O)C(OC)=C3)C[C@H]2c2ccccc2O)n1 ZINC000103917738 JF Annotated Mild CCn1cc([N+](=O)[O-])c(C(=O)N2N/C(=C3\C=CC(=O)C(OC)=C3)C[C@@H]2c2ccccc2O)n1 ZINC000103917744 JF Annotated Mild O=C(Cc1cccs1)N1CCC[C@H](c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)C1 ZINC000103942673 JF Annotated Anodyne O=C(Cc1cccs1)N1CCC[C@@H](c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)C1 ZINC000103942677 JF Annotated Anodyne CN(C)c1ccc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)cc1 ZINC000103947895 JF Annotated Anodyne O=C(NC1CCCCC1)[C@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@]21O3 ZINC000103953721 JF Annotated Anodyne COc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000103974252 JF Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000103974255 JF Annotated Mild COc1ccc(N2CCN(C(=O)CSc3nc4nncc-4c(O)n3-c3ccccc3)CC2)cc1 ZINC000103976122 JF Annotated Clean O=C(CSc1nc2nncc-2c(O)n1-c1cccc2ccccc12)N[C@@H]1CCCCNC1=O ZINC000103976190 JF Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1cccc2ccccc12)N[C@H]1CCCCNC1=O ZINC000103976194 JF Annotated Anodyne COc1ccccc1-n1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2nncc-2c1O ZINC000103976337 JF Annotated Anodyne Cc1cc(N)nn1C(=O)CSc1nc2nncc-2c(O)n1-c1ccc(Br)cc1 ZINC000103976813 JF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(S(=O)(=O)Cc5ccccc5)C4)nc2-3)c1 ZINC000103984139 JF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(S(=O)(=O)Cc5ccccc5)C4)nc2-3)c1 ZINC000103984143 JF Annotated Anodyne COc1ccc(C(=O)CSC2=NN/C(=C3\C=c4ccccc4=CC3=O)N2Cc2ccco2)cc1 ZINC000103990192 JF Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000103993444 JF Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000103993449 JF Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000103993452 JF Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000103993457 JF Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000104001082 JF Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000104001088 JF Annotated Mild O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccs2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000104007349 JF Annotated Mild O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccs2)/C1=C(/O)c1ccc2c(c1)OCO2 ZINC000104007352 JF Annotated Mild COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NCc4cccnc4)C3=N2)cc1OC ZINC000104007914 JF Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NCc4cccnc4)C3=N2)cc1OC ZINC000104007920 JF Annotated Anodyne COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NCc4cccnc4)C3=N2)cc1OC ZINC000104007925 JF Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NCc4cccnc4)C3=N2)cc1OC ZINC000104007929 JF Annotated Anodyne CC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@@H]2CCCO2)cc1 ZINC000104008619 JF Annotated Mild CC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@H]2CCCO2)cc1 ZINC000104008625 JF Annotated Mild CCC(=O)Nc1ccc(NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@@H]2CCCO2)cc1 ZINC000104008629 JF Annotated Mild CCC(=O)Nc1ccc(NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C[C@H]2CCCO2)cc1 ZINC000104008634 JF Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000104009303 JF Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000104009308 JF Annotated Mild CCN1/C(=C2\C=C(Br)C=C(OC)C2=O)Nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000104012344 JF Annotated Mild CCC1=C/C(=C2\NNC(C)=C2c2nc3ccccc3n2C)C(=O)C(CN2CCN(C)CC2)=C1O ZINC000104012563 JF Annotated Mild O=C(C1=CNN2C1=N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCN(C(=O)c2ccco2)CC1 ZINC000104013408 JF Annotated Anodyne O=C(C1=CNN2C1=N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCN(C(=O)c2ccco2)CC1 ZINC000104013414 JF Annotated Anodyne O=C(C1=CNN2C1=N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCN(C(=O)c2ccco2)CC1 ZINC000104013419 JF Annotated Anodyne O=C(C1=CNN2C1=N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCN(C(=O)c2ccco2)CC1 ZINC000104013426 JF Annotated Anodyne CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)c1C ZINC000104014120 JF Annotated Mild CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c1C ZINC000104014126 JF Annotated Mild CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)[C@H]2c2ccccc2)cc1 ZINC000104028286 JF Annotated Mild CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)[C@@H]2c2ccccc2)cc1 ZINC000104028293 JF Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000104028435 JF Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000104028443 JF Annotated Mild Cc1nn(-c2ccccc2)c(O)c1[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 ZINC000104098645 JF Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 ZINC000104098649 JF Annotated Anodyne O=c1nc2n(c(O)c1C(c1ccc(F)cc1)c1c(O)n3c(nc1=O)SCCC3)CCCS2 ZINC000104142410 JF Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)nc2-3)cc1 ZINC000104179493 JF Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)nc2-3)cc1 ZINC000104179496 JF Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(S(=O)(=O)c5ccccc5F)C4)nc2-3)cc1 ZINC000104179549 JF Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(S(=O)(=O)c5ccccc5F)C4)nc2-3)cc1 ZINC000104179554 JF Annotated Anodyne O=c1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2n(Cc3cccc(Cl)c3)[nH]nc1-2 ZINC000104179592 JF Annotated Anodyne O=c1nc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2n(Cc3cccc(Cl)c3)[nH]nc1-2 ZINC000104179596 JF Annotated Anodyne O=c1nc([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nc2n(Cc3cccc(Cl)c3)[nH]nc1-2 ZINC000104179626 JF Annotated Anodyne O=c1nc([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nc2n(Cc3cccc(Cl)c3)[nH]nc1-2 ZINC000104179629 JF Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(O)c(OC)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000104182452 JF Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N\Cc1ccccc1 ZINC000104188688 JF Annotated Mild CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N\C1CCCCC1 ZINC000104188713 JF Annotated Mild Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc4n(Cc5ccc(F)cc5)[nH]nc-4c(=O)n3)CC2)c1 ZINC000104192635 JF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000104213975 JF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000104213979 JF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000104213982 JF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000104213986 JF Annotated Anodyne CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)CC1 ZINC000104215665 JF Annotated Anodyne CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccsc2)CC1 ZINC000104215671 JF Annotated Anodyne CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)CC1 ZINC000104215678 JF Annotated Anodyne CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccsc2)CC1 ZINC000104215682 JF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCN(C)CC2)c1 ZINC000104215740 JF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCN(C)CC2)c1 ZINC000104215743 JF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCN(C)CC2)c1 ZINC000104215746 JF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCN(C)CC2)c1 ZINC000104215750 JF Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000104330763 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000104330768 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000104330773 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000104330779 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000104343244 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000104343249 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000104343257 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000104343263 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000104346490 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000104346495 JF Annotated Mild CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@@H]2O[C@@H]3C[C@@H](C)O[C@H]3[C@@H]2O)C(=O)N1C ZINC000104353050 JF Annotated Mild in-man CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@@H]2O[C@@H]3C[C@H](C)O[C@H]3[C@@H]2O)C(=O)N1C ZINC000104353053 JF Annotated Mild in-man CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@@H]2O[C@H]3C[C@@H](C)O[C@H]3[C@@H]2O)C(=O)N1C ZINC000104353057 JF Annotated Mild in-man CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@@H]2O[C@H]3C[C@H](C)O[C@H]3[C@@H]2O)C(=O)N1C ZINC000104353061 JF Annotated Mild in-man CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000104360778 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000104360783 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000104367335 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000104367340 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000104372410 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000104372415 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000104374591 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000104374594 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000104374599 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000104374604 JF Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000104377501 JF Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000104377505 JF Annotated Mild C=C(C)C1=C[C@@]23O[C@@]4(C(=O)C=C(OC)C(=O)[C@H]14)[C@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000104380706 JF Annotated Mild in-man C=C(C)C1=C[C@@]23O[C@@]4(C(=O)C=C(OC)C(=O)[C@H]14)[C@@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000104380713 JF Annotated Mild in-man CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104390979 JF Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104390981 JF Annotated Anodyne Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCC(C)C)[C@@H](C(=O)NCc4ccccc4)[C@]34C=C[C@]2(C)O4)no1 ZINC000104403834 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000104428769 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N)OCC ZINC000104570728 JF Annotated Mild CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N)OCC ZINC000104570733 JF Annotated Mild CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCO)OCC ZINC000104592797 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCO)OCC ZINC000104592802 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCO)OCC ZINC000104592805 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCO)OCC ZINC000104592809 JF Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000104635005 JF Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000104635008 JF Annotated Anodyne Cc1ccc(S(=O)(=O)/N=c2\cc(Cl)c3ncn4c3n2C[C@H]2O[C@@H]4[C@@H]3OC(C)(C)O[C@H]23)cc1 ZINC000105358795 JF Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c2c1C[C@@H]1C(=O)[C@]3(CCc4ccccc43)C(=O)[C@H]1C2 ZINC000105477298 JF Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c2c1C[C@@H]1C(=O)[C@]3(CCc4ccccc43)C(=O)[C@@H]1C2 ZINC000105477303 JF Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@@H]2CS[S@](=O)C[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000105478317 JF Annotated Reactive CC1(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C/C(=O)C(C)(C)C(=O)/C=C\C1=O ZINC000105479933 JF Annotated Mild CC1(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C/C(=O)C(C)(C)C(=O)/C=C/C(=O)C(C)(C)C(=O)/C=C\C1=O ZINC000105479937 JF Annotated Mild OC[C@H](O)[C@@H](O)[C@H](O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000105488988 JF Annotated Anodyne OC[C@H](O)[C@H](O)[C@H](O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000105488992 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000105527303 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000105527308 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000105527313 JF Annotated Anodyne N#Cc1c2c(c(-c3cccs3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c1=S)CCc1ccccc1-2 ZINC000105530708 JF Annotated Mild O=C1C(=O)N(CN2CCOCC2)[C@@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000105923616 JF Annotated Anodyne O=C1C(=O)N(CN2CCOCC2)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000105923619 JF Annotated Anodyne O=C1C(=O)N(CN2CCOCC2)[C@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000105923622 JF Annotated Anodyne O=C1C(=O)N(CN2CCOCC2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000105923625 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000106983206 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000106983210 JF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000110505403 JF Annotated Anodyne C=c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)/c1=C/c1cc(Br)ccc1OCC(=O)O ZINC000110919910 JF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc(F)c2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000110942047 JF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc(F)c2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000110942051 JF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc(F)c2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000110942056 JF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc(F)c2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000110942059 JF Annotated Anodyne NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)nc2c1[nH]c1cc(N3CCOCC3=O)ccc12 ZINC000113203041 JF Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2n1 ZINC000113208523 JF Annotated Anodyne O=C(c1ccnc(-c2cncc3ccccc23)c1)c1nc2ccc(S(=O)(=O)N3CCNCC3)cc2[nH]1 ZINC000113256063 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)[C@@H]5CCOC(C)(C)C5)C4)c3C2)cc1C ZINC000113567043 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)[C@H]5CCOC(C)(C)C5)C4)c3C2)cc1C ZINC000113567046 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)[C@@H]5CCOC(C)(C)C5)C4)c3C2)cc1C ZINC000113567433 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)[C@H]5CCOC(C)(C)C5)C4)c3C2)cc1C ZINC000113567437 JF Annotated Anodyne CCC(=O)N1CC[C@H](Oc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1 ZINC000113567973 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C ZINC000113568056 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1Cl ZINC000113568619 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cocn5)C4)c3C2)cc1C(F)(F)F ZINC000113569099 JF Annotated Anodyne O=C(C1CCOCC1)N1CC[C@H](Nc2ncnc3c2CN(c2cncc(C(F)(F)F)c2)CC3)C1 ZINC000113569297 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1Cl ZINC000113569784 JF Annotated Anodyne COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)[C@@H]5CCOC(C)(C)C5)C4)c3C2)cnc1OC ZINC000113571332 JF Annotated Anodyne COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)[C@H]5CCOC(C)(C)C5)C4)c3C2)cnc1OC ZINC000113571335 JF Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(-n2cncn2)cc1 ZINC000113590554 JF Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(-n2cncn2)cc1 ZINC000113590556 JF Annotated Anodyne CC(C)(C)CS(=O)(=O)N1CC[C@@]2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)[C@@H](O)C1 ZINC000113638002 JF Annotated Anodyne CC(C)(C)CS(=O)(=O)N1CC[C@]2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)[C@@H](O)C1 ZINC000113638005 JF Annotated Anodyne C[C@@]1(c2cc(Br)cc(NC(=O)c3ncc(Br)cn3)c2)COCC(N)=N1 ZINC000113657512 JF Annotated Anodyne NC1=N[C@](c2cc(NC(=O)c3ncc(Br)cc3O)c(F)cc2F)(C(F)F)COC1 ZINC000113661630 JF Annotated Anodyne NC1=N[C@@](c2cc(NC(=O)c3ncc(Br)cc3O)c(F)cc2F)(C(F)F)COC1 ZINC000113661633 JF Annotated Anodyne [C-]#[N+]c1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cscn5)C4)c3C2)cnc1OC ZINC000113749700 JF Annotated Anodyne O=C(C1CCOCC1)N1CC[C@H](Oc2ncnc3c2CN(c2cnc4ccccc4c2)CC3)C1 ZINC000113753704 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)c5cnco5)C4)c3C2)cc1C(F)(F)F ZINC000113753822 JF Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnco5)C4)c3C2)cc1C(F)(F)F ZINC000113754190 JF Annotated Anodyne COCCCCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(CC4CC4)c23)CC1 ZINC000113902435 JF Annotated Anodyne COCCOc1ccc(OC)c(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1 ZINC000114004483 JF Annotated Anodyne COCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4cc(C)nc(C)n4)n[nH]c3C2(C)C)C[C@H]1C ZINC000114179315 JF Annotated Anodyne C[C@H]1CN(C2CCOCC2)[C@H](C)CN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cn3)n[nH]c2C1(C)C ZINC000114180976 JF Annotated Anodyne Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)nc(Cl)n1 ZINC000114181041 JF Annotated Anodyne Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)on1 ZINC000114181073 JF Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cnc4ccccc4n3)n[nH]c2C1(C)C ZINC000114181488 JF Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C4CC4)on3)n[nH]c2C1(C)C ZINC000114181608 JF Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc4c(c3)CCO4)n[nH]c2C1(C)C ZINC000114182330 JF Annotated Anodyne COCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4ocnc4C)n[nH]c3C2(C)C)C[C@H]1C ZINC000114182556 JF Annotated Anodyne CCc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)nc1 ZINC000114183222 JF Annotated Anodyne C[C@H]1CN2CCC[C@@]2(C)CN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cn3)n[nH]c2C1(C)C ZINC000114183324 JF Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc4cnccc4n3)n[nH]c2C1(C)C ZINC000114184338 JF Annotated Anodyne Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)no1 ZINC000114184444 JF Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C4CC4)n[nH]3)n[nH]c2C1(C)C ZINC000114190823 JF Annotated Anodyne O=C1CN(C(=O)N2C[C@@H](NC(=O)c3ccccc3)C[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCN1 ZINC000114341437 JF Annotated Anodyne O=C1CN(C(=O)N2C[C@@H](NC(=O)c3ccccc3)C[C@H](c3ccc(C(F)(F)F)cc3)C2)CCN1 ZINC000114341439 JF Annotated Anodyne O=C1CN(C(=O)N2C[C@H](c3ccc(C(F)(F)F)cc3)C[C@@H](NC(=O)c3ccccc3)C2)CCN1 ZINC000114341440 JF Annotated Anodyne O=C1CN(C(=O)N2C[C@H](NC(=O)c3ccccc3)C[C@H](c3ccc(C(F)(F)F)cc3)C2)CCN1 ZINC000114341442 JF Annotated Anodyne NC(=O)CN(CCN1CCNC1=O)Cc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000114592477 JF Annotated Anodyne COc1c(Br)cc(/C=C2\O[C@@H]([C@@H](Cl)CCNC(=N)N)NC2=O)cc1Br ZINC000114630098 JF Annotated Reactive CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C#N)cn1 ZINC000114683222 JF Annotated Mild CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(F)cn1 ZINC000114683944 JF Annotated Anodyne Cc1cnc(NC(=O)[C@H](COC2CCC2)Oc2ncnc3c2cnn3-c2ncccc2Cl)cn1 ZINC000114685132 JF Annotated Anodyne CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C)cn1 ZINC000114685583 JF Annotated Anodyne CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C#N)cn1 ZINC000114686252 JF Annotated Mild O=C(Nc1ccc(F)cn1)[C@H](COCCO)Oc1ncnc2c1cnn2-c1c(F)cccc1Cl ZINC000114686315 JF Annotated Anodyne NC(=O)[C@H](CO)Nc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114709373 JF Annotated Anodyne O=C(NC[C@H](O)CO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114709461 JF Annotated Anodyne O=C(NC[C@@H](O)CO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114709463 JF Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCN(S(=O)(=O)N(C)C)CC3)cc12 ZINC000114710251 JF Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCN(C)C(=O)C4)CC3)cc12 ZINC000114711472 JF Annotated Anodyne CCN1CCN([C@@H]2CC[C@@H](NC(=O)c3cc4c(C)nn(C5CCOCC5)c4s3)CC2)CC1=O ZINC000114712815 JF Annotated Anodyne CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3cc4c(C)nn(C5CCOCC5)c4s3)CC2)CC1 ZINC000114713336 JF Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCN(C)CC4=O)CC3)cc12 ZINC000114724125 JF Annotated Anodyne O=c1c(NC[C@@H](O)CO)nc2ccccc2n1C1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000114764968 JF Annotated Anodyne CC1(C)OC[C@@H](COc2cc(F)cc([C@H]3CCCN3c3ccn4ncc(C(N)=O)c4n3)c2)O1 ZINC000114895616 JF Annotated Anodyne CC1(C)OC[C@H](COc2cc(F)cc([C@H]3CCCN3c3ccn4ncc(C(N)=O)c4n3)c2)O1 ZINC000114895618 JF Annotated Anodyne NCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114977482 JF Annotated Anodyne NCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114977484 JF Annotated Anodyne O=S(=O)(CCO)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114979192 JF Annotated Anodyne O=S(=O)(CCO)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114979194 JF Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)C1CNC1 ZINC000114981236 JF Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)C1CNC1 ZINC000114981237 JF Annotated Anodyne O=C(/C=C/c1cccnc1)NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000011524779 JF Annotated Anodyne O=C(/C=C/c1ccc(F)cc1)NC[C@H]1CN(c2ccc(N3CCS(=O)CC3)c(F)c2)C(=O)O1 ZINC000011524801 JF Annotated Anodyne COc1ccc(/C=C/C(=O)NC[C@H]2CN(c3ccc(N4CCS(=O)CC4)c(F)c3)C(=O)O2)cc1 ZINC000011524807 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4c(F)c(F)nc(F)c4F)CC3)c(F)c2)C(=O)O1 ZINC000011525352 JF Annotated Anodyne N#Cc1ccc(-c2ccc(OC[C@@H](CCn3nnc4ccccc4c3=O)C(=O)NO)cc2)cc1 ZINC000011688598 JF Annotated Mild COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(C(=O)c1cn3ccc(C)cc3n1)CC2 ZINC000011789745 JF Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(C(=O)c1cn3ccc(C)cc3n1)CC2 ZINC000011789746 JF Annotated Anodyne COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)c1ccccc1F)CC2 ZINC000011965989 JF Annotated Anodyne COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(OC)nc2OC)CCO3)C1 ZINC000011975675 JF Annotated Anodyne COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(OC)nc2OC)CCO3)C1 ZINC000011975682 JF Annotated Anodyne Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000011995257 JF Annotated Anodyne Cc1cnc(SC[C@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000011995258 JF Annotated Anodyne Cc1cnc(SC[C@@H]2CCCO2)nc1[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000011995259 JF Annotated Anodyne Cc1cnc(SC[C@H]2CCCO2)nc1[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000011995260 JF Annotated Anodyne O=C(N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)[C@H]1O)c1cccnc1 ZINC000011995383 JF Annotated Anodyne CC(=O)N1CCC[C@H]1C(=O)N1CCc2c(cnc(C)c2CNC(=O)/C=C/c2cccs2)C1 ZINC000011995384 JF Annotated Anodyne CCOc1nn2c(N)n[n+](CC(=O)c3cc(OCCCO)c(OC)c(C(C)(C)C)c3)c2cc1CC ZINC000115446175 JF Annotated Mild NC(=O)c1ncc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)nc1NCC1CCOCC1 ZINC000115457210 JF Annotated Anodyne C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@H]1C(=O)NC(=O)[C@@H]1C)C(C)C)c1ccccc1 ZINC000115618290 JF Annotated Anodyne CC(C)Nc1nc(-c2ccc(NCCN3CCCC3)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115621861 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCc4ccc(C(=O)O)cc4C3)c2c1=O ZINC000115622429 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(C4CCNCC4)cc3)nc(NCCOC(=O)C(F)(F)F)c2c1=O ZINC000115622492 JF Annotated Anodyne CC(C)Nc1nc(-c2ccc(S(=O)(=O)CCN3CCCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624336 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCc4c(cccc4C(=O)O)C3)c2c1=O ZINC000115624439 JF Annotated Anodyne CCOC(=O)CCC(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 ZINC000115624499 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCc3cccc(S(C)(=O)=O)c3)c2c1=O ZINC000115624665 JF Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CCO[C@@H](CO)C4)n3)cc2C)CC1 ZINC000115624719 JF Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CCO[C@H](CO)C4)n3)cc2C)CC1 ZINC000115624722 JF Annotated Anodyne CN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)cc2F)CC1 ZINC000115624872 JF Annotated Anodyne CC(C)Nc1nc(-c2ccc(NC3CCN(C)CC3)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115625246 JF Annotated Anodyne COC(=O)c1cccc2c1CCN(c1nc(-c3ccc(C(C)(C)O)nc3)cc3ncn(C)c(=O)c13)C2 ZINC000115625281 JF Annotated Anodyne CCC(=O)[C@@H]1CCN(c2nc(-c3ccc(N4CCN(C)CC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000115625339 JF Annotated Anodyne CCC(=O)[C@H]1CCN(c2nc(-c3ccc(N4CCN(C)CC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000115625341 JF Annotated Anodyne CCOC(=O)c1ccnc(Nc2nc(-c3ccc(C(C)(C)O)nc3)cc3ncn(C)c(=O)c23)c1 ZINC000115625358 JF Annotated Anodyne CSC[C@H]1CCN(c2nc(-c3ccc(N4CCN(C)CC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000115625627 JF Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCCC[C@H]4CO)n3)cc2)CC1 ZINC000115625714 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3cccc(S(C)(=O)=O)c3)c2c1=O ZINC000115625775 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(Nc3nc(CCO)cs3)c2c1=O ZINC000115625912 JF Annotated Anodyne CC(C)Nc1nc(-c2ccc(N(C)C3CCN(C)CC3)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115626287 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3cccc(-c4nn[nH]n4)c3)c2c1=O ZINC000115626333 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCC(N5CCCC5)CC4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115626846 JF Annotated Anodyne O=C(C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1)N1CCOCC1 ZINC000115713813 JF Annotated Anodyne Cc1cn(-c2nc(Nc3cc(C)c(OS(C)(=O)=O)c(C)c3)ncc2F)cc1CN1CC[C@@H](O)C1 ZINC000115870838 JF Annotated Anodyne in-vitro CC(C)(C)Cc1nc2cc(S(=O)(=O)C3CN(C(N)=O)C3)ccc2n1CCOC(F)(F)F ZINC000115889004 JF Annotated Anodyne COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2C[C@@H]2C)n1 ZINC000115984073 JF Annotated Anodyne COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)nc(N2C[C@@H]2C)n1 ZINC000115984077 JF Annotated Anodyne COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)nc(N2C[C@@H]2C)n1 ZINC000115984079 JF Annotated Anodyne CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)[C@](CCNS(C)(=O)=O)(c2ccccc2)S1 ZINC000116213755 JF Annotated Anodyne CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)[C@@](CCNS(C)(=O)=O)(c2ccccc2)S1 ZINC000116213757 JF Annotated Anodyne COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3/C(=N/OC[C@H]3COCCO3)N2)n1 ZINC000116437619 JF Annotated Mild CNC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000116817242 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cn3)nc2n1C1CCCC1 ZINC000117729374 JF Annotated Anodyne CCc1nn(Cc2cccc(OC[C@@H](O)CO)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117886305 JF Annotated Anodyne CCc1nn(Cc2cccc(OC[C@H](O)CO)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117886308 JF Annotated Anodyne CCc1nn(Cc2ccn(CCN3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117894479 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5CC[C@H](C4)N5)cn3)nc2n1C1CCC1 ZINC000118582714 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5CC[C@H](C4)N5)cn3)nc2n1C1CCCC1 ZINC000118582875 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@@]5(N)C4)cn3)nc2n1C1CCCC1 ZINC000118584950 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5C[C@@]5(N)C4)cn3)nc2n1C1CCCC1 ZINC000118584952 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@]5(N)C4)cn3)nc2n1C1CCCC1 ZINC000118584954 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5C[C@]5(N)C4)cn3)nc2n1C1CCCC1 ZINC000118584956 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5CN[C@@H](C5)C4)cn3)nc2n1C1CCCC1 ZINC000118586371 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5)nn3)nc2n1C1CCCC1 ZINC000118586499 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5)cn3)nc2n1C1CCC1 ZINC000118586823 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@H](CC4=O)N5)cn3)nc2n1C1CCC1 ZINC000118587813 JF Annotated Anodyne CNC(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5CC[C@H](C4)N5)cn3)nc2n1C1CCCC1 ZINC000118589495 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5CC[C@H](C4)N5)cn3)nc2n1C(C)(C)C ZINC000118589555 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5C[C@H]4CN5)cn3)nc2n1C1CCCCC1 ZINC000118589591 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5)cn3)nc2n1C1CCCC1 ZINC000118589686 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CNC[C@H]5CC4=O)cn3)nc2n1C1CCCC1 ZINC000118591100 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CNC[C@@H]5C4=O)cn3)nc2n1C1CCCC1 ZINC000118591817 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5C[C@@H]4CN5)cn3)nc2n1C1CCCC1 ZINC000118592612 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H](CN5)C4)cn3)nc2n1C1CCCC1 ZINC000118593770 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CN[C@H](C5)C4)cn3)nc2n1C1CCCC1 ZINC000118593774 JF Annotated Anodyne CCCc1cnc(N2CCC(Oc3cc(=O)n(-c4ccc(S(C)(=O)=O)cc4)cc3C#N)CC2)nc1 ZINC000118659116 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CNC[C@H]5C4=O)cn3)nc2n1C1CCCC1 ZINC000118726891 JF Annotated Anodyne CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12 ZINC000118819453 JF Annotated Anodyne CCNC(=O)[C@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12 ZINC000118819456 JF Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3O[C@@H](C)CCN)c12 ZINC000118823081 JF Annotated Anodyne Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3O[C@H](C)CCN)c12 ZINC000118823083 JF Annotated Anodyne C[C@]12C[C@H]([C@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67C[C@H]6O[C@H]6C(=O)[C@]7(C)[C@H]5CC[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O ZINC000118921506 JF Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@@]23O)[C@@]2(C)CC[C@@H](O)C=C12 ZINC000118930139 JF Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@@]23O)[C@@]2(C)CC[C@@H](O)C=C12 ZINC000118930140 JF Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@H](c4ccc(=O)oc4)CC[C@@]23O)[C@@]2(C)CC[C@@H](O)C=C12 ZINC000118930141 JF Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@H](c4ccc(=O)oc4)CC[C@@]23O)[C@@]2(C)CC[C@@H](O)C=C12 ZINC000118930142 JF Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000118930286 JF Annotated Mild CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000118930287 JF Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000118934026 JF Annotated Reactive C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1 ZINC000118937030 JF Annotated Mild in-man endogenous C[C@@](O)([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000118937031 JF Annotated Mild in-man endogenous C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1 ZINC000118937032 JF Annotated Mild in-man endogenous C[C@@](O)([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000118937033 JF Annotated Mild in-man endogenous C[C@@H]1C[C@H]([C@@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000118937054 JF Annotated Mild in-man endogenous C[C@H]1C[C@H]([C@@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000118937055 JF Annotated Mild in-man endogenous C[C@@H]1C[C@@H]([C@@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000118937056 JF Annotated Mild in-man endogenous C[C@H]1C[C@@H]([C@@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000118937057 JF Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000118937435 JF Annotated Anodyne in-man endogenous CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000118937436 JF Annotated Anodyne in-man endogenous CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000118937437 JF Annotated Anodyne in-man endogenous CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000118937438 JF Annotated Anodyne in-man endogenous CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118937447 JF Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118937448 JF Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118937449 JF Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000118937450 JF Annotated Mild in-man endogenous CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000118939624 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000118939625 JF Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@](C)(O)[C@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1 ZINC000119262198 JF Annotated Mild in-man C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1 ZINC000119262288 JF Annotated Mild in-man C[C@@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119264728 JF Annotated Mild in-man C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119264862 JF Annotated Mild in-man C[C@@H]1C[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119265003 JF Annotated Mild in-man C[C@H]1C[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)OC(=O)[C@@H]1C ZINC000119265146 JF Annotated Mild in-man CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000119310338 JF Annotated Anodyne in-man CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000119310409 JF Annotated Anodyne in-man CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000119310515 JF Annotated Anodyne in-man CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000119310650 JF Annotated Anodyne in-man CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000119311364 JF Annotated Mild in-man CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000119311499 JF Annotated Mild in-man CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000119311606 JF Annotated Mild in-man CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000119311688 JF Annotated Mild in-man CN1N=C(C(=O)N2CCOc3ccc(CN4CCC[C@@H](C(=O)c5cccnc5)C4)cc3C2)CCC1=O ZINC000012023811 JF Annotated Anodyne CN1N=C(C(=O)N2CCOc3ccc(CN4CCC[C@H](C(=O)c5cccnc5)C4)cc3C2)CCC1=O ZINC000012023822 JF Annotated Anodyne COc1ccccc1CCNc1ncnc2sc(C(=O)N3CCCN(C=O)CC3)c(C)c12 ZINC000012029151 JF Annotated Anodyne COc1ccc2ccccc2c1CN1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012031809 JF Annotated Anodyne COc1ccc2ccccc2c1CN1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012031811 JF Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)COc2ccc(C)cc2)CC3)CC1 ZINC000012034318 JF Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(C(=O)COc2ccc(C)cc2)CC3)CC1 ZINC000012034320 JF Annotated Anodyne CCn1nc(C)cc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1cccnc1)[C@@H]2O ZINC000012079987 JF Annotated Anodyne O=C(c1ccnc(-n2cnnn2)c1)N1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 ZINC000012080130 JF Annotated Anodyne O=C(c1ccnc(-n2cnnn2)c1)N1CCOc2ccc([C@H](O)CCc3ccccc3)cc2C1 ZINC000012080131 JF Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C[C@@H]2[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(Cl)cc3)[C@H]12 ZINC000012080404 JF Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccc(Cl)cc5)[C@H]34)[C@@H]2C1=O ZINC000012080405 JF Annotated Anodyne O=C(O)CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C[C@@H]2[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccccc3)[C@H]12 ZINC000012080406 JF Annotated Anodyne O=C(O)CCCN1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000012080407 JF Annotated Anodyne Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]54)[C@@H]23)cc1 ZINC000012080418 JF Annotated Anodyne Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N([C@@H](C)C(=O)O)C(=O)[C@@H]54)[C@@H]23)cc1 ZINC000012080419 JF Annotated Anodyne Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C)C(=O)O)C(=O)[C@@H]23)cc1 ZINC000012080420 JF Annotated Anodyne Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C)C(=O)O)C(=O)[C@@H]23)cc1 ZINC000012080421 JF Annotated Anodyne Cn1c(-c2ccncc2)nc2cc(C(=O)N[C@H]3CCCCNC3=O)cc(NC(=O)C3CCC3)c21 ZINC000012124599 JF Annotated Anodyne Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1[nH]c3ccc(Cl)cc3c1C)C2 ZINC000012127034 JF Annotated Anodyne COc1ccc(-c2ccc(C(=O)N3CCc4c(cnc(C)c4CNS(=O)(=O)N(C)C)C3)o2)cc1 ZINC000012133195 JF Annotated Anodyne Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCC(C)C)[C@@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@]2(C)O4)no1 ZINC000012467002 JF Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000012469682 JF Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@]23C=C[C@H]1O3 ZINC000012469686 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)c1 ZINC000012469718 JF Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)c1 ZINC000012469722 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000012469733 JF Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000012469735 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000012470008 JF Annotated Anodyne O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000012475132 JF Annotated Reactive COC(=O)[C@@H]1C[C@@]2(Br)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1C(=O)OC ZINC000012477677 JF Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000012480088 JF Annotated Anodyne O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)[nH]1)Nc1nccs1 ZINC000012484034 JF Annotated Anodyne COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)c(OC)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497411 JF Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000012565162 JF Annotated Anodyne NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703356 JF Annotated Anodyne NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703362 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Br)cc1)N1C(=O)c3ccccc3NC(=O)[C@@H]21 ZINC000012726467 JF Annotated Anodyne CCOc1ccc(/C=C(\C(=O)O)c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OC ZINC000012727833 JF Annotated Anodyne O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012729528 JF Annotated Mild CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO ZINC000013118555 JF Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO ZINC000013118602 JF Annotated Anodyne O=C(C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013118607 JF Annotated Anodyne O=C(C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013118627 JF Annotated Anodyne COc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CCCO)cc1 ZINC000013118925 JF Annotated Anodyne COc1ccc(/C=C/C(=O)/C(C#N)=C2\NN=C(N3CCOCC3)N2c2ccccc2)cc1OC ZINC000013119131 JF Annotated Reactive CCN(CC)C1=CC(=O)/C(=C/NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C=C1 ZINC000013122053 JF Annotated Reactive O=C1C([N+](=O)[O-])=CC(Cl)=C/C1=C\NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000013122213 JF Annotated Reactive COC1=C/C(=C/NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)C=CC1=O ZINC000013123060 JF Annotated Reactive O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNc1nnnn1-c1cccc2ccccc12 ZINC000013124178 JF Annotated Mild O=C(NN/C=C1\C=C(Br)C=CC1=O)C(=O)Nc1ccccc1OC(F)(F)C(F)F ZINC000013124973 JF Annotated Reactive C=CCn1c(COc2ccccc2)nnc1SCC(=O)NN/C=C1\C=C(Cl)C=CC1=O ZINC000013125968 JF Annotated Reactive CC(=O)Nc1ccc(C(=O)NN/C=C2\C=C(Br)C=C(Br)C2=O)cc1 ZINC000013126039 JF Annotated Reactive COC1=C/C(=C\NNC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)C=CC1=O ZINC000013126195 JF Annotated Reactive COC1=CC(=CNNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)C=C(OC)C1=O ZINC000013130535 JF Annotated Reactive C/C(=N\NC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C)c1sc(N)nc1C ZINC000013133313 JF Annotated Reactive Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CSc1ccc(Cl)cc1 ZINC000013133506 JF Annotated Anodyne aggregator COc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1OC ZINC000013138863 JF Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1OC ZINC000013138864 JF Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N(C)C4CCCCC4)c(=O)c3c2)CC1 ZINC000013139141 JF Annotated Anodyne Cn1c(=O)c2c([nH]c(OCc3ccc(Cl)cc3Cl)[n+]2Cc2ccc(F)cc2)n(C)c1=O ZINC000013143825 JF Annotated Anodyne COc1cccc([C@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O ZINC000013147362 JF Annotated Clean COc1cccc([C@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O ZINC000013147363 JF Annotated Clean COc1ccc(O)c([C@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1 ZINC000013147416 JF Annotated Clean COc1ccc(O)c([C@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1 ZINC000013147417 JF Annotated Clean CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151049 JF Annotated Anodyne CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151050 JF Annotated Anodyne CCC[C@H](C(=O)NCc1ccco1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151052 JF Annotated Anodyne CCC[C@@H](C(=O)NCc1ccco1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151053 JF Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cc(Br)ccc1OC ZINC000013153511 JF Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cc(Br)ccc1OC ZINC000013153513 JF Annotated Anodyne COC(=O)Cc1c(C(=O)CC(C)(C)n2cnc(CCN3C(=O)CCC3=O)c2)[nH]c2ccccc12 ZINC000013219775 JF Annotated Anodyne OC/C=C/c1ccc2c(c1)O[C@@H](c1ccc3c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O3)[C@H](CO)O2 ZINC000013312752 JF Annotated Clean in-vitro biogenic COC(=O)C[C@@H](c1ccc(O)c(O)c1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 ZINC000013341339 JF Annotated Clean COC(=O)C[C@H](c1ccc(O)c(O)c1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 ZINC000013341341 JF Annotated Clean COc1c2c(c(O)c3c1[C@@H](O)Cc1cc4c(c(O)c1-3)C(=O)O[C@@H](C)C4)C(=O)c1cccc(O)c1C2=O ZINC000013370011 JF Annotated Clean C=C(C)C1=C[C@]23O[C@@]4(C(=O)C=C(OC)C(=O)[C@H]14)[C@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000013373226 JF Annotated Mild in-man C=C(C)C1=C[C@]23O[C@@]4(C(=O)C=C(OC)C(=O)[C@H]14)[C@@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000013373227 JF Annotated Mild in-man CC[C@@H](C)[C@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000013384302 JF Annotated Anodyne in-man CC[C@H](C)[C@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000013384303 JF Annotated Anodyne in-man O=C(O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccccc1 ZINC000013436074 JF Annotated Anodyne COc1ccc([C@H](CC(=O)O)NC(=O)CN2CC[C@H](CCc3ccc4c(n3)NCCC4)C2=O)cc1F ZINC000013436114 JF Annotated Anodyne N=C(N)c1csc(CNC(=O)CN2C(=O)c3ccccc3[C@@H](CC(=O)O)c3ccccc32)c1 ZINC000013437658 JF Annotated Anodyne N=C(N)c1csc(CNC(=O)CN2C(=O)c3ccccc3[C@H](CC(=O)O)c3ccccc32)c1 ZINC000013437661 JF Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3=O)ccc12 ZINC000013439845 JF Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4nc5cc(C(F)(F)F)ccc5[nH]4)CC3=O)ccc12 ZINC000013439847 JF Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Br)ccc5[nH]4)CC3=O)ccc12 ZINC000013439851 JF Annotated Anodyne O=C(N[C@H]1CSCCN(C/C=C/c2ccccc2)C1=O)c1ccc(OP(=O)(O)O)cc1 ZINC000013440997 JF Annotated Anodyne COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc3c(c1O)C(=O)O[C@@H]3O)CC2 ZINC000013441404 JF Annotated Clean COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc3c(c1O)C(=O)O[C@H]3O)CC2 ZINC000013441406 JF Annotated Clean Cc1ccc([C@@H](CC(=O)O)NC(=O)CNC(=O)c2ccc(NC(=O)NCc3ccccc3)o2)cc1 ZINC000013441563 JF Annotated Anodyne Cc1ccc([C@H](CC(=O)O)NC(=O)CNC(=O)c2ccc(NC(=O)NCc3ccccc3)o2)cc1 ZINC000013441565 JF Annotated Anodyne COc1cc([C@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2COC(C)=O)cc(OC)c1O ZINC000013461602 JF Annotated Anodyne C[C@H]1CCC[C@H](C(=O)O)N1C(=O)CCSSCCC(=O)N1[C@H](C(=O)O)CCC[C@H]1C ZINC000013468094 JF Annotated Reactive C[C@H]1CCC[C@@H](C(=O)O)N1C(=O)CCSSCCC(=O)N1[C@@H](C)CCC[C@@H]1C(=O)O ZINC000013468096 JF Annotated Reactive C[C@H]1CCC[C@H](C(=O)O)N1C(=O)CCSSCCC(=O)N1[C@@H](C)CCC[C@@H]1C(=O)O ZINC000013468100 JF Annotated Reactive COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](/N=C(\NC#N)Nc2ccc(Cl)cc2)[C@@H]1O ZINC000013470313 JF Annotated Mild COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](/N=C(\NC#N)Nc2cccc(Cl)c2)[C@@H]1O ZINC000013470314 JF Annotated Mild O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)NCCc2c[nH]cn2)cc1 ZINC000013470486 JF Annotated Anodyne Cc1ccnc(NCCCC(=O)NCC(=O)N[C@@H](CC(=O)O)c2cccc(OC(F)(F)F)c2)c1 ZINC000013472616 JF Annotated Anodyne Cc1ccnc(NCCCC(=O)NCC(=O)N[C@H](CC(=O)O)c2cccc(OC(F)(F)F)c2)c1 ZINC000013472617 JF Annotated Anodyne CCCCn1c(=O)c2nn(S(=O)(=O)c3cccc4cccnc34)cc2n(CCCC)c1=O ZINC000013473881 JF Annotated Anodyne CCCCn1c(=O)c2cn(S(=O)(=O)c3cccc4cccnc34)nc2n(CCCC)c1=O ZINC000013473888 JF Annotated Anodyne CCN(C1CCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@@H]1CCOC1CCN(C(=N)N)CC1 ZINC000013473953 JF Annotated Anodyne CN(C1CCCCC1)[C@@H](CCC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1 ZINC000013473960 JF Annotated Anodyne CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)CCc1ccc(C(=O)c3ccccc3)cc1)CCN2 ZINC000013474439 JF Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000013475046 JF Annotated Anodyne C=C(C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478785 JF Annotated Mild C=C(C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478787 JF Annotated Mild CCC(=O)N1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478798 JF Annotated Anodyne CCC(=O)N1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478800 JF Annotated Anodyne C/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478993 JF Annotated Anodyne C/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478995 JF Annotated Anodyne CN(C)c1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCC(CN)CC4)cccc2-3)cc1 ZINC000013492161 JF Annotated Anodyne CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1 ZINC000013492566 JF Annotated Anodyne CN(C[C@@H]1C[C@H]1c1ccccc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1 ZINC000013492575 JF Annotated Anodyne CN(C[C@@H]1C[C@@H]1c1ccccc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1 ZINC000013492576 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1nc2ccncc2[nH]1 ZINC000013493278 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2c(=O)[nH]ccc2[nH]1 ZINC000013493281 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2c[n+]([O-])ccc2[nH]1 ZINC000013493282 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ccc(Cl)nc3s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000013493288 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ncc(Cl)cc3s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000013493290 JF Annotated Anodyne COc1cc(/C=C/S(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)sc1Cl ZINC000013493292 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N(CC(N)=O)c1cc(C)cc(OCCNc2ccncc2)c1 ZINC000013494018 JF Annotated Anodyne CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@@H](CC[S@](C)=O)C(=O)O)cc2)cc1 ZINC000013512760 JF Annotated Clean C[C@H](C(=O)NO)N1CCNc2cc(OCc3cc(Cl)cc(Cl)c3)ccc2S1(=O)=O ZINC000013518136 JF Annotated Anodyne COc1cc(CNc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)cc(OC)c1 ZINC000013518174 JF Annotated Anodyne CCCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1 ZINC000013527858 JF Annotated Anodyne C[C@@H]1C(=O)N(C(=O)C2CC2)[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)Nc3cccc(Cl)c3)[C@H]12 ZINC000013527881 JF Annotated Anodyne Nc1ncnc2nc(-c3ccc(N4C[C@H](O)[C@H](O)C4)nc3)cc(-c3cccc(Br)c3)c12 ZINC000013538458 JF Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@](C)([C@@H](O)c2ccoc2)[C@@]12O[C@@H]2C(=O)O ZINC000013541683 JF Annotated Anodyne in-vitro C/C=C(\C)C(=O)NCCN1C2=NC[C@H](Cc3ccc(O)cc3)N2C[C@@H]1Cc1ccc(OC)cc1 ZINC000013545677 JF Annotated Anodyne O=C(Nc1ccccc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 ZINC000013553640 JF Annotated Bother O=C(Nc1ccccc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])ccc1=O ZINC000013553641 JF Annotated Bother O=C(Nc1ccccc1C(=O)O)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 ZINC000013553648 JF Annotated Bother O=C(NCc1ccccc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 ZINC000013553650 JF Annotated Bother C[N+](C)(C)CCC(=O)Nc1ccc(NC(=O)CC[N+](C)(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000013556235 JF Annotated Clean CN(C)CCc1c(C(=O)NCc2ccc(N)cc2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557190 JF Annotated Clean CN(C)CCc1c(C(=O)NCc2cccc(N)c2)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557197 JF Annotated Anodyne CN(C)CCc1c(C(=O)NCc2ccccc2N)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557200 JF Annotated Anodyne CN(C)CCc1c(C(=O)NCc2ccccc2O)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557205 JF Annotated Clean CCOc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1S(=O)(=O)NC(=S)NC ZINC000013558413 JF Annotated Anodyne CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1SC ZINC000013558420 JF Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)OCCCCC(=S)N[C@H](c1nc(CO)no1)CSC2 ZINC000013559816 JF Annotated Anodyne N=C(N)c1ccc(N2CC3(CCN(C(=O)C[C@@H](CC(=O)O)c4ccccc4)CC3)CC2=O)cc1 ZINC000013560394 JF Annotated Anodyne N=C(N)c1ccc(N2CC3(CCN(C(=O)C[C@H](CC(=O)O)c4ccccc4)CC3)CC2=O)cc1 ZINC000013560395 JF Annotated Anodyne CN1C(=O)N(c2ccc(C(=N)N)cc2)CC12CCN(C(=O)C[C@@H](CC(=O)O)c1ccccc1)CC2 ZINC000013560412 JF Annotated Anodyne CN1C(=O)N(c2ccc(C(=N)N)cc2)CC12CCN(C(=O)C[C@H](CC(=O)O)c1ccccc1)CC2 ZINC000013560413 JF Annotated Anodyne Cn1c(SCCN2CCCC2)nnc1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013565101 JF Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CNC(=S)N5CCN(c6ccccc6)CC5)(O4)[C@@H]3C2=O)cc1 ZINC000013573634 JF Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CNC(=S)N5CCN(c6ccccc6)CC5)(O4)[C@@H]3C2=O)cc1 ZINC000013573637 JF Annotated Anodyne CONC(=O)c1ccc(C)c(Nc2nc(N(C)CC(C)(C)C)nc(N3CCCN(C)CC3)n2)c1 ZINC000013586099 JF Annotated Anodyne COc1ccc(CCN(CCC(=O)Nc2cnc3ccccc3c2)C(=O)[C@H](N)CCCN)cc1 ZINC000013587007 JF Annotated Anodyne CC(=O)N1CC[C@H](C(=O)Nc2ccc(COc3ccnc4ccccc34)cc2)[C@@H](C(=O)NO)C1 ZINC000013587715 JF Annotated Anodyne CCOC(=O)c1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)s1 ZINC000013588755 JF Annotated Anodyne CCOC(=O)c1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCN(C)CC4)cccc2-3)s1 ZINC000013588757 JF Annotated Anodyne CC(C)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC12C[C@H]3C[C@H](CC(NCC(=O)O)(C3)C1)C2 ZINC000013602858 JF Annotated Anodyne COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1I ZINC000013603271 JF Annotated Anodyne CC(=O)N[C@H]1C[C@H](C)N(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000013604366 JF Annotated Anodyne CC(C)(C)OC(=O)c1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000013607966 JF Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3coc4ccccc4c3=O)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013634806 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2cc(Br)ccc2O)c1 ZINC000013638218 JF Annotated Mild NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@]1(O)c2ccccc2-c2ccncc21 ZINC000013641358 JF Annotated Anodyne NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@]1(O)c2ccccc2-c2ccncc21 ZINC000013641361 JF Annotated Anodyne NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@]1(O)c2ccccc2-c2cnccc21 ZINC000013641364 JF Annotated Anodyne NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@]1(O)c2ccccc2-c2cnccc21 ZINC000013641366 JF Annotated Anodyne O=C(O)[C@H]1NCCN(C(=O)c2ccc3c(ccc4cc(Br)ccc43)c2)[C@H]1C(=O)O ZINC000013642341 JF Annotated Bother Cn1cncc1CN1C[C@@H](N(Cc2ccccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000013644643 JF Annotated Mild in-vivo Cn1cncc1CN1C[C@H](N(Cc2ccccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000013644646 JF Annotated Mild in-vivo C[N+](C)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CC3OCCO3)cc2)cc1)CC1OCCO1 ZINC000013649935 JF Annotated Mild CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 ZINC000013650013 JF Annotated Anodyne CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)NCCc2ccccn2)cc1 ZINC000013650014 JF Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO ZINC000013656843 JF Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](c3ccc4c(c3)OCO4)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656877 JF Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3ccc(Br)cc3)C[C@H](OCCCCO)O2)CC1 ZINC000013656903 JF Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](c3coc4ccccc4c3=O)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656912 JF Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3ccc4c(c3)OCO4)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656919 JF Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000013657497 JF Annotated Anodyne C=C1CCN([C@@H](C)C(=O)NCc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc21 ZINC000013660020 JF Annotated Mild O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)c(F)c2)C(=O)O1)c1ccc(Cl)s1 ZINC000013673225 JF Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Br)s1 ZINC000013673233 JF Annotated Anodyne N#C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 ZINC000013676776 JF Annotated Reactive COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 ZINC000013681391 JF Annotated Mild COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 ZINC000013681393 JF Annotated Mild COC(=O)c1cc2c3c(ccc2[nH]1)OC[C@H](CN1CCC(Nc2ccccc2)(C(N)=O)CC1)O3 ZINC000013726433 JF Annotated Anodyne COC(=O)c1cc2c3c(ccc2[nH]1)OC[C@@H](CN1CCC(Nc2ccccc2)(C(N)=O)CC1)O3 ZINC000013726436 JF Annotated Anodyne CC(C)(C)C1CS(=O)(=O)C(c2cc([N+](=O)[O-])cc(Br)c2O)S(=O)(=O)C1 ZINC000013733475 JF Annotated Bother CC(C)(C)C1CS(=O)(=O)C(c2cc(O)c(Br)cc2[N+](=O)[O-])S(=O)(=O)C1 ZINC000013733487 JF Annotated Bother COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)[C@]21CC(O)=NC1=O ZINC000013737589 JF Annotated Anodyne CCCc1nc(C)n2c(=O)[nH]nc2c1Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)O)cc1 ZINC000013737966 JF Annotated Anodyne CC(C)(C)C1CS(=O)(=O)C(C)(c2ccc(I)cc2)S(=O)(=O)C1 ZINC000013742131 JF Annotated Anodyne COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)N(Cc3ccccc3)C1)C2=O ZINC000013744345 JF Annotated Anodyne COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(S(C)(=O)=O)c3)c2cc1OC ZINC000013756803 JF Annotated Anodyne CC(C)Nc1ccnnc1N(C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758788 JF Annotated Anodyne N#C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 ZINC000013760525 JF Annotated Reactive C[C@@H](CC(=O)O)N1CC(=O)N(C(C)(C)C)c2ccc(C#Cc3ccc(C(=N)N)cc3)cc2C1=O ZINC000013761182 JF Annotated Mild COc1c(Cl)c(-n2ccc3c4c(N)nc(N)nc4nc(=O)c-3c2)c(Cl)c(OC)c1OC ZINC000013762710 JF Annotated Bother CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)/C(=C/CO)[C@H]2SC1 ZINC000013765880 JF Annotated Anodyne COc1ccc(S(=O)(=O)N(C)CCN2CCCCCC2)cc1I ZINC000013780041 JF Annotated Anodyne O=C1c2cc(Cl)cn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1F ZINC000013781471 JF Annotated Anodyne O=C1c2cc(Br)cn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1F ZINC000013781473 JF Annotated Anodyne O=C1c2ccc(Cl)n2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1F ZINC000013781477 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NC(=O)c1ccc(CNc2cccnc2)cc1-c1ccccc1)C(=O)O ZINC000013781633 JF Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C(C5OCCO5)=C[C@@]43C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000013781878 JF Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C(C5OCCO5)=C[C@@]43C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000013781879 JF Annotated Mild O=C(O)C[C@@H]1Nc2cc(C(=O)NCCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O ZINC000013782901 JF Annotated Anodyne O=C(O)C[C@H]1Nc2cc(C(=O)NCCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O ZINC000013782902 JF Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)N[C@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2 ZINC000013782903 JF Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)N[C@@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2 ZINC000013782904 JF Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1N/N=C(/S)NCc1ccco1 ZINC000013805539 JF Annotated Mild CCC1=C2CC[C@H]3C(=O)NC(=O)[C@H]3[C@H]2[C@@]2(C)/C(=N/CCc3c[nH]c4ccccc34)OC(=O)N2C1=O ZINC000013812879 JF Annotated Mild CN(C)CCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813417 JF Annotated Mild CN(C)S(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813428 JF Annotated Mild COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc(F)c1)N(C)[C@H]2c1cccc(F)c1 ZINC000013813884 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc(C)c1)N(C)[C@H]2c1cccc(C)c1 ZINC000013813895 JF Annotated Anodyne CCN(CC)CCNC(=O)c1cc(Br)c(N)c(I)c1OC ZINC000013814384 JF Annotated Anodyne COC(=O)[C@]12CC3=CC[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3Cc3ccccc3[C@@H]1CNC2=O ZINC000013815275 JF Annotated Anodyne COC(=O)[C@@]12CC3=CC[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3Cc3ccccc3[C@@H]1CNC2=O ZINC000013815279 JF Annotated Anodyne COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCCCO ZINC000013816731 JF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCCCO ZINC000013816734 JF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCOC ZINC000013816829 JF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCOC ZINC000013816832 JF Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1CCCCO ZINC000013816841 JF Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1CCCCO ZINC000013816845 JF Annotated Mild COCCN1C=C2C(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C=C2C=C1CCCC(=O)OC ZINC000013816864 JF Annotated Mild COCCN1C=C2C(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C=C2C=C1CCCC(=O)OC ZINC000013816867 JF Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc4c(c3)OCO4)C=C2C1=O ZINC000013817105 JF Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc4c(c3)OCO4)C=C2C1=O ZINC000013817109 JF Annotated Mild CCN(CC)CCCN1C=C2C(=O)[C@@](C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1 ZINC000013817157 JF Annotated Mild CCN(CC)CCCN1C=C2C(=O)[C@](C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1 ZINC000013817160 JF Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(c3ccc(CO)cc3)C=C2C1=O ZINC000013817216 JF Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(c3ccc(CO)cc3)C=C2C1=O ZINC000013817219 JF Annotated Mild O=C(O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1 ZINC000013817635 JF Annotated Anodyne C=CC1=C2C=C(C3CC3)N(CCN3CCOCC3)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817918 JF Annotated Mild C=CC1=C2C=C(C3CC3)N(CCN3CCOCC3)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817921 JF Annotated Mild C=C(C(=O)OC)[C@H]1C[C@H](OC(C)=O)C2=C[C@@H](C[C@]3(C)O[C@H]3c3cc(C)c(o3)[C@@H]1OC(C)=O)OC2=O ZINC000013822112 JF Annotated Mild CC(C)(C)OC(=O)NCCNC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 ZINC000013823396 JF Annotated Anodyne CCc1c(COc2ccc(CCc3nnn(CCCc4nnn[nH]4)n3)cc2)ccc(C(C)=O)c1O ZINC000013824197 JF Annotated Anodyne C=C1C[C@H]2C(=O)N(Cc3ccccc3)C(C(=O)OCC)(C(=O)OCC)[C@@H]1N2C(=O)OC(C)(C)C ZINC000013828856 JF Annotated Mild C=C1C[C@@H]2C(=O)N(Cc3ccccc3)C(C(=O)OCC)(C(=O)OCC)[C@H]1N2C(=O)OC(C)(C)C ZINC000013828858 JF Annotated Mild Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1nnc4cc(C)nn4c1C)C(=O)N3CC2 ZINC000013835640 JF Annotated Anodyne C[C@H](NCCc1ccc(NCC(=O)O)c(I)c1)[C@H](O)c1ccc(O)cc1 ZINC000013862643 JF Annotated Anodyne N[C@@H](Cc1nc2cc(Br)ccc2n1CP(=O)(O)O)C(=O)OCc1ccccc1 ZINC000013862700 JF Annotated Anodyne N[C@H](Cc1nc2cc(Br)ccc2n1CP(=O)(O)O)C(=O)OCc1ccccc1 ZINC000013862701 JF Annotated Anodyne CN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCN)n1 ZINC000013864377 JF Annotated Anodyne CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1C=CC(C)(C)O2 ZINC000013887053 JF Annotated Anodyne C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3c(c2o1)C(=O)c1c(O)ccc(O)c1C3=O ZINC000013890832 JF Annotated Clean in-vitro C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3c(c2o1)C(=O)c1c(O)ccc(O)c1C3=O ZINC000013890833 JF Annotated Clean CCOC(=O)OCn1c([S@@](=O)Cc2nccc(OC)c2OC)nc2cc(C(=O)OC)c(C)cc21 ZINC000013896370 JF Annotated Anodyne COC(=O)c1[nH]c2c(c1C(=O)OC)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(OC)ccc4[nH]1)C3=CC2=O ZINC000013905855 JF Annotated Mild COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1C[C@H](NC(=O)OC(C)C)C(=O)O ZINC000013911384 JF Annotated Anodyne Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000013930173 JF Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](n2c(Br)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000013981783 JF Annotated Anodyne O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCCC2=O)CC1 ZINC000013986534 JF Annotated Anodyne CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000135619085 JF Annotated Anodyne C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000135635244 JF Annotated Mild CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000135668176 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000135668214 JF Annotated Mild C=C(CC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@H]2[C@]3(O)C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](C)CO ZINC000135673123 JF Annotated Mild C[C@]12CC[C@H](OS(=O)(=O)O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H](O)[C@@H]12 ZINC000135685523 JF Annotated Anodyne CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)C1=C[C@H](O)[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000135688245 JF Annotated Mild C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)CC/C(C)=C\[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](OC(C)=O)[C@@H]12 ZINC000135739644 JF Annotated Mild CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@@](C)([C@H]3C[C@@H]4C[C@H](O)O[C@@H]4O3)[C@H]1CCC[C@@]21CO1 ZINC000135868037 JF Annotated Anodyne Nc1c(F)c(N2C[C@@H](N)[C@H](c3ccc(O)cc3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000135900247 JF Annotated Anodyne CCN(CC)C(=S)N/N=C1\C(=O)N(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000135986162 JF Annotated Mild CO[C@H]1OCC2=C(C(=O)c3ccccc3C2=O)[C@@H]1[C@H]1C2=C(CO[C@@H]1OC)C(=O)c1ccccc1C2=O ZINC000136057216 JF Annotated Mild CN(C)c1ccc([C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]2N)cc1 ZINC000136167764 JF Annotated Anodyne C#CCO[C@H]1CN(c2ncc(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000136340117 JF Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]12C ZINC000136407545 JF Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)[C@H](O)[C@@H](O)[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C ZINC000136447412 JF Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000136474409 JF Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)[C@@H](O)[C@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000136478047 JF Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)C[C@@H](O)[C@H](O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000136603725 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C ZINC000136903024 JF Annotated Anodyne CC(=O)O[C@H]1C[C@H](C)[C@@]2(C)O[C@]23[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H](Cc4occc4[C@@]2(C)O)[C@@]13C ZINC000136910297 JF Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@H]4[C@@]3(C)[C@H]([C@H](O)C[C@@]4(C)C(=O)[C@@]3(C)COC(=O)C3)[C@@]2(C)C1=O ZINC000137056324 JF Annotated Mild CCCCCCCCCCC[C@@H]1N=C(N)NC(CCCO)=C1C(=O)OCCCCN=C(N)N ZINC000137214001 JF Annotated Mild CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6ccccc6c5C[C@@H]4C[C@@H]4O[C@@]43[C@]23O[C@@H]3[C@@H]1O ZINC000137240495 JF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000137283488 JF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000137283536 JF Annotated Anodyne CC(C)=CCC/C(C)=C\CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137290421 JF Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137290480 JF Annotated Mild CC(C)=CCC/C(C)=C\CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137290536 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C=O)C1 ZINC000137393334 JF Annotated Mild C=C(CC[C@@H](C)[C@H]1[C@@H](O)[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)CO ZINC000137562268 JF Annotated Mild C[C@@H](CC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](C)CO ZINC000137674248 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000137813212 JF Annotated Anodyne N=C1ON=C(N)[C@@H]1[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000137906165 JF Annotated Anodyne N=C1ON=C(N)[C@@H]1[C@H](CS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000137906264 JF Annotated Anodyne COc1ccc(Cn2c(=O)cc(-c3nccn3C)c3cnc(N4CCC[C@H]4CO)nc32)cc1Cl ZINC000137947848 JF Annotated Anodyne CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6ccccc6c5C[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@@H]1O ZINC000138039117 JF Annotated Anodyne O=C1c2cc3c(cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1)OCO3 ZINC000138117018 JF Annotated Clean CC(=O)Nc1ccc2c3c(n(CCCN4CCN(C)CC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2 ZINC000138117146 JF Annotated Clean CC(=O)Nc1ccc2c3c(n(CCCN4CCOCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2 ZINC000138134786 JF Annotated Clean C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000138185197 JF Annotated Mild COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)[n+]([O-])c2)c1 ZINC000138220833 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C(=O)CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138252404 JF Annotated Mild CCc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)NS(=O)(=O)c2cn(C)cn2)cc2c(C)coc12 ZINC000138278940 JF Annotated Anodyne COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000138298570 JF Annotated Anodyne Nc1c(C(=O)c2ccc(F)cc2F)ccc(=O)n1-c1c(F)cc(OCCC[C@H](N)C(=O)O)cc1F ZINC000138375213 JF Annotated Anodyne COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)cc(C(=O)N(C)C)c1 ZINC000138492519 JF Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]12C ZINC000138508420 JF Annotated Anodyne C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000138570419 JF Annotated Mild C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000138570807 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138614807 JF Annotated Mild COc1cc2c(cc1Cl)n(O)c(C#N)c(N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[n+]2=O ZINC000139101673 JF Annotated Mild C[C@@H](/C=c1/c(=O)n(C)/c(=C/[C@H](C)C(Cl)(Cl)Cl)c(=O)n1C)C(Cl)(Cl)Cl ZINC000139138419 JF Annotated Anodyne CC(C)c1cc(Cl)c(I)cc1Oc1cnc(NC(CO)CO)nc1N ZINC000139232321 JF Annotated Anodyne C=C1CC[C@@H](O)[C@H]2[C@@]1(C)[C@@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000139341263 JF Annotated Mild N#Cc1ccc(N2CCN(c3cccc(C(=O)NC4[C@H]5CC6C[C@H]4CC(O)(C6)C5)n3)CC2)cc1 ZINC000139485337 JF Annotated Mild CNC(=O)Nc1cc(-c2ccc(F)c(N3CCc4cc(N(C)C)ccc4C3=O)c2CO)cn(C)c1=O ZINC000139608905 JF Annotated Anodyne CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1OC ZINC000139938200 JF Annotated Mild COc1ccc([C@@H](CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCC4)n(C)n2)cn1 ZINC000014021186 JF Annotated Anodyne CN1C(=O)[C@]23C[C@@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000140065112 JF Annotated Anodyne COC(=O)c1c(COC(C)=O)cc2c(c1O)C(=O)c1c(cc3c(c1O)C=CC(C)(C)O3)C2=O ZINC000140125874 JF Annotated Clean O=C(c1nc2ccccc2n1CC(F)(F)F)N1CC(c2nccnc2N2CCC(O)CC2)C1 ZINC000140196892 JF Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3c(cc4c(-c5ccccc5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000140293505 JF Annotated Anodyne NC(N)=Nc1ccc([C@H]2C/C(=C/I)OC(=O)[C@H]2NC(=O)c2ccccc2)cc1 ZINC000140405495 JF Annotated Mild COc1cc(C(=O)[C@H]2CO[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2CO)cc(OC)c1OC ZINC000140460025 JF Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@](C)(O)CO ZINC000140506446 JF Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@@](C)(O)CO ZINC000140506602 JF Annotated Anodyne CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](OC(C)=O)[C@]34O[C@@]3(C)C(=O)O[C@H]4/C=C(/C)CC[C@@H](OC(C)=O)[C@@]12C ZINC000140601847 JF Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@@H]3[C@](C)(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CCC[C@@]23C)O1 ZINC000140650227 JF Annotated Anodyne COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCN(C(=O)C(C)C)CC2)C[C@H]1OC ZINC000140881847 JF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(Cc2ccnnc2)C1=O ZINC000140972381 JF Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N(Cc2ccnnc2)C1=O ZINC000140972581 JF Annotated Mild C[C@H]1CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C[C@@H](N)[C@@H]1O ZINC000141137261 JF Annotated Anodyne CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC(NCc2ccco2)CC1 ZINC000141257009 JF Annotated Anodyne CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC(NCc2ccc[nH]2)CC1 ZINC000141257209 JF Annotated Anodyne CCc1cc(-c2noc(-c3cc(OC)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000141530607 JF Annotated Anodyne COc1ccc(O)c([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1 ZINC000141581595 JF Annotated Clean O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@@H]2CC[C@@](O)(c3cncs3)CC2)C1 ZINC000141611914 JF Annotated Anodyne Cc1c(N2CC(NC(C)(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3nc(N)c(F)cc3F)c12 ZINC000141800172 JF Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccc(/C=C\C(N)=O)cc21 ZINC000141811164 JF Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OC1CCS(=O)(=O)CC1 ZINC000141836276 JF Annotated Anodyne CCc1cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)NS(=O)(=O)c2cn(C)cn2)cc2c(C)coc12 ZINC000141924595 JF Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)C1CCCCC1 ZINC000142131042 JF Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1cccs1 ZINC000142132359 JF Annotated Mild O=C(CNc1cccc(OCCN2CCOCC2)c1)N/N=C/c1c(Cl)cncc1Cl ZINC000142167910 JF Annotated Anodyne CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc([C@@H](O)CN3CCOCC3)c(CO)c2)cc1 ZINC000142179506 JF Annotated Anodyne CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc([C@H](O)CN3CCOCC3)c(CO)c2)cc1 ZINC000142179725 JF Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000142196043 JF Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000142196274 JF Annotated Anodyne C[C@@H](/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@H](C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1)[C@@H](C)O ZINC000142315417 JF Annotated Mild C[C@H]1[C@@H](C)OC(=O)[C@@H]2[C@H]3C4=COC(/C=C/[C@@H](C)[C@@H](C)O)=CC4=C(Cl)C(=O)[C@@]3(C)O[C@]12O ZINC000142315627 JF Annotated Mild Cc1ccc(-c2noc3c(Cl)c4c(cc23)CC2(C(=O)NC(=O)NC2=O)[C@H]2[C@H](C)O[C@H](C)CN42)cn1 ZINC000142396124 JF Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3c(cc4c(NCC5CCCCC5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000142428858 JF Annotated Anodyne Cc1cc(Br)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(N)c2)c1 ZINC000142505781 JF Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3c(cc4c(-c5ccccc5F)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000142680291 JF Annotated Anodyne CC1(S(=O)(=O)n2cc3c(n2)CN([C@H]2CCO[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C2)C3)CC1 ZINC000142728822 JF Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CCN(c4ccc(C(=O)O)cc4Cl)CC3)nc2)c1)C(=O)CN ZINC000142767749 JF Annotated Anodyne C[C@@](O)(C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)c1ccccc1 ZINC000142908404 JF Annotated Anodyne C[C@](O)(C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)c1ccccc1 ZINC000142908624 JF Annotated Anodyne C[C@@](O)(C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O)c1ccccc1 ZINC000142908842 JF Annotated Anodyne C[C@](O)(C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O)c1ccccc1 ZINC000142909049 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)c1OC ZINC000142911178 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)c1OC ZINC000142911388 JF Annotated Anodyne COc1nccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)c1Cl ZINC000142919287 JF Annotated Anodyne COc1nccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)c1Cl ZINC000142919478 JF Annotated Anodyne COc1ccc(OC)c(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)c1 ZINC000142956813 JF Annotated Anodyne COc1ccc(OC)c(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)c1 ZINC000142957024 JF Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(-c3ccc(N4CCCC4)nc3)ccc1-2 ZINC000142981800 JF Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(-c3ccc(N4CCCC4)nc3)ccc1-2 ZINC000142982002 JF Annotated Anodyne CC(C)(C)c1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)no1 ZINC000142986756 JF Annotated Anodyne CC(C)(C)c1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)no1 ZINC000142986959 JF Annotated Anodyne CN(CC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)Cc1ccccc1 ZINC000143003135 JF Annotated Anodyne CN(CC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O)Cc1ccccc1 ZINC000143003368 JF Annotated Anodyne CO[C@@H]1CN(c2ncc(C[C@@H](O)CO)cc2Cl)CCN1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000143004369 JF Annotated Anodyne COCCN(C)c1cc(C(=O)O)nc2c(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)nc12 ZINC000143039229 JF Annotated Anodyne COCCN(C)c1cc(C(=O)O)nc2c(-c3cc(F)cc(F)c3)nc(N3CCOCC3)nc12 ZINC000143090175 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](Cn2cccn2)CN1 ZINC000143128314 JF Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@]4(C)CCC[C@H]4CO)n3)cc2)CC1 ZINC000143160860 JF Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000143203958 JF Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000143204147 JF Annotated Anodyne COC(=O)C1=CN(CCCC(=O)O)[C@H]2OC[C@H]3[C@@H]2[C@@H]1C[C@H]1c2[nH]c4ccccc4c2CCN13 ZINC000143267773 JF Annotated Anodyne CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 ZINC000143298275 JF Annotated Anodyne CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000143333465 JF Annotated Anodyne CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000143333671 JF Annotated Anodyne C=C1C[C@@H](O)[C@@H](O)/C(C)=C/C[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000143348069 JF Annotated Mild O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@@H]2CC[C@H](c3cnccn3)CC2)C1 ZINC000143358329 JF Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(Cc2ncc(F)cn2)C3=O)C[C@H]1C ZINC000143459953 JF Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC2CCOCC2)C3=O)C[C@H]1C ZINC000143465204 JF Annotated Anodyne Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(CO)c4c3=O)c2CO)cc1C(N)=O ZINC000143513295 JF Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCCC[C@@H]4CO)n3)cc2)CC1 ZINC000143539076 JF Annotated Anodyne CN[C@@H]1C[C@H](c2c(O)c3c(c4c(O)cc(C)cc24)C(=O)c2cccc(O)c2C3=O)O[C@H](C)[C@H]1O ZINC000143594437 JF Annotated Clean NC(=O)c1nn(-c2cccnc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1 ZINC000143742162 JF Annotated Anodyne CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)c2cccs2)c1 ZINC000143856226 JF Annotated Mild CCNC(=O)CN1CCC[C@H](NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1 ZINC000143902201 JF Annotated Anodyne CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)C1 ZINC000143902416 JF Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)NCc2ccc(Cl)s2)c2ccccc21 ZINC000143950984 JF Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2CNS(=O)(=O)c2ccccc2F)c2ccccc21 ZINC000143969268 JF Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)N[C@@H]2CCc3ccc(Cl)cc32)c2ccccc21 ZINC000143972858 JF Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)N[C@H]2CCc3ccc(Cl)cc32)c2ccccc21 ZINC000143973056 JF Annotated Anodyne O=c1[nH]c(=O)c2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2o1 ZINC000143984004 JF Annotated Anodyne C[C@H]1CN(Cc2cn[nH]c2-c2ccc3oc(=O)[nH]c(=O)c3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000143984241 JF Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)NCc2cccc(-n3cccc3)c2)c2ccccc21 ZINC000143995261 JF Annotated Anodyne C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3oc(=O)[nH]c(=O)c3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144000075 JF Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](c2nc3cc(C)c(-c4ccc(F)nc4)cc3s2)S(C)(=O)=O)o1 ZINC000144016209 JF Annotated Anodyne Cc1nnc(CNC(=O)[C@H](c2nc3cc(C)c(-c4ccc(F)nc4)cc3s2)S(C)(=O)=O)o1 ZINC000144016415 JF Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)N[C@@H]2CCOc3ccc(Cl)cc32)c2ccccc21 ZINC000144018920 JF Annotated Anodyne NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)N[C@H]2CCOc3ccc(Cl)cc32)c2ccccc21 ZINC000144019127 JF Annotated Anodyne O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](CO)C3)ccc2O1 ZINC000144051036 JF Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23N=C(N)N(Cc2ncc(F)cn2)C3=O)C[C@H]1C ZINC000144055907 JF Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1Cc1ccccc1 ZINC000144109462 JF Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2cccc(F)c2)nn1-c1ccccc1 ZINC000144110152 JF Annotated Anodyne Cn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)nc(C(F)(F)F)n1C ZINC000144110575 JF Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)oc1-c1cccnc1 ZINC000144111644 JF Annotated Anodyne Cc1c2c(nn1S(=O)(=O)C1(C)CC1)CN([C@H]1CCO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000144195704 JF Annotated Anodyne CN(C)C(=O)c1cc2ccc(Nc3nccc(-c4cc(OC[C@@H]5CNC(=O)C5)ccn4)n3)cc2n1C ZINC000144295760 JF Annotated Anodyne CN(C)C(=O)c1cc2ccc(Nc3nccc(-c4cc(OC[C@H]5CNC(=O)C5)ccn4)n3)cc2n1C ZINC000144295960 JF Annotated Anodyne Nc1cccnc1[C@H]1CC[C@@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000144297006 JF Annotated Anodyne Nc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 ZINC000144297207 JF Annotated Anodyne COc1ccc(CN2CCN(c3nc4cnc(C(=O)N(C)C)cc4nc3NC3CC3)CC2)c(F)c1 ZINC000144387298 JF Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)cc1 ZINC000144438626 JF Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nc2c1 ZINC000144550729 JF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@@]4(O)CCOC[C@H]4O)nc3)cc(-c3ccccn3)c2s1 ZINC000144645364 JF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@]4(O)CCOC[C@@H]4O)nc3)cc(-c3ccccn3)c2s1 ZINC000144648064 JF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@@]4(O)CCOC[C@@H]4O)nc3)cc(-c3ccccn3)c2s1 ZINC000144705380 JF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc([C@]4(O)CCOC[C@H]4O)nc3)cc(-c3ccccn3)c2s1 ZINC000144705592 JF Annotated Anodyne COCc1cnc(N2CCC([C@H]3C[C@H]3COCc3ccc(-n4cnnn4)c(F)c3)CC2)nc1 ZINC000144746163 JF Annotated Anodyne C#Cc1cc(Oc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2N)c(C(C)C)cc1OC ZINC000144767684 JF Annotated Anodyne CN(Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1)C(=O)CCN ZINC000144777783 JF Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@H]4CCCC[C@@H]4CO)n3)cc2)CC1 ZINC000144801506 JF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@@H](C(=O)O)CC3)c2c1=O ZINC000144804428 JF Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC(OCCO)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144823472 JF Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC(OCCO)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144823622 JF Annotated Anodyne CN(Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1)S(C)(=O)=O ZINC000144829589 JF Annotated Anodyne CN(CCOc1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000144845323 JF Annotated Anodyne CN(CCOc1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000144845526 JF Annotated Anodyne Cn1cc(-c2cc(OCC(=O)N3CC(CO)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144849967 JF Annotated Anodyne Cn1cc(-c2cc(OCC(=O)N3CC(CO)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144850184 JF Annotated Anodyne O=C(COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000144866827 JF Annotated Anodyne O=C(COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000144867017 JF Annotated Anodyne COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(C)=O)c1O)OC(C)(C)[C@H](O)C2 ZINC000014585768 JF Annotated Anodyne COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(C)=O)c1O)OC(C)(C)[C@@H](O)C2 ZINC000014585769 JF Annotated Anodyne C[C@@]12CC(=O)c3c(cc(O)c4c3C(=O)c3cccc(O)c3C4=O)C1=Nc1cc(C(N)=O)ccc1O2 ZINC000014610933 JF Annotated Clean CC(C)C[C@@H](C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)N(C)C ZINC000014611760 JF Annotated Anodyne COc1ccc([C@@H](OC)c2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(O)cc2)cc1 ZINC000014611950 JF Annotated Mild COc1ccc(Cc2c([C@H](OC)c3ccc(OC)cc3)nc(/N=C3\NC(=O)N(C)C3=O)n2C)cc1 ZINC000014611952 JF Annotated Mild COc1ccc([C@@H](OC(C)=O)[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(CO)c1OC ZINC000014612464 JF Annotated Anodyne COc1ccc([C@H](OC(C)=O)[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(CO)c1OC ZINC000014612465 JF Annotated Anodyne COc1ccc([C@H](OC(C)=O)[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(C(=O)O)c1OC ZINC000014612473 JF Annotated Anodyne COc1cc(C(=O)[C@H]2COC[C@@H]2[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000014616617 JF Annotated Anodyne COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@H](COC(C)=O)[C@@H]2CO)cc2c1OCO2 ZINC000014616632 JF Annotated Anodyne COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@H](CO)[C@@H]2COC(C)=O)cc2c1OCO2 ZINC000014616633 JF Annotated Anodyne COc1cc([C@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](COC(C)=O)[C@@H]2CO)cc2c1OCO2 ZINC000014616634 JF Annotated Anodyne COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](COC(C)=O)[C@@H]2CO)cc(OC)c1O ZINC000014616641 JF Annotated Anodyne COc1cc([C@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](COC(C)=O)[C@@H]2CO)cc(OC)c1O ZINC000014616642 JF Annotated Anodyne COc1cc(C[C@H](CO)[C@@H](COC(C)=O)Cc2cc(OC)c3c(c2)OCO3)cc2c1OCO2 ZINC000014616709 JF Annotated Anodyne in-vitro biogenic CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)c(=O)[nH]c1=O ZINC000014623322 JF Annotated Anodyne CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)c(=O)[nH]c1=O ZINC000014623323 JF Annotated Anodyne C[C@H]1CCCCC[C@@H](O)C(=O)[C@@H](S[C@@H]2CC(=O)O[C@@H](C)CCCCC[C@@H](O)C2=O)CC(=O)O1 ZINC000014636823 JF Annotated Anodyne C[C@H]1CCCCC[C@@H](O)C(=O)[C@H](S[C@H]2CC(=O)O[C@H](C)CCCCC[C@H](O)C2=O)CC(=O)O1 ZINC000014636825 JF Annotated Anodyne C[C@H]1CCCCC[C@H](O)C(=O)[C@@H](S[C@@H]2CC(=O)O[C@@H](C)CCCCC[C@@H](O)C2=O)CC(=O)O1 ZINC000014636826 JF Annotated Anodyne CC1=CC(=O)[C@@]2(O1)C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(O)c(O)cc12 ZINC000014650569 JF Annotated Mild in-vitro biogenic CC1=CC(=O)[C@]2(O1)C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(O)c(O)cc12 ZINC000014650570 JF Annotated Mild COc1cc2c(cc1[C@@H]1OC[C@]3(OC(C)=O)[C@H]1CO[C@@H]3Oc1ccc3c(c1)OCO3)OCO2 ZINC000014653807 JF Annotated Anodyne in-vitro biogenic Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681020 JF Annotated Anodyne in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681022 JF Annotated Anodyne in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681023 JF Annotated Anodyne in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681025 JF Annotated Anodyne in-man endogenous Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]3[C@@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681057 JF Annotated Reactive in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@H]3[C@@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681059 JF Annotated Reactive in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681060 JF Annotated Reactive in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@H]3[C@@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681062 JF Annotated Reactive in-man COc1ccc(Cc2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)c(OC)c2O)cc1 ZINC000014684298 JF Annotated Mild C/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@@H](CC(=O)O)C(=O)O ZINC000014688773 JF Annotated Mild C/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@H](CC(=O)O)C(=O)O ZINC000014688775 JF Annotated Mild CCCCCC[C@@H](C)C(=O)C1=C2C(C(=O)OC)=C3C=C(C)N(CCO)C=C3C(=O)[C@]2(C)OC1=O ZINC000014696156 JF Annotated Mild C/C=C1\CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H](COC(C)=O)[C@@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 ZINC000014718046 JF Annotated Anodyne Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H]2C ZINC000014721464 JF Annotated Anodyne in-vitro Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@@H](C)c1nc(cs1)C(=O)N[C@H]2C ZINC000014721468 JF Annotated Anodyne in-vitro CC(=O)Cc1cc2c(c(O)c1C(=O)O)-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc(O)cc1C3=O ZINC000014724660 JF Annotated Clean in-vitro COc1ccc2c(c1)[C@H](OS(=O)(=O)O)[C@H](c1cc(/C=C/C(=O)O)cc(OC)c1O)CO2 ZINC000014768449 JF Annotated Anodyne in-man COc1ccc2c(c1)[C@H](OS(=O)(=O)O)[C@@H](c1cc(/C=C/C(=O)O)cc(OC)c1O)CO2 ZINC000014768453 JF Annotated Anodyne in-man COc1ccc2c(c1)[C@@H](OS(=O)(=O)O)[C@H](c1cc(/C=C/C(=O)O)cc(OC)c1O)CO2 ZINC000014768457 JF Annotated Anodyne in-man COc1ccc2c(c1)[C@@H](OS(=O)(=O)O)[C@@H](c1cc(/C=C/C(=O)O)cc(OC)c1O)CO2 ZINC000014768462 JF Annotated Anodyne in-man CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)(C)O)C2=C[C@H](OC(=O)CC(C)C)[C@@]3(CO3)[C@H]21 ZINC000014771172 JF Annotated Anodyne in-man endogenous CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@@]2(O)CCl ZINC000014827098 JF Annotated Reactive in-man CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@@]2(O)CCl ZINC000014827100 JF Annotated Reactive in-man CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@@]2(O)CCl ZINC000014827101 JF Annotated Reactive in-man CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(CC[C@@H](O)C(C)(C)O)C/C=C(/CO)C(=O)/C=C/[C@@]1(C)O ZINC000014828887 JF Annotated Mild in-vitro biogenic Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000014850029 JF Annotated Anodyne C=C(C)C1=C[C@]23O[C@@]4(C(=O)C=C(OC)C(=O)[C@@H]14)[C@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000014856710 JF Annotated Mild in-man C=C(C)C1=C[C@@]23O[C@]4(C(=O)C=C(OC)C(=O)[C@@H]14)[C@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000014856712 JF Annotated Mild in-man CC1=C2C[C@@](C)(CO)C[C@]2(O)C(=O)[C@@]2(CCc3c(CCO)c(C)c4c(c3O2)C[C@](C)(CO)C4)C12CC2 ZINC000014860618 JF Annotated Anodyne COc1cccc(CNc2ncnc3sc(C(=O)NC[C@@H]4COCCO4)c(C)c23)c1OC ZINC000014889230 JF Annotated Anodyne COc1cccc(CNc2ncnc3sc(C(=O)NC[C@H]4COCCO4)c(C)c23)c1OC ZINC000014889232 JF Annotated Anodyne CC[C@@H](C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000014921505 JF Annotated Anodyne in-man endogenous CC[C@H](C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000014921508 JF Annotated Anodyne in-man endogenous CC[C@@H](C)[C@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000014921511 JF Annotated Anodyne in-man endogenous CC[C@H](C)[C@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000014921514 JF Annotated Anodyne in-man endogenous C=CCONC(=O)c1nn(-c2ccc(S(=O)(=O)NCCCC)cc2)c2c1ccc1[nH]ncc12 ZINC000014945844 JF Annotated Mild CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C=C1C=O ZINC000014948784 JF Annotated Reactive in-man endogenous CCO[C@H]1C[C@@H]2C3=C(C(C)C)CC[C@@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C=C1C=O ZINC000014948787 JF Annotated Reactive in-man endogenous CCO[C@@H]1C[C@H]2C3=C(C(C)C)CC[C@@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C=C1C=O ZINC000014948790 JF Annotated Reactive in-man endogenous CCO[C@H]1C[C@H]2C3=C(C(C)C)CC[C@@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C=C1C=O ZINC000014948793 JF Annotated Reactive in-man endogenous CC(C)N(CCC#N)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014949949 JF Annotated Mild C[C@@H](C(=O)N(CCC#N)C1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014949955 JF Annotated Mild COc1ccc(-n2nc(C#N)c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1 ZINC000014950497 JF Annotated Mild Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccccc2)c1 ZINC000014952243 JF Annotated Mild CN(C)CC[S@@](=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964761 JF Annotated Anodyne CN(C)CC[S@](=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964765 JF Annotated Anodyne CN(C)CC[S@@](=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964769 JF Annotated Anodyne CN(C)CC[S@](=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964773 JF Annotated Anodyne CN(CCO)C(=O)CCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966983 JF Annotated Anodyne CN(CCO)C(=O)CCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966987 JF Annotated Anodyne CN(CCO)C(=O)CCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014967007 JF Annotated Anodyne CN(CCO)C(=O)CCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014967011 JF Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H]1CC[C@@H](OC(C)=O)[C@@]21CO1 ZINC000014973693 JF Annotated Anodyne CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H]1CC[C@@H](OC(C)=O)[C@@]21CO1 ZINC000014973700 JF Annotated Anodyne COc1cc(Cn2cnc3c(Cl)nc(N)nc32)c(I)c(OC)c1OC ZINC000014974558 JF Annotated Anodyne O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(F)ccc3Cl)C2=O)c2cc(Cl)ccc21 ZINC000014976691 JF Annotated Anodyne O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3cc(F)ccc3Cl)C2=O)c2cc(Cl)ccc21 ZINC000014976694 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1CN1C(=O)C[C@@]2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000014976779 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1CN1C(=O)C[C@]2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000014976781 JF Annotated Anodyne Cc1noc(-c2ccccc2)c1CN1C(=O)C[C@@]2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000014976784 JF Annotated Anodyne Cc1noc(-c2ccccc2)c1CN1C(=O)C[C@]2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000014976787 JF Annotated Anodyne COC(=O)c1c(S(=O)(=O)NCc2cccc(Cl)c2)sc2c1CCN(C(=O)[C@@H]1CCCO1)C2 ZINC000014980365 JF Annotated Anodyne COC(=O)c1c(S(=O)(=O)NCc2cccc(Cl)c2)sc2c1CCN(C(=O)[C@H]1CCCO1)C2 ZINC000014980368 JF Annotated Anodyne CN(C)C[C@@H]1CCN(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C)sc2CC3)[C@@H]1C(N)=O ZINC000145020457 JF Annotated Anodyne CS(=O)(=O)Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1 ZINC000145078618 JF Annotated Anodyne Cc1nc(NC(=O)N2CC[C@@H](O)[C@H]2C(N)=O)sc1-c1csc(C2(C(F)(F)F)CC2)n1 ZINC000145105018 JF Annotated Anodyne COc1ccc(C(=O)O[C@H]2CC(C)=C3C(=O)C=C(C)[C@H]3[C@@H]3OC(=O)[C@@](C)(OC(C)=O)[C@H]23)cc1OC ZINC000145169019 JF Annotated Mild CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(OC[C@@H]5CNC(=O)C5)ccn4)n3)ccc2[nH]1 ZINC000145333259 JF Annotated Anodyne CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(OC[C@H]5CNC(=O)C5)ccn4)n3)ccc2[nH]1 ZINC000145333482 JF Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@@]12[C@H]43 ZINC000145336060 JF Annotated Anodyne Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(CC(=O)N4CC[C@@H](O)C4)cc3Cl)cc1)CCO2 ZINC000145343649 JF Annotated Anodyne CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@@H](OC(C)=O)[C@@H]1[C@@H]2[C@]1(C)CCC2=C([C@H]1C)[C@H](O)CCC2(C)C ZINC000145352693 JF Annotated Anodyne Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(CN4CC[C@H](O)C4=O)cc3Cl)cc1)CCO2 ZINC000145790382 JF Annotated Anodyne N=C(N)c1ccc(OC(=O)c2ccc(-c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)s2)c(F)c1 ZINC000145946695 JF Annotated Anodyne CC(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)c3ccoc3)[C@H]1CC[C@H](O)[C@]21CO1 ZINC000146008777 JF Annotated Anodyne N#Cc1ccc2cccc(NC(=O)[C@@]3(O)CC[C@@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000146607433 JF Annotated Anodyne C[C@@H](O)[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@@H](C(=O)[C@H](C)[C@@H](C)O)[C@H]3C2=CO1 ZINC000146705539 JF Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](O)[C@]3(/C=C(/C)[C@H]1O)O4)C2(C)C ZINC000146828005 JF Annotated Anodyne CCCCCCC/N=C(\N)N/C(N)=N/CCCCCC/N=C(\N)N/C(N)=N/CCCCCCC ZINC000146946518 JF Annotated Mild CCCCC(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)CCCC ZINC000147004122 JF Annotated Anodyne COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)CO)cc2)CC3)cc1 ZINC000147056600 JF Annotated Anodyne CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnc5c(cnn5C[C@@H]5CCOC5)c4)nc3n2C1 ZINC000147165154 JF Annotated Anodyne CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnc5c(cnn5C[C@H]5CCOC5)c4)nc3n2C1 ZINC000147165352 JF Annotated Anodyne COc1c2n(c3ccc(Cl)cc13)[C@]1(O)C(=O)N(C)C(=O)[C@]1(O)c1c-2[nH]c2ccc(Cl)cc12 ZINC000147243184 JF Annotated Anodyne Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3NS(C)(=O)=O)nn2c(=O)c1C ZINC000147353100 JF Annotated Anodyne Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3NS(C)(=O)=O)nn2c(=O)c1C ZINC000147354465 JF Annotated Anodyne Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3NS(C)(=O)=O)nn2c(=O)c1C ZINC000147354682 JF Annotated Anodyne Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(=O)(=O)C3CC3)nn2c(=O)c1C ZINC000147355852 JF Annotated Anodyne Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3[nH]c(C)c(C)c(=O)n3n2)c1 ZINC000147378434 JF Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(=O)n(CCO)n4)ccn23)c1 ZINC000147402536 JF Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147512860 JF Annotated Anodyne CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 ZINC000147630289 JF Annotated Anodyne CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C(F)(F)F)n1 ZINC000147709880 JF Annotated Anodyne CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(CO)c(C(F)(F)F)n1 ZINC000147710032 JF Annotated Anodyne CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 ZINC000147740741 JF Annotated Anodyne CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1 ZINC000147754101 JF Annotated Anodyne CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1ncc(C(N)=O)c(C(F)(F)F)n1 ZINC000147754418 JF Annotated Anodyne CC(=O)c1cn(CC(=O)N2C[C@@H](N)[C@H](F)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 ZINC000147808226 JF Annotated Anodyne Cc1ccc(C(=O)NC[C@@H]2CCOC2)cc1Nc1ncnc2cnc(N3CC[C@@H](F)C3)nc12 ZINC000148189849 JF Annotated Anodyne Cc1ccc(C(=O)NC[C@H]2CCOC2)cc1Nc1ncnc2cnc(N3CC[C@@H](F)C3)nc12 ZINC000148190035 JF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)NCCN3CCCC3=O)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148276617 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(CCOC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148300764 JF Annotated Mild CCC[C@H](C(=O)c1cc(CC(C)C)c(O)c(C=O)c1O)[C@H]1C[C@@H](O)[C@]2(O[C@H]2CC)[C@H](O)O1 ZINC000148344844 JF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148388432 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCS(=O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148457365 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@@H](O)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148483646 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC[C@H](O)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148483851 JF Annotated Mild CCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCS(C)(=O)=O ZINC000148507437 JF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148540169 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)[C@@H](C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148562045 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)[C@H](C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148562222 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCN3CCCC3=O)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148563077 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCN3CCCC3=O)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148585589 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148592746 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148622826 JF Annotated Mild O=C(O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O ZINC000148629518 JF Annotated Anodyne CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148667556 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148671376 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148671563 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148734025 JF Annotated Mild COc1cc(CN(C)C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000148837682 JF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)NC[C@@H]3CCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148865977 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)NC[C@H]3CCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148866163 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(CC)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148880959 JF Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N(C)CCN(C)C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148904209 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148954321 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@@H]4CNC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148961761 JF Annotated Mild C[C@@H](Nc1nc(Nc2ccc([S@@](=N)(=O)CCO)cc2)ncc1Br)C(C)(C)O ZINC000149013256 JF Annotated Anodyne C[C@@H](Nc1nc(Nc2ccc([S@](=N)(=O)CCO)cc2)ncc1Br)C(C)(C)O ZINC000149013442 JF Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N2CCN(C3CC3)CC2)cc1NS(=O)(=O)c1ccccc1 ZINC000149133834 JF Annotated Mild Cc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CCN(CC4CCOCC4)C[C@@H]2C)C3(C)C)nc1 ZINC000149133919 JF Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N2CCCOCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000149142071 JF Annotated Mild COCCN(C)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000149142529 JF Annotated Mild CCc1ncnc(N2CCN(C)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000149148557 JF Annotated Mild Nc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149227175 JF Annotated Anodyne N#Cc1ccc2ncc(C#N)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149260155 JF Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc4cccn4cn3)n[nH]c2C1(C)C ZINC000149275836 JF Annotated Anodyne Cc1cccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CCN(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1 ZINC000149491621 JF Annotated Anodyne C[C@H]1CN(CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cn3)n[nH]c2C1(C)C ZINC000149531995 JF Annotated Anodyne COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C2CCNCC2)c1 ZINC000149816364 JF Annotated Anodyne NCCCC[C@H](N)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000001538277 JF Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c2c1C[C@@H]1C(=O)[C@@]3(CCc4ccccc43)C(=O)[C@@H]1C2 ZINC000001617089 JF Annotated Anodyne O=C1C2=C(C3=NCCc4c[nH]c1c43)C1(C=C(Br)C(O)C(Br)=C1)CCN2 ZINC000001618511 JF Annotated Mild OC[C@@H](O)[C@@H](O)[C@@H](O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000001622944 JF Annotated Anodyne CS[C@H]([C@H]1c2ccccc2N(C)c2[nH]c(=O)n(C)c(=O)c21)S(=O)(=O)c1ccc(C)cc1 ZINC000001628599 JF Annotated Anodyne CS[C@@H]([C@H]1c2ccccc2N(C)c2[nH]c(=O)n(C)c(=O)c21)S(=O)(=O)c1ccc(C)cc1 ZINC000001628600 JF Annotated Anodyne CS[C@H]([C@@H]1c2ccccc2N(C)c2[nH]c(=O)n(C)c(=O)c21)S(=O)(=O)c1ccc(C)cc1 ZINC000001628601 JF Annotated Anodyne CS[C@@H]([C@@H]1c2ccccc2N(C)c2[nH]c(=O)n(C)c(=O)c21)S(=O)(=O)c1ccc(C)cc1 ZINC000001628602 JF Annotated Anodyne COC(=O)C1(C(=O)OC)CC(=O)c2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)C1)OCO3 ZINC000001630783 JF Annotated Anodyne CCOC(=O)/C(C#N)=C1/SC(C(=O)N/N=C/c2ccc(OC)cc2)=C(N)N1c1ccccc1 ZINC000001633233 JF Annotated Reactive Cc1ccccc1Nc1nc(NNC(=O)Cc2ccccc2)nc(NNC(=O)c2ccncc2)n1 ZINC000001637775 JF Annotated Reactive Cc1ccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)cc1 ZINC000001637781 JF Annotated Reactive O=C(O)c1ccc(P(=O)(O)c2ccc(C(=O)O)cc2Br)c(Br)c1 ZINC000001642181 JF Annotated Reactive CCOC(=O)COc1c(OC)cc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1OC ZINC000001643578 JF Annotated Anodyne O=C1C(Br)=CC2(C=C1Br)CCNC1=C2C(=O)c2ncccc2C1=O ZINC000001644215 JF Annotated Mild Cc1cc2c(c(C(=O)NCCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCCC(=O)O)S2 ZINC000001649650 JF Annotated Anodyne CCn1c(SCC(=O)N/N=C2\SCC(=O)N2c2ccc(C)cc2)nc2ccccc2c1=O ZINC000001652785 JF Annotated Reactive CCOC(=O)C(C#N)=C(NS(=O)(=O)c1cc(C)c(Cl)cc1S)[n+]1ccc(N(C)C)cc1 ZINC000001663279 JF Annotated Reactive CC(=O)CC(=O)Nn1c(-c2cccs2)nc2ccc(I)cc2c1=O ZINC000001663596 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(F)cc3)oc12 ZINC000001833032 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(F)cc3)oc12 ZINC000001833033 JF Annotated Anodyne Cc1c(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cnn1-c1ccccc1 ZINC000001837278 JF Annotated Anodyne O=C1C(Br)=CC2(C=C1Br)CCNC1=C2C(=O)c2cccnc2C1=O ZINC000001856491 JF Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc(F)cc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000001867350 JF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc(F)cc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000001867351 JF Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000001867352 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000001996050 JF Annotated Mild C[C@H]1O[C@]1(C)C(=O)O[C@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@@H]1OC(=O)[C@@]1(C)O[C@@H]1C ZINC000015043609 JF Annotated Anodyne COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2COC(C)=O)cc(OC)c1O ZINC000015044305 JF Annotated Anodyne COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@H]2COC(=O)[C@@H]2COC(C)=O)cc(OC)c1O ZINC000015044308 JF Annotated Anodyne COC(=O)C[C@H](c1ccc(O)c(O)c1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000015112716 JF Annotated Clean C=C1CC[C@H]2[C@H](C(C)(C)O)CC[C@]2(C)[C@@H](O)/C=C(\COC(=O)C[C@@](C)(O)CC(=O)O)CC[C@H]1O ZINC000015146642 JF Annotated Mild CC1(C)C(=O)[C@]2(O)CC3=CCC[C@]4(C)C3=C(C(=O)O[C@@H]4c3ccoc3)[C@]2(O)[C@]2(C)OC(=O)C[C@@H]12 ZINC000015148333 JF Annotated Anodyne in-man endogenous CC1(C)C(=O)[C@]2(O)CC3=CCC[C@]4(C)C3=C(C(=O)O[C@@H]4c3ccoc3)[C@]2(O)[C@]2(C)OC(=O)C[C@H]12 ZINC000015148335 JF Annotated Anodyne in-man endogenous CC1(C)C(=O)[C@]2(O)CC3=CCC[C@]4(C)C3=C(C(=O)O[C@@H]4c3ccoc3)[C@]2(O)[C@@]2(C)OC(=O)C[C@@H]12 ZINC000015148337 JF Annotated Anodyne in-man endogenous CC1(C)C(=O)[C@]2(O)CC3=CCC[C@]4(C)C3=C(C(=O)O[C@@H]4c3ccoc3)[C@]2(O)[C@@]2(C)OC(=O)C[C@H]12 ZINC000015148339 JF Annotated Anodyne in-man endogenous COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@@H]3C[C@@]123 ZINC000015148479 JF Annotated Mild CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCOCC1 ZINC000015152131 JF Annotated Anodyne CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCOCC1 ZINC000015152134 JF Annotated Anodyne COc1c(C(C)=O)c(O)cc(O)c1-c1c(CO)cc(O)c2c1C(=O)c1cccc(O)c1C2=O ZINC000015249254 JF Annotated Clean in-vitro COc1cc(O)c(-c2c(CO)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O ZINC000015249257 JF Annotated Clean O=C(NCCc1ccc(O)c(Br)c1)[C@@H](O)Cc1ccc(O)c(Br)c1 ZINC000015268948 JF Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000153059014 JF Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000153259159 JF Annotated Mild COc1cccc(-c2c(C(=O)N/N=C(/C)c3ccc(Cl)s3)nnn2-c2nonc2N)c1 ZINC000015899626 JF Annotated Reactive COc1cc(C(=O)NCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC ZINC000015899933 JF Annotated Reactive NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000015936240 JF Annotated Clean NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000015936241 JF Annotated Clean COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NCc3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000015937551 JF Annotated Bother COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NCc3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000015937552 JF Annotated Bother c1ccc(-c2cn(C[C@H]3CC[C@@H]([C@@H]4CC[C@H](Cn5cc(-c6ccccn6)nn5)O4)O3)nn2)nc1 ZINC000015941103 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)CN(Cc3ccccc3)C(=O)[C@@]21C ZINC000015941131 JF Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(Cc4ccccc4)CC(=O)N23)o1 ZINC000015941144 JF Annotated Anodyne C[C@@]12C(=O)N(CC3CC3)CC(=O)N1[C@H](/C=C/c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000015941178 JF Annotated Anodyne Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000015941254 JF Annotated Anodyne COCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000015942171 JF Annotated Anodyne COCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000015942173 JF Annotated Anodyne CCn1c(=O)c(CCC(=O)NCCN2CCOCC2)c(C)c2c(C)nn(-c3cccc(C)c3)c21 ZINC000015942466 JF Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000015952233 JF Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000015952257 JF Annotated Anodyne CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000015953079 JF Annotated Anodyne N=C(O)COc1ccccc1C1=NO[C@](CC(=O)O)(/C(O)=N/c2ccc3c(c2)OCCO3)C1 ZINC000015971651 JF Annotated Mild CCC1=C2CC[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N/CCOC)OC(=O)N2C1=O ZINC000015974517 JF Annotated Mild COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(=O)c1C#N ZINC000015979422 JF Annotated Reactive CSc1nc(O)cc(NS(=O)(=O)c2cc(Br)ccc2Br)n1 ZINC000016035386 JF Annotated Anodyne C[C@@H]1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1 ZINC000016052369 JF Annotated Anodyne in-vivo Cc1[nH]c(CC2=c3cc(S(=O)(=O)N(C)c4cccc(Cl)c4)ccc3=NC2=O)c(C)c1C ZINC000016052528 JF Annotated Anodyne in-vivo O=S(=O)(CCNCCCO)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 ZINC000016052683 JF Annotated Anodyne in-vivo CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccccc2)[C@H](C)O1 ZINC000016952918 JF Annotated Anodyne COc1cc(OC(C)=O)c2c(oc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc32)c1OC(C)=O ZINC000166940660 JF Annotated Bother NC(=O)c1cccc2c(N[C@@H](CCO)c3cccc(N[C@@H](O)c4cc(C5CC5)n[nH]4)c3)ncnc12 ZINC000166985082 JF Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCO)c3cccc(N[C@@H](O)c4cc(C5CC5)n[nH]4)c3)ncnc12 ZINC000166985187 JF Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCO)c3cccc(N[C@H](O)c4cc(C5CC5)n[nH]4)c3)ncnc12 ZINC000166985306 JF Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCO)c3cccc(N[C@H](O)c4cc(C5CC5)n[nH]4)c3)ncnc12 ZINC000166985407 JF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000167328711 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(OC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167337763 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167346428 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@H]4C[C@@H]3CN4C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167367004 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000167377744 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167395419 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCS(=O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167401649 JF Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4cnnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167408438 JF Annotated Mild C#CCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1 ZINC000167414650 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)NCC3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167416116 JF Annotated Mild C#CCN1CCN(C(=O)c2c(F)cc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1 ZINC000167417328 JF Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C(=O)C3)c(F)c2)c1C#Cc1ccc(NC)nc1 ZINC000167425102 JF Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C(=O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167440105 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCn4cnnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167449580 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC4(CNC4)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167454511 JF Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CC4(CN(C)C4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167458689 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC4(CN(C)C4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167458916 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CNC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167472126 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@@H]4CCN[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167477641 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C[C@H]3C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167483256 JF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C[C@@H]3C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167483611 JF Annotated Mild CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C(N)=O)ccc5n4)c3)cc2C1 ZINC000167952324 JF Annotated Anodyne CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C(N)=O)cc5n4)c3)cc2C1 ZINC000167955930 JF Annotated Anodyne CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C#N)ccc5n4)c3)sc2C1 ZINC000167960543 JF Annotated Mild NC(=O)c1cccc2c(NCc3cccc(NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)c3)ncnc12 ZINC000168127282 JF Annotated Anodyne CCN(CC)C(=O)[C@@H]1C[C@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccnc(C#N)n1 ZINC000168451924 JF Annotated Mild C[C@H]1CCCCC[C@@H](O)C(=O)[C@H](S[C@H]2CC(=O)O[C@H](C)CCCCC[C@@H](O)C2=O)CC(=O)O1 ZINC000169290241 JF Annotated Anodyne CO[C@H]1/C=C\CC/C=C\C(=O)O[C@H]([C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O ZINC000169290484 JF Annotated Mild CO[C@H]1/C=C\CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O ZINC000169290485 JF Annotated Mild CO[C@H]1/C=C/CC/C=C\C(=O)O[C@H]([C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O ZINC000169290486 JF Annotated Mild CO[C@H]1/C=C\[C@@H](C)CC[C@@H]2C[C@H](C[C@](O)([C@@H]3CSC(=O)N3)O2)OC(=O)/C=C(\C)CC[C@@H]1O ZINC000169290613 JF Annotated Anodyne CO[C@H]1/C=C/[C@@H](C)CC[C@@H]2C[C@H](C[C@](O)([C@@H]3CSC(=O)N3)O2)OC(=O)/C=C(\C)CC[C@@H]1O ZINC000169290614 JF Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)[C@@H](O)/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000169290896 JF Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)[C@@H](O)/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000169290897 JF Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)[C@@H](O)/C=C/CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000169290898 JF Annotated Anodyne CN1C[C@@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@@H]3[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C1=O ZINC000169290950 JF Annotated Anodyne CN1C[C@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@@H]3[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C1=O ZINC000169290951 JF Annotated Anodyne CN1C[C@]23C[C@H]4C[C@@H](O[C@@]4(C)C2)[C@@H]3[C@](C)(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C1=O ZINC000169290952 JF Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@@H](C)C(=O)[C@@](C)(O)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169291351 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C\C[C@](C)(O)C1=O ZINC000169291352 JF Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169291353 JF Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000169291354 JF Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169291355 JF Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169292074 JF Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C/C=C\[C@H]3[C@@H]1O ZINC000169292075 JF Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000169292076 JF Annotated Mild CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(CC[C@@H](O)C(C)(C)O)C/C=C(\CO)C(=O)/C=C\[C@@]1(C)O ZINC000169292361 JF Annotated Mild CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(CC[C@@H](O)C(C)(C)O)C/C=C(\CO)C(=O)/C=C\[C@@]1(C)O ZINC000169292362 JF Annotated Mild CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(CC[C@@H](O)C(C)(C)O)C/C=C(/CO)C(=O)/C=C\[C@@]1(C)O ZINC000169292363 JF Annotated Mild C[C@H]1C=C[C@H]2[C@H]1C[C@H]1/C=C\CC/C(O)=C3/C(=O)N[C@H](C3=O)[C@@H](O)CCNC(=O)/C=C\C=C/C[C@H]21 ZINC000169292394 JF Annotated Mild C[C@H]1C=C[C@H]2[C@H]1C[C@H]1/C=C\CC/C(O)=C3/C(=O)N[C@H](C3=O)[C@@H](O)CCNC(=O)/C=C\C=C\C[C@H]21 ZINC000169292395 JF Annotated Mild C[C@H]1C=C[C@H]2[C@H]1C[C@H]1/C=C\CC/C(O)=C3/C(=O)N[C@H](C3=O)[C@@H](O)CCNC(=O)/C=C/C=C\C[C@H]21 ZINC000169292396 JF Annotated Mild C[C@H]1C=C[C@H]2[C@H]1C[C@H]1/C=C\CC/C(O)=C3/C(=O)N[C@H](C3=O)[C@@H](O)CCNC(=O)/C=C/C=C/C[C@H]21 ZINC000169292397 JF Annotated Mild CC[C@]1(C)O[C@@]2(OC[C@@H]([C@@H]3OC(=O)C(O)=C3O)O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000169292487 JF Annotated Anodyne CC[C@]1(C)O[C@]2(OC[C@@H]([C@@H]3OC(=O)C(O)=C3O)O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000169292488 JF Annotated Anodyne CC[C@]1(C)O[C@@]2(OC[C@H]([C@@H]3OC(=O)C(O)=C3O)O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000169292489 JF Annotated Anodyne CC[C@]1(C)O[C@]2(OC[C@H]([C@@H]3OC(=O)C(O)=C3O)O2)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000169292490 JF Annotated Anodyne C[C@H]1C/C=C\[C@H]2C(=O)[C@H](C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](O)/C=C\[C@@](C)(O)C1=O ZINC000169293317 JF Annotated Anodyne C[C@H]1C/C=C\[C@H]2C(=O)[C@H](C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](O)/C=C/[C@@](C)(O)C1=O ZINC000169293318 JF Annotated Anodyne C[C@H]1C/C=C/[C@H]2C(=O)[C@H](C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](O)/C=C\[C@@](C)(O)C1=O ZINC000169293319 JF Annotated Anodyne O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000169293381 JF Annotated Anodyne O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@H](Cc2ccccc2)NC1=O)N[C@@H](CO)Cc1ccccc1 ZINC000169293400 JF Annotated Anodyne C/C1=C/[C@@H](C)C[C@@H](O)/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169293402 JF Annotated Anodyne C/C1=C/[C@@H](C)C[C@@H](O)/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169293403 JF Annotated Anodyne C/C1=C/[C@@H](C)C[C@@H](O)/C=C/CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169293404 JF Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@@H](C)C(=O)[C@@H](CO)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000169293533 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C\C[C@H](CO)C1=O ZINC000169293534 JF Annotated Anodyne CC(C)(C)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000169293590 JF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000169293602 JF Annotated Clean CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000169293604 JF Annotated Clean CCOC(=O)[C@@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000169293606 JF Annotated Clean CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169293915 JF Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169293916 JF Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169293917 JF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000169293918 JF Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169293919 JF Annotated Anodyne C/C1=C/[C@@H](C)[C@H](O)C/C=C/CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000169293921 JF Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@H](CNCc4ccc5oc(=O)ccc5c4)[C@@H](O)C3)c2n1 ZINC000169294027 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@H](CCc4ccccc4)[C@@H](C)O)=N[C@@H](C)[C@@H]3C(=O)N2)cc1OC ZINC000169294074 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@@H](CCc4ccccc4)[C@H](C)O)=N[C@@H](C)[C@@H]3C(=O)N2)cc1OC ZINC000169294075 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@H](CCc4ccccc4)[C@H](C)O)=N[C@@H](C)[C@@H]3C(=O)N2)cc1OC ZINC000169294076 JF Annotated Anodyne C[C@]1(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169294676 JF Annotated Mild C[C@]1(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169294678 JF Annotated Mild COC(=O)[C@@H]1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC[C@@]12OC[C@H](C)O2 ZINC000169294708 JF Annotated Bother COC(=O)[C@H]1C[C@@H]2COC[C@@H](C1)[C@H]2NC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc(Cl)c1C ZINC000169294968 JF Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc(Cl)c1C ZINC000169294969 JF Annotated Anodyne C[C@]1(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000169295067 JF Annotated Anodyne C[C@]1(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000169295068 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000169295232 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@H]2C(=O)N(C(C)C)[C@@H]4C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000169295560 JF Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(O3)[C@H]2C(=O)N(C(C)C)[C@@H]4C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000169295562 JF Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C(C)C)[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)[C@]34C=C[C@H]2O4)c1 ZINC000169295564 JF Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccc(F)cc5)[C@H]34)[C@@H]2C1=O ZINC000169296872 JF Annotated Anodyne COc1ccc(O)c([C@H]2N[C@@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1 ZINC000169298821 JF Annotated Clean O=C(NC[C@H]1COc2ccccc2O1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000169298926 JF Annotated Anodyne COCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000169299215 JF Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000169299356 JF Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000169299358 JF Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000169299359 JF Annotated Anodyne O=C(C[C@H]1C/C=C/CCCCC(=O)OC[C@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000169299471 JF Annotated Anodyne Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCC(C)C)[C@@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@@]2(C)O4)no1 ZINC000169300134 JF Annotated Anodyne Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(CCC(C)C)[C@@H](C(=O)NCc4ccccc4)[C@@]34C=C[C@@]2(C)O4)no1 ZINC000169300136 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000169300569 JF Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000169300570 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000169300571 JF Annotated Anodyne COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000169300572 JF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@@]12O3 ZINC000169301309 JF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@@]3(C)C=C[C@]21O3 ZINC000169301312 JF Annotated Anodyne CN(C(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)C1CCCCC1 ZINC000169301559 JF Annotated Reactive CN(C(=O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)C1CCCCC1 ZINC000169301560 JF Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(N=O)[C@H](c2ccccc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301949 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(N=O)[C@@H](c2ccccc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301950 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(N=O)[C@@H](c2ccccc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000169301951 JF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2 ZINC000169302653 JF Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000169303085 JF Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000169303086 JF Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3cncc(Cl)n3)CC1)[C@@H]1CC[C@@H]2[C@H]2CC[C@H]21 ZINC000169303563 JF Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@H]([C@@H]4CC[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000169303564 JF Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@H]([C@H]4CC[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000169303565 JF Annotated Anodyne O=C1[C@@H]2[C@@H]3CC[C@H]([C@@H]4CC[C@@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000169303567 JF Annotated Anodyne CCCC[C@@H]1C(=O)N(C)CC[C@@H]2CC[C@H](OC)[C@H](COc3c(C#N)cccc3C(=O)N1C)O2 ZINC000169303610 JF Annotated Mild CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cncs4)cc3C(=O)N2C)O1 ZINC000169304170 JF Annotated Anodyne COc1ccc(CCN2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1OC ZINC000169305087 JF Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C/N=C(\S)N5CCN(c6ccccc6)CC5)(O4)[C@@H]3C2=O)cc1 ZINC000169305580 JF Annotated Mild Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C/N=C(\S)N5CCN(c6ccccc6)CC5)(O4)[C@@H]3C2=O)cc1 ZINC000169305584 JF Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2cccs2)N(N=O)[C@@H](c2cccs2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306014 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccs2)N(N=O)[C@@H](c2cccs2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306015 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccs2)N(N=O)[C@@H](c2cccs2)[C@H](C(=O)OCC)S1(=O)=O ZINC000169306016 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)N(N=O)[C@H](c2ccsc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306018 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)N(N=O)[C@@H](c2ccsc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169306020 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)N(N=O)[C@@H](c2ccsc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000169306022 JF Annotated Anodyne CN1CCN(C(=O)c2cccc(-c3ccc4ncc(-c5ccc(S(C)(=O)=O)cc5)n4n3)c2)CC1 ZINC000169306657 JF Annotated Anodyne C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2nc(O)sc2[C@H](c2ccccc2)[C@H]31 ZINC000169306659 JF Annotated Anodyne C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2nc(O)sc2[C@H](c2ccccc2)[C@H]31 ZINC000169306661 JF Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(=O)NS(=O)(=O)C5CC5)c4)nn23)cc1 ZINC000169306663 JF Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(=O)N5CCNCC5)c4)nn23)cc1 ZINC000169306664 JF Annotated Anodyne O[C@H](COCCOC[C@@H](O)Cc1cn(-c2cccnc2)nn1)Cc1ccc(-c2ccccc2)cc1 ZINC000169308000 JF Annotated Anodyne COc1cccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O ZINC000169308788 JF Annotated Clean COc1cccc([C@H]2N[C@@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O ZINC000169308791 JF Annotated Clean COc1ccc(-n2cc(CN3C(=O)[C@@]4(C(C#N)=C(N)OC5=C4C(=O)CCC5)c4ccccc43)nn2)cc1 ZINC000169310543 JF Annotated Reactive COc1ccc(-n2cc(CN3C(=O)[C@]4(C(C#N)=C(N)OC5=C4C(=O)CCC5)c4ccccc43)nn2)cc1 ZINC000169310544 JF Annotated Reactive N#Cc1c(N)nc(SCc2csc(N3CCOCC3)n2)nc1-c1ccc2c(c1)OCO2 ZINC000169312324 JF Annotated Mild COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(Cc2ccc(OC)cc2)C3=N1 ZINC000169314156 JF Annotated Anodyne COC(=O)/C=C/C=C/C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319052 JF Annotated Anodyne CCN1CCN(/C=C2\N=C3CN=C(c4ccccc4F)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1 ZINC000169319691 JF Annotated Bother CCOC(=O)Nc1cc(NC(=O)OCC)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169320183 JF Annotated Reactive C[C@@H]1CN(C(=O)O[C@@]2(C(F)(F)F)CCOC2)CCN1c1ncc(OCc2ccncc2C#N)cn1 ZINC000169322358 JF Annotated Mild C[C@@H]1CN(C(=O)O[C@]2(C(F)(F)F)CCOC2)CCN1c1ncc(OCc2ccncc2C#N)cn1 ZINC000169322361 JF Annotated Mild CN(Cc1cn(Cc2ccc(Cl)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322777 JF Annotated Anodyne CCN1CCC[C@H]1CNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NC[C@H]2CCCN2CC)CC1 ZINC000169323882 JF Annotated Mild CCN1CCC[C@H]1CNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NC[C@@H]2CCCN2CC)CC1 ZINC000169323886 JF Annotated Mild C#CCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000169324289 JF Annotated Mild COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])s2)cc1 ZINC000169324293 JF Annotated Bother C#CCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2sccc2[N+](=O)[O-])cc1 ZINC000169324301 JF Annotated Mild COc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000169325941 JF Annotated Mild O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1C1CCOCC1 ZINC000169326355 JF Annotated Anodyne O=C1C(=O)N(C[C@H](CO)N[C@@H]2C(=O)N(C3CCCCC3)[C@@H]2/C=C/c2ccccc2)c2ccc(F)cc21 ZINC000169328178 JF Annotated Anodyne O=C1C(=O)N(C[C@@H](CO)N[C@@H]2C(=O)N(C3CCCCC3)[C@@H]2/C=C/c2ccccc2)c2ccc(F)cc21 ZINC000169328179 JF Annotated Anodyne C[C@@H]1OC(=O)c2c(O)cc(OCCNc3ccccn3)cc2/C=C\C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C ZINC000169331612 JF Annotated Mild C[C@@H]1OC(=O)c2c(O)cc(OCCNc3ccccn3)cc2/C=C\C[C@H](O)[C@H](O)C(=O)/C=C/[C@H]1C ZINC000169331614 JF Annotated Mild C[C@@H]1OC(=O)c2c(O)cc(OCCNc3ccccn3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/[C@H]1C ZINC000169331617 JF Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O[C@H]3CCCCO3)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000169332004 JF Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O[C@H]3CCCCO3)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000169332005 JF Annotated Anodyne Cc1ccc(C(=O)OC[C@H]2O[C@@H]3[C@H](Oc4nc(=N)ccn43)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000169332345 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1/C(C)=C/[C@@]23O[C@@]2(C[C@H](C)[C@@H]3O)C(=O)[C@H](C)[C@H](O)[C@@H]2[C@H]([C@H]1OC)C2(C)C ZINC000169332375 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1/C(C)=C\[C@@]23O[C@@]2(C[C@H](C)[C@@H]3O)C(=O)[C@H](C)[C@H](O)[C@@H]2[C@H]([C@H]1OC)C2(C)C ZINC000169332377 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1/C(C)=C/[C@@]23O[C@@]2(C[C@@H](C)[C@H]3O)C(=O)[C@H](C)[C@H](O)[C@@H]2[C@H]([C@H]1OC)C2(C)C ZINC000169332393 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1/C(C)=C\[C@@]23O[C@@]2(C[C@@H](C)[C@H]3O)C(=O)[C@H](C)[C@H](O)[C@@H]2[C@H]([C@H]1OC)C2(C)C ZINC000169332395 JF Annotated Anodyne CCCC(=O)Nc1cc(NC(=O)CCC)cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336181 JF Annotated Reactive O=C(Nc1ccccc1F)[C@@H]1[C@@H]2C=C[C@]3(O2)[C@H]1C(=O)N(c1cccnc1)[C@@H]3C(=O)NC1CCCCC1 ZINC000169336695 JF Annotated Anodyne O=C(NC1CCCCC1)[C@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@@H]3C=C[C@]21O3 ZINC000169336697 JF Annotated Anodyne O=C(Nc1ccccc1F)[C@H]1[C@@H]2C(=O)N(c3cccnc3)[C@H](C(=O)NC3CCCCC3)[C@]23C=C[C@H]1O3 ZINC000169336699 JF Annotated Anodyne Cc1cc(C(=O)O)nn1-c1ccc(S(=O)(=O)N2CCC(=O)N(Cc3ccccc3)C2=S)cc1 ZINC000169336855 JF Annotated Anodyne Cc1cc(C(=O)O)nn1-c1ccc(S(=O)(=O)N2CCC(=O)N(c3ccccc3)C2=S)cc1 ZINC000169336859 JF Annotated Anodyne O=C(NCCCN1CCOCC1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000169337293 JF Annotated Anodyne CCOC(=O)/C(C)=C/[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/c1ccco1)NC(C)=O)C(C)(C)C)C(C)C ZINC000169337582 JF Annotated Anodyne CCOC(=O)/C(C)=C/[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/c1ccoc1)NC(C)=O)C(C)(C)C)C(C)C ZINC000169337585 JF Annotated Anodyne CC(=O)N/C(=C\c1ccsc1)C(=O)N[C@H](C(=O)N[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C ZINC000169337603 JF Annotated Anodyne CCOC(=O)CNc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cnc1OC ZINC000169338515 JF Annotated Anodyne CCOC(=O)CNc1nc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC ZINC000169338542 JF Annotated Anodyne CCc1cc(C(C)=O)c(O)cc1OC[C@@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 ZINC000169338653 JF Annotated Bother CCc1cc(C(C)=O)c(O)cc1OC[C@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 ZINC000169338654 JF Annotated Bother CC[C@@H](C(=O)NO)[C@@H](CO)Cc1c[n+](C/C(=N\O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339348 JF Annotated Mild CC[C@H](C(=O)NO)[C@@H](CO)Cc1c[n+](C/C(=N\O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339350 JF Annotated Mild CC[C@@H](C(=O)NO)[C@H](CO)Cc1c[n+](C/C(=N\O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339351 JF Annotated Mild CC[C@H](C(=O)NO)[C@H](CO)Cc1c[n+](C/C(=N\O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339353 JF Annotated Mild C=C1CO[C@]2(O)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@@](O)(CO)C[C@@H](C)C[C@@H](C)CC)[C@]13O[C@H]23 ZINC000169339357 JF Annotated Mild C=C1CO[C@]2(O)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@@](O)(CO)C[C@H](C)C[C@@H](C)CC)[C@]13O[C@H]23 ZINC000169339361 JF Annotated Mild CC#CCN1c2ccccc2[C@@]23CCC(=O)N(Cc4ccco4)C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]13 ZINC000169340705 JF Annotated Mild CC#CCN1c2ccccc2[C@]23CCC(=O)N(Cc4ccco4)C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]13 ZINC000169340709 JF Annotated Mild COc1ccc(Cc2nn3c(-c4ccccc4OCC(=O)N(C)C)csc3nc2=O)cc1 ZINC000169341227 JF Annotated Anodyne COc1ccc(Cc2nn3c(-c4ccc(OCC(=O)N(C)C)cc4)csc3nc2=O)cc1 ZINC000169341233 JF Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000169341598 JF Annotated Mild O=C(C[C@@H]1C/C=C/C[C@@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169343695 JF Annotated Anodyne Cc1ccc(CN2C(=O)CO[C@@H](C)[C@H]2C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345817 JF Annotated Anodyne Cc1ccc(CN2C(=O)CO[C@H](C)[C@H]2C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345818 JF Annotated Anodyne Cc1ccc(CN2C(=O)CO[C@@H](C)[C@H]2C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345824 JF Annotated Anodyne Cc1ccc(CN2C(=O)CO[C@H](C)[C@H]2C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345826 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc(C)c1)N(C)[C@@H]2c1cccc(C)c1 ZINC000169345829 JF Annotated Anodyne COC(=O)[C@@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc(C)c1)N(C)[C@@H]2c1cccc(C)c1 ZINC000169345833 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@@H]32)(OC)OO1 ZINC000169346257 JF Annotated Reactive COC(=O)C[C@H]1CC[C@@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@@H]32)(OC)OO1 ZINC000169346260 JF Annotated Reactive COC(=O)C[C@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@@H]32)(OC)OO1 ZINC000169346264 JF Annotated Reactive CN1C[C@@]2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)C[C@H]2O)OC1=O ZINC000169346692 JF Annotated Anodyne CN1C[C@]2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)C[C@@H]2O)OC1=O ZINC000169346693 JF Annotated Anodyne CN1C[C@@]2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)C[C@@H]2O)OC1=O ZINC000169346694 JF Annotated Anodyne CN1C[C@]2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)C[C@H]2O)OC1=O ZINC000169346695 JF Annotated Anodyne NCCCN(CCCN1CCN(CCC/N=C2\C=CN[C@H]3C=C(Cl)C=C[C@@H]23)CC1)CC1CC1 ZINC000169347484 JF Annotated Mild C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(Cc3ccc(F)cn3)CC2)c1O ZINC000169348316 JF Annotated Reactive C=CCn1c(=O)/c(=C\c2cccc(Br)c2)[nH]c(=O)/c1=C\c1cccc(Br)c1 ZINC000169348710 JF Annotated Mild CCOP(=O)(OCC)[C@@H](O)C1=C(N(C)C)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000169348845 JF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)C1=C(N(C)C)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000169348846 JF Annotated Anodyne O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)N(O)C(=O)[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000169349198 JF Annotated Anodyne O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)N(O)C(=O)[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000169349200 JF Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CCC3(CC1)CN(S(C)(=O)=O)c1ncccc13)C2 ZINC000169349359 JF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(COc4ccccc4F)nn3)CC(=O)[C@@]21C ZINC000169349663 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(COc4ccccc4C)nn3)CC(=O)[C@@]21C ZINC000169349674 JF Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000169349788 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(COc4ccc(C)cc4)nn3)CC(=O)[C@@]21C ZINC000169349881 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(CNc4ccccc4C)nn3)CC(=O)[C@@]21C ZINC000169349883 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(CNc4ccccc4F)nn3)CC(=O)[C@@]21C ZINC000169349884 JF Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(=O)C1CCCCC1)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CCC2=O ZINC000169350105 JF Annotated Mild C[C@H]1COC2(CCN(S(=O)(=O)c3cc(-c4cccc[n+]4[O-])cc(C(F)(F)F)c3)CC2)O1 ZINC000169350160 JF Annotated Anodyne COc1cc(C#N)c2ccc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)c4)CC3)c2c1 ZINC000169350455 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(CNc4ccc(F)cc4)nn3)CC(=O)[C@@]21C ZINC000169351053 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(CNc4ccccc4OC)nn3)CC(=O)[C@@]21C ZINC000169351054 JF Annotated Mild C#CCn1nc(-n2cc(COc3cc(C(F)(F)F)nc(N)n3)nn2)c2ccc(C(F)(F)F)nc21 ZINC000169351943 JF Annotated Mild COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 ZINC000169353411 JF Annotated Mild COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 ZINC000169353413 JF Annotated Mild COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 ZINC000169353415 JF Annotated Mild CC(C)(C)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C/C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000169354814 JF Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169354909 JF Annotated Anodyne COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169354910 JF Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169354911 JF Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(O)c(OC)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169354990 JF Annotated Anodyne COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(O)c(OC)c2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169354991 JF Annotated Anodyne CO[C@H]1/C=C\CC/C=C\C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000169356802 JF Annotated Mild CO[C@H]1/C=C/CC/C=C\C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000169356803 JF Annotated Mild CO[C@H]1/C=C\CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000169356804 JF Annotated Mild O=C1[C@H]2CC[C@@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1c1ccc(F)cc1F ZINC000169357264 JF Annotated Mild O=C1[C@H]2CC[C@@H]3/C(=N/OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C(=O)N1c1ccc(F)cc1F ZINC000169357265 JF Annotated Mild O=C(C[C@H]1C/C=C/C[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)NCCO ZINC000169358893 JF Annotated Anodyne CC(C)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC12C[C@H]3C[C@@H](CC(NCC(=O)O)(C3)C1)C2 ZINC000169359436 JF Annotated Anodyne CC(C)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC12C[C@H]3C[C@@H](CC(NCC(=O)O)(C3)C1)C2 ZINC000169359437 JF Annotated Anodyne CO[C@@H]1[C@H](C)O[C@@H](OC[C@]23C[C@@H]4[C@@H](C)CC[C@@H]4[C@@]4(C#N)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)[C@@H](O)[C@@H]1O ZINC000169359652 JF Annotated Mild CO[C@@H]1[C@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@@H](C)CC[C@@H]4[C@@]4(C#N)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)[C@@H](O)[C@@H]1O ZINC000169359653 JF Annotated Mild CO[C@@H]1[C@H](C)O[C@H](OC[C@]23C[C@@H]4[C@@H](C)CC[C@@H]4[C@@]4(C#N)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)[C@@H](O)[C@@H]1O ZINC000169359654 JF Annotated Mild CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@@H]4[C@@H](C)CC[C@@H]4[C@@]4(C#N)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)[C@@H](O)[C@@H]1O ZINC000169359655 JF Annotated Mild COC(=O)[C@@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccccc1F)N(C)[C@@H]2c1ccccc1F ZINC000169360150 JF Annotated Anodyne CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](OC(C)=O)[C@]34O[C@]3(C)C(=O)O[C@H]4/C=C(\C)CC[C@@H](OC(C)=O)[C@@]12C ZINC000169366220 JF Annotated Anodyne COC(=O)[C@@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc(F)c1)N(C)[C@@H]2c1cccc(F)c1 ZINC000169368896 JF Annotated Anodyne CC(C)=CCN1C([C@H]2CC[C@H]3NCC[C@@H]23)=N[C@@H]2[C@H]1C(=O)N(CC(=O)c1ccccc1)C(=O)N2C ZINC000169369750 JF Annotated Anodyne CC(C)=CCN1C([C@H]2CC[C@H]3NCC[C@@H]23)=N[C@H]2[C@H]1C(=O)N(CC(=O)c1ccccc1)C(=O)N2C ZINC000169369751 JF Annotated Anodyne CCCCCCCCc1ccnc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1 ZINC000169370065 JF Annotated Reactive CCCCCCCCc1ccnc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1 ZINC000169370066 JF Annotated Reactive CCCCCCCCc1ccnc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000169370067 JF Annotated Reactive CCCCCCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000169370068 JF Annotated Reactive C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](OC(=O)CCC(=O)O)/C=C\C(=O)O1 ZINC000169371446 JF Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](OC(=O)CCC(=O)O)/C=C\C(=O)O1 ZINC000169371447 JF Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](OC(=O)CCC(=O)O)/C=C/C(=O)O1 ZINC000169371448 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169373256 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169373257 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169373258 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169373259 JF Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@H](C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N)C[C@@H](C)O1 ZINC000169373425 JF Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@H](C(C)=O)C[C@@H]3O[C@H]1C[C@@H](N)C[C@@H](C)O1 ZINC000169373426 JF Annotated Clean CCOC(=O)C1=C(Nc2ccc(OC)cc2)C(=O)N(c2ccc(OC)cc2)[C@@H]1C(=O)OCC ZINC000169374877 JF Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(OC)cc2)C(=O)N(c2ccc(OC)cc2)[C@H]1C(=O)OCC ZINC000169374878 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000169480594 JF Annotated Mild CC(=O)c1cc(C)c(O)c(C[C@]23Cc4c(O)c(C(C)=O)cc(C)c4O[C@@]2(O)[C@@H](C)OC3=O)c1O ZINC000169541073 JF Annotated Anodyne CC1=C(C)[C@@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O ZINC000169638114 JF Annotated Mild O=C1C=CC[C@H]([C@H](O)[C@H](O[C@H](c2ccccc2)[C@@H](O)[C@H]2CC=CC(=O)O2)c2ccccc2)O1 ZINC000169639266 JF Annotated Anodyne CCN1C(=O)[C@H]2CC(=O)[C@@H]3[C@@H](CN(S(=O)(=O)c4ccc(C)cc4)[C@H]3c3ccccc3)[C@H]2C1=O ZINC000169651933 JF Annotated Anodyne CO[C@H](CC(=O)O)[C@@H](C)C(=O)[C@H](C)/C=C(\C)[C@H]1OC(=O)[C@H](O)[C@H](O)/C=C/[C@H](C)CCC[C@@H]1C ZINC000169654922 JF Annotated Anodyne C[C@H]1CC[C@H]2C(C)(C)OC(=O)C=C[C@]2(C=O)[C@]12C[C@]1(C)[C@@H](C)[C@H]3C(=O)O[C@@]4(C)O[C@@]1(O[C@@H]34)O2 ZINC000169673396 JF Annotated Mild C[C@H](Nc1nc(Nc2ccc([S@@](=N)(=O)CCO)cc2)ncc1Br)C(C)(C)O ZINC000169684861 JF Annotated Anodyne C[C@H](Nc1nc(Nc2ccc([S@](=N)(=O)CCO)cc2)ncc1Br)C(C)(C)O ZINC000169684862 JF Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000169687282 JF Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000169687283 JF Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000169687284 JF Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000169687285 JF Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000169687629 JF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000169687630 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000169687846 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000169687847 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000169687848 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000169687849 JF Annotated Anodyne Cc1c(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)cnn1-c1ccccc1 ZINC000169688102 JF Annotated Anodyne Cc1c(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)cnn1-c1ccccc1 ZINC000169688103 JF Annotated Anodyne Cc1c(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cnn1-c1ccccc1 ZINC000169688104 JF Annotated Anodyne Nc1ncnc2cc(Cl)c(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000169688238 JF Annotated Mild O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccc4nonc4c3)c(=O)n2Cc2ccccc2)c1O ZINC000169688258 JF Annotated Anodyne Cc1cc(CN2CCN(C)CC2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O ZINC000169688261 JF Annotated Anodyne COc1cc([C@@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)cc(OC)c1OC(=O)N1CCOCC1 ZINC000169688898 JF Annotated Mild COc1cc([C@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)cc(OC)c1OC(=O)N1CCOCC1 ZINC000169688899 JF Annotated Mild O=C(N/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000169688924 JF Annotated Reactive CN(C(=O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)C1CCCCC1 ZINC000169689912 JF Annotated Reactive CN(C(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)C1CCCCC1 ZINC000169689913 JF Annotated Reactive CCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000169689930 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccs3)oc12 ZINC000169690222 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccs3)oc12 ZINC000169690223 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccs3)oc12 ZINC000169690224 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccs3)oc12 ZINC000169690225 JF Annotated Anodyne C=CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000169691323 JF Annotated Mild C=CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000169691324 JF Annotated Mild C=CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000169691325 JF Annotated Mild C=CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000169691326 JF Annotated Mild O=C(C[C@H]1C/C=C/C[C@@H](Cc2ccc(F)cc2)C(=O)O[C@H](c2ccccc2)CNC1=O)NCCO ZINC000169693334 JF Annotated Anodyne O=C(N/N=C/[c-]1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000169693957 JF Annotated Reactive CCCS(=O)(=O)Nc1cccc(-c2[nH]c(C3CC3)nc2-c2ccnc(NCCC(N)=O)n2)c1F ZINC000169694700 JF Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695291 JF Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695292 JF Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695293 JF Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695294 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695632 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695633 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695634 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OCCO)cc2)no1 ZINC000169695635 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3cccnc3N3CCOCC3)cc2)no1 ZINC000169696501 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3cccnc3N3CCOCC3)cc2)no1 ZINC000169696502 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3cccnc3N3CCOCC3)cc2)no1 ZINC000169696503 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3cccnc3N3CCOCC3)cc2)no1 ZINC000169696504 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3CCC(N)=O)cc2)no1 ZINC000169696752 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3CCC(N)=O)cc2)no1 ZINC000169696753 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3CCC(N)=O)cc2)no1 ZINC000169696754 JF Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3CCC(N)=O)cc2)no1 ZINC000169696755 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)N1CCOCC1 ZINC000169697263 JF Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccccc1F ZINC000169697477 JF Annotated Mild COc1cccc(S(=O)(=O)Nc2cc(C#Cc3c(C)ncnc3N3CCOCC3)cnc2C)c1 ZINC000169697478 JF Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000169697480 JF Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1c(F)cccc1F ZINC000169697481 JF Annotated Mild Cc1ccccc1S(=O)(=O)Nc1cc(C#Cc2c(C)ncnc2N2CCOCC2)cnc1C ZINC000169697483 JF Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000169697498 JF Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N2CCOC[C@H]2C)cc1NS(=O)(=O)c1ccccc1 ZINC000169697515 JF Annotated Mild Cc1ncc(C#Cc2c(C)ncnc2N2CCOC[C@@H]2C)cc1NS(=O)(=O)c1ccccc1 ZINC000169697516 JF Annotated Mild Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCNCC(F)(F)C3)c(N)s2)c1 ZINC000169699267 JF Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CCNCC(F)(F)C1 ZINC000169699268 JF Annotated Anodyne C/N=C(/[C@@H](C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N)N1CC[C@H](N)CC(F)(F)C1 ZINC000169699297 JF Annotated Mild C/N=C(/[C@H](C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N)N1CC[C@H](N)CC(F)(F)C1 ZINC000169699298 JF Annotated Mild C/N=C(/[C@@H](C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N)N1CC[C@@H](N)CC(F)(F)C1 ZINC000169699299 JF Annotated Mild C/N=C(/[C@H](C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N)N1CC[C@@H](N)CC(F)(F)C1 ZINC000169699300 JF Annotated Mild Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@H](N)[C@H](F)CC1 ZINC000169699331 JF Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3cc(F)ccc3F)sc2N)c1N1CC[C@H](F)[C@H](N)CC1 ZINC000169699336 JF Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCNCC2(CC2)C1 ZINC000169699354 JF Annotated Anodyne CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2C)CC[C@@H]1N ZINC000169699372 JF Annotated Anodyne CO[C@H]1CCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2C)CC[C@@H]1N ZINC000169699373 JF Annotated Anodyne CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4cc(F)ccc4F)sc3N)cnn2C)CC[C@@H]1N ZINC000169699374 JF Annotated Anodyne CO[C@H]1CCN(c2c(NC(=O)c3nc(-c4cc(F)ccc4F)sc3N)cnn2C)CC[C@@H]1N ZINC000169699375 JF Annotated Anodyne CC(=O)N[C@@]1(C)CCCN(c2c(NC(=O)c3nc(-c4ncccc4F)sc3N)cnn2C)CC1 ZINC000169699434 JF Annotated Anodyne CC(=O)N[C@]1(C)CCCN(c2c(NC(=O)c3nc(-c4ncccc4F)sc3N)cnn2C)CC1 ZINC000169699435 JF Annotated Anodyne CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](OC)[C@H](N)CC1 ZINC000169699442 JF Annotated Anodyne CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CC[C@H](N)[C@@H](OC)CC1 ZINC000169699443 JF Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3cc(C#N)ccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1 ZINC000169699496 JF Annotated Mild Cc1cnc(C)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)[C@H](F)CC3)c(N)s2)c1 ZINC000169699499 JF Annotated Anodyne Cc1cc(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)CC(F)(F)C3)c(N)s2)ccn1 ZINC000169699521 JF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(CC(=O)OC(C)C)C1=O ZINC000169700443 JF Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N(CC(=O)OC(C)C)C1=O ZINC000169700444 JF Annotated Mild COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N(CC(C)(C)O)C1=O ZINC000169700477 JF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N(Cc2cnccn2)C1=O ZINC000169700478 JF Annotated Anodyne COCCCOc1ccc2c(c1)[C@@]1(N=C(N)N(CC(F)F)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700493 JF Annotated Anodyne COCCCOc1ccc2c(c1)[C@]1(N=C(N)N(CC(F)F)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700494 JF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OC[C@@H]3CCCO3)cc1[C@@]21N=C(N)N(CC(F)F)C1=O ZINC000169700497 JF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OC[C@H]3CCCO3)cc1[C@@]21N=C(N)N(CC(F)F)C1=O ZINC000169700498 JF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OC[C@@H]3CCCO3)cc1[C@]21N=C(N)N(CC(F)F)C1=O ZINC000169700499 JF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OC[C@H]3CCCO3)cc1[C@]21N=C(N)N(CC(F)F)C1=O ZINC000169700500 JF Annotated Anodyne CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C=O)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1 ZINC000169700689 JF Annotated Mild CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CN)c5cccc(Cl)c5)n4)cnc23)CC1 ZINC000169701262 JF Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@H](CN)c5cccc(Cl)c5)n4)cnc23)CC1 ZINC000169701263 JF Annotated Anodyne CNC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1nc(COC)ccc1Nc1cncnc1 ZINC000169701679 JF Annotated Anodyne CC(C)(O)CNC(=O)c1c(F)cc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 ZINC000169701933 JF Annotated Anodyne CC(C)(O)CNC(=O)c1ccc(F)c(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 ZINC000169701935 JF Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CN=[N+]=[N-])C4)n3)cc2)CC1 ZINC000169702085 JF Annotated Clean Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702578 JF Annotated Anodyne Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCN)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702579 JF Annotated Anodyne Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)c(N)c3)cn2)cn1 ZINC000169703560 JF Annotated Anodyne Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3N)cn2)cn1 ZINC000169703561 JF Annotated Anodyne Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3C#N)cn2)cn1 ZINC000169703572 JF Annotated Mild O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCCN3CCOCC3)nc12 ZINC000169704186 JF Annotated Anodyne CC1(C)OC[C@@H](COc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(N)=O)c3n2)O1 ZINC000169704271 JF Annotated Anodyne CC1(C)OC[C@H](COc2ccc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(N)=O)c3n2)O1 ZINC000169704272 JF Annotated Anodyne Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@@H](S(=O)(=O)C6CC6)C5)c34)cnn2C)cc1 ZINC000169706074 JF Annotated Anodyne Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](S(=O)(=O)C6CC6)C5)c34)cnn2C)cc1 ZINC000169706075 JF Annotated Anodyne CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@@H](S(C)(=O)=O)C5)c34)cnn2C)cc1 ZINC000169706076 JF Annotated Anodyne CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H](S(C)(=O)=O)C5)c34)cnn2C)cc1 ZINC000169706077 JF Annotated Anodyne COC(=O)NC1CN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 ZINC000169706091 JF Annotated Anodyne Cn1ncc(-c2nn(C)c3ncnc(N4CC[C@@H](S(C)(=O)=O)C4)c23)c1-c1ccc(C2CC2)cc1 ZINC000169706097 JF Annotated Anodyne Cn1ncc(-c2nn(C)c3ncnc(N4CC[C@H](S(C)(=O)=O)C4)c23)c1-c1ccc(C2CC2)cc1 ZINC000169706098 JF Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NCCN)ccn34)c12 ZINC000169706566 JF Annotated Anodyne O=C1NC[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)[C@H]1CO ZINC000169707175 JF Annotated Anodyne O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)[C@H]1CO ZINC000169707176 JF Annotated Anodyne O=C(Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1)[C@@H]1CNC(=O)[C@H]1CO ZINC000169707177 JF Annotated Anodyne O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)[C@@H]1CO ZINC000169707178 JF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C(F)(F)F)nn3)c2)c2cncnc21 ZINC000169707674 JF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(-c4ccccn4)nn3)c2)c2cncnc21 ZINC000169707713 JF Annotated Anodyne C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4cccnc4c3)c2)c2cnc(N)nc21 ZINC000169707767 JF Annotated Anodyne C[C@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4cccnc4c3)c2)c2cnc(N)nc21 ZINC000169707769 JF Annotated Anodyne CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cncnc21 ZINC000169707782 JF Annotated Mild C[C@@H](C(N)=O)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707786 JF Annotated Anodyne C[C@H](C(N)=O)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707787 JF Annotated Anodyne CC(CO)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707795 JF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(S(C)(=O)=O)c3)c2)c2cnc(N)nc21 ZINC000169707807 JF Annotated Anodyne CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4ocnc4c3)c2)c2cnc(N)nc21 ZINC000169707816 JF Annotated Anodyne O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1 ZINC000169707830 JF Annotated Anodyne Cc1ccc2ccc(CC(=O)Nc3cncc(C(=O)c4cn(C(CO)CO)c5ncncc45)c3)cc2n1 ZINC000169707832 JF Annotated Anodyne O=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2cn(C3(CO)COC3)c3ncncc23)c1 ZINC000169707853 JF Annotated Anodyne CN(C)C(=O)Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707858 JF Annotated Anodyne CNC(=O)Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707859 JF Annotated Anodyne CC1(n2cc(C(=O)c3cncc(NC(=O)Cn4ccc(C(F)(F)F)n4)c3)c3cncnc32)COC1 ZINC000169707862 JF Annotated Anodyne CS(=O)(=O)Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707864 JF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4(O)CCCC4)nn3)c2)c2cncnc21 ZINC000169707904 JF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nnnc3-c3ccccc3)c2)c2cncnc21 ZINC000169707919 JF Annotated Anodyne COc1nc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn2ccnc12 ZINC000169707960 JF Annotated Anodyne COc1nccn2cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc12 ZINC000169708005 JF Annotated Anodyne Cc1cc2nnc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c(C)n2n1 ZINC000169708014 JF Annotated Anodyne N#Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C4(CO)CC4)c4ncncc34)c2)cc1 ZINC000169708034 JF Annotated Mild O=C(Cc1ccc(Cl)cn1)Nc1cncc(C(=O)c2cn(C3(CO)CC3)c3ncncc23)c1 ZINC000169708035 JF Annotated Anodyne CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cn3)c2)c2cnc(N)nc21 ZINC000169708039 JF Annotated Mild C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cn3cc4ccccc4n3)c2)c2cncnc21 ZINC000169708041 JF Annotated Anodyne COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnc(N)nc21 ZINC000169708054 JF Annotated Anodyne CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ncc(Cl)cc3F)c2)c2cnc(N)nc21 ZINC000169708065 JF Annotated Anodyne CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)c(F)c3)c2)c2cnc(N)nc21 ZINC000169708071 JF Annotated Anodyne Nc1ncc2c(C(=O)c3cncc(NC(=O)Cc4ccc(F)cn4)c3)cn(C34CC(C3)C4)c2n1 ZINC000169708083 JF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn(COP(=O)(O)O)n4)cc3)c2n1 ZINC000169708436 JF Annotated Anodyne Cn1cccc1C(=O)N1CCN(C(=N)Nc2ccc(N3CCC(CCn4cncn4)CC3)cc2)CC1 ZINC000169708438 JF Annotated Anodyne O=C1N=Nc2nc(CN3CCCN(S(=O)(=O)c4cccc(F)c4)CC3)nc3cccc1c23 ZINC000169710183 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCN(Cc3nc4c5c(cccc5n3)C(=O)N=N4)CC2)cc1 ZINC000169710184 JF Annotated Anodyne Cn1cnc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c21 ZINC000169710274 JF Annotated Mild CC(=O)N1CCN(c2ccc(CN3[C@@H](C)CCN(c4ccccc4)S3(=O)=O)c(F)c2)CC1 ZINC000169710356 JF Annotated Clean CC(=O)N1CCN(c2ccc(CN3[C@H](C)CCN(c4ccccc4)S3(=O)=O)c(F)c2)CC1 ZINC000169710357 JF Annotated Clean CC(=O)N1CCN(c2ccc(CN3CCCCN(c4ccccc4)S3(=O)=O)c(F)c2)CC1 ZINC000169710358 JF Annotated Clean CC(=O)N1CCN(c2ccc(CN3CC[C@@H](C)N(c4ccccc4)S3(=O)=O)c(F)c2)CC1 ZINC000169710359 JF Annotated Clean CC(=O)N1CCN(c2ccc(CN3CC[C@H](C)N(c4ccccc4)S3(=O)=O)c(F)c2)CC1 ZINC000169710360 JF Annotated Clean CO[C@H]1CN(c2ncc(C[C@@H](O)CO)cc2Cl)CCN1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000169710875 JF Annotated Anodyne N#Cc1nc(C(=O)NCCC(=O)O)c(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12 ZINC000169710903 JF Annotated Mild N#Cc1nc(C(=O)NCCC(=O)O)c(O)c2cc(Cc3ccccc3)c(=O)n(Cc3ccccc3)c12 ZINC000169710906 JF Annotated Mild O=C(O)CCNC(=O)c1nc(-c2cncc(F)c2)c2ccc(=O)n(Cc3ccccc3)c2c1O ZINC000169710968 JF Annotated Clean O=C(O)CCNC(=O)c1nc(-c2cncc(F)c2)c2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710972 JF Annotated Clean CC(=O)NCCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169710991 JF Annotated Anodyne CCNC(=O)NCCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169710994 JF Annotated Anodyne N#Cc1ccc(-c2cc3c(O)c(C(=O)NCCC(=O)O)ncc3n(Cc3ccccc3)c2=O)cc1 ZINC000169711023 JF Annotated Mild N#Cc1ccc(Cn2c(=O)c(-c3ccccc3)cc3c(O)c(C(=O)NCCC(=O)O)ncc32)cc1 ZINC000169711028 JF Annotated Mild O=C(O)CCNC(=O)c1ncc2c(cc(Cc3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711087 JF Annotated Anodyne COc1ccc(COc2ccn(CC(=O)c3ccc(CN4CCC(O)CC4)cc3C)c(=O)c2)nc1 ZINC000169711371 JF Annotated Anodyne Cc1cc(CN2C[C@H](C)O[C@H](N)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O ZINC000169711442 JF Annotated Anodyne Cc1cc(CN2CCC(O)CC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O ZINC000169711450 JF Annotated Anodyne Cc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711455 JF Annotated Anodyne Cc1cc(CN2CC[C@@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O ZINC000169711460 JF Annotated Anodyne CNCc1ccc(C(=O)Cn2ncc(OCc3ccc(Br)cn3)cc2=O)c(C)c1 ZINC000169711476 JF Annotated Anodyne CN1CC2(C1)CN(c1cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c1Cl)C2 ZINC000169711894 JF Annotated Mild COc1cc(/C=C/C(=O)N2CCC(n3c(=O)nc4cccc[c-]43)CC2)c([N+](=O)[O-])cc1OC ZINC000169717092 JF Annotated Bother COC(=O)c1ccc2c(c1)NC(=O)[C@@H]2/C(=N/C1CCC(NC(=O)CN(C)C)CC1)c1ccccc1 ZINC000169721342 JF Annotated Mild COC(=O)c1ccc2c(c1)NC(=O)[C@H]2/C(=N/C1CCC(NC(=O)CN(C)C)CC1)c1ccccc1 ZINC000169721343 JF Annotated Mild CC(C)(C)OC(=O)NCC(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(=O)c-2c1O ZINC000169721935 JF Annotated Clean Cc1[nH]n(C(=O)c2ccc(N)cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000169722573 JF Annotated Clean Cc1[nH]n(C(=O)c2ccc(O)cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000169722574 JF Annotated Clean O=C1C2=NCCC3(C=C(Br)C(O)C(Br)=C3)[C@@H]2C2=NCCc3c[nH]c1c32 ZINC000169723189 JF Annotated Anodyne O=C1C2=NCCC3(C=C(Br)C(O)C(Br)=C3)[C@H]2C2=NCCc3c[nH]c1c32 ZINC000169723190 JF Annotated Anodyne C=c1c(-c2c(O)c3cc(O)c(O)c(=C(C)C)c3c(O)c2=C)c(O)c2cc(O)c(O)c(=C(C)C)c2c1O ZINC000169724228 JF Annotated Clean CC(C)(C)OC(=O)NCCN/C=C1\C(=O)CC[C@@]2(C)c3cc4c(cc3C(=O)C(=O)[C@@H]12)C(=O)C=CC4=O ZINC000169724439 JF Annotated Mild CC(C)(C)OC(=O)NCCN/C=C1\C(=O)CC[C@@]2(C)c3cc4c(cc3C(=O)C(=O)[C@H]12)C(=O)C=CC4=O ZINC000169724440 JF Annotated Mild Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1cc[n+]([O-])c2ccccc12 ZINC000169724680 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C(=O)C(=C=N)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)c1ccccc1 ZINC000169728489 JF Annotated Mild CC(C)(C)OC(=O)N[C@H](C(=O)C(=C=N)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](N)c1ccccc1 ZINC000169728490 JF Annotated Mild O=S(=O)(Nc1cccc(B(O)O)c1)c1ccc(-c2cc(C(F)(F)F)n(C(F)(F)F)n2)s1 ZINC000169879910 JF Annotated Reactive O=C(OC[C@H](O)[C@@H]1O[C@@H](c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@@H]1O)c1ccccc1 ZINC000017158767 JF Annotated Anodyne O=C(OC[C@@H]1O[C@H](c2ccccc2)O[C@H]([C@@H](O)COC(=O)c2ccccc2)[C@H]1O)c1ccccc1 ZINC000017158771 JF Annotated Anodyne O=C(OC[C@@H]1O[C@H](c2ccccc2)O[C@H]([C@H](O)COC(=O)c2ccccc2)[C@H]1O)c1ccccc1 ZINC000017158774 JF Annotated Anodyne COc1cc([C@H]2C(C(=O)O)=C(COC(C)=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O ZINC000017176660 JF Annotated Anodyne CO[C@@H]1C[C@@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000017187696 JF Annotated Mild CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000017187699 JF Annotated Mild CO[C@H]1C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000017187702 JF Annotated Mild Cc1cccc(C)c1NC(=O)CCCC(=O)C1/C(=N/NC(=O)CC#N)CCC/C1=N\NC(=O)CC#N ZINC000017191896 JF Annotated Reactive N#CCC(=O)N/N=C(\C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CN(c2ccccc2)N=C1N ZINC000017195638 JF Annotated Reactive OC[C@H](O)[C@@H](O)[C@@H](O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000017196121 JF Annotated Anodyne OC[C@H](O)[C@H](O)[C@@H](O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000017196124 JF Annotated Anodyne O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)OCN1C(=O)[C@H]2C=CC=C[C@@H]2C1=O ZINC000017200697 JF Annotated Anodyne COC(=O)C[C@@H](C(C(=O)OC)C(=O)OC)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216249 JF Annotated Anodyne COC(=O)C[C@H](C(C(=O)OC)C(=O)OC)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216252 JF Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1ccc2cc(Br)c([N+](=O)[O-])cc21 ZINC000017216457 JF Annotated Bother CC(=O)O[C@H]1CO[C@@H](n2ccc3cc(Br)c([N+](=O)[O-])cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017216459 JF Annotated Bother CC(=O)O[C@H]1CO[C@H](n2ccc3cc(Br)c([N+](=O)[O-])cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017216464 JF Annotated Bother Cc1ccc(S(=O)(=O)C2=c3nc4ccccc4cc3=C3C(=O)c4ccccc4C(=O)[C@@H]32)cc1 ZINC000017219224 JF Annotated Clean Cc1c(/N=N/c2ccc(Cl)cc2)c(C)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#N ZINC000017252514 JF Annotated Mild Cc1c(/N=N/c2ccc(Cl)cc2)c(C)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#N ZINC000017252519 JF Annotated Mild N#Cc1c2c(c(-c3cccs3)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCc1ccccc1-2 ZINC000017260787 JF Annotated Mild N#Cc1c2c(c(-c3cccs3)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCc1ccccc1-2 ZINC000017260791 JF Annotated Mild N#Cc1c2c(c(-c3cccs3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCc1ccccc1-2 ZINC000017260795 JF Annotated Mild N#Cc1c2c(c(-c3cccs3)n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCc1ccccc1-2 ZINC000017260799 JF Annotated Mild C[Si](C)(C)C#Cc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000170062109 JF Annotated Mild O=C1[C@H]2C[C@@H](n3nc(O)n(Cc4ccccc4)c3=O)C=C[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000017747990 JF Annotated Anodyne C[C@H](O)c1ccc([C@@H](O)/C(=N\NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 ZINC000017835510 JF Annotated Reactive C[C@@H](O)c1ccc([C@@H](O)/C(=N\NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 ZINC000017968404 JF Annotated Reactive N#C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 ZINC000018118085 JF Annotated Reactive O=C1[C@H]2C[C@H](n3nc(O)n(Cc4ccccc4)c3=O)C=C[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000018252235 JF Annotated Anodyne Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12 ZINC000018275342 JF Annotated Anodyne in-vivo Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000019220989 JF Annotated Anodyne O=C(c1ccco1)N1CCN([C@H](c2ccccc2Cl)c2nnnn2C[C@@H]2CCCO2)CC1 ZINC000019347832 JF Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H](c2ccccc2Cl)c2nnnn2C[C@@H]2CCCO2)CC1 ZINC000019347835 JF Annotated Anodyne O=C(c1ccco1)N1CCN([C@H](c2ccccc2Cl)c2nnnn2C[C@H]2CCCO2)CC1 ZINC000019347836 JF Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H](c2ccccc2Cl)c2nnnn2C[C@H]2CCCO2)CC1 ZINC000019347838 JF Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@@H]([C@H]4CC[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000194947145 JF Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@H]([C@@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1)[C@@H]1CC[C@H]31 ZINC000194947157 JF Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O[C@H]3CCCCO3)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000194972527 JF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019529507 JF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000019529595 JF Annotated Clean COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000019592409 JF Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(Cc1ccccc1Cl)CC2 ZINC000019740627 JF Annotated Anodyne O=C(NCc1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2)c1cccc(F)c1 ZINC000019744354 JF Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(Cc1cccc(Cl)c1)CC2 ZINC000019744861 JF Annotated Anodyne CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(C#CC(C)(C)O)o2)CCO3)CC1 ZINC000019746023 JF Annotated Mild O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1N=Cc2oc(Br)cc2B1O ZINC000195042132 JF Annotated Anodyne C/C1=C\[C@@H](C)[C@H](O)[C@@H](O)/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000195125386 JF Annotated Anodyne C/C1=C\[C@@H](C)[C@H](O)[C@@H](O)/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000195125405 JF Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@@H](C)C(=O)[C@](C)(O)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000195151942 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C\C[C@@](C)(O)C1=O ZINC000195151955 JF Annotated Anodyne O=C(NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000195215380 JF Annotated Anodyne O=C(O)CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H]2[C@@H](c3ccccc3)c3sc(O)nc3S[C@@H]21 ZINC000195217715 JF Annotated Anodyne O=C(O)CCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000195217727 JF Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@@H](C)C(=O)[C@H](CO)C/C=C\[C@H]3[C@@H]2O[C@]12C ZINC000195219291 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C\C[C@@H](CO)C1=O ZINC000195219308 JF Annotated Anodyne CC(=O)NC(CCc1ccc(C#CC#CC#C[Si](C)(C)C)cc1)(COC(C)=O)COC(C)=O ZINC000195229402 JF Annotated Mild O=C(NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000195229675 JF Annotated Anodyne C/C1=C\[C@@H](C)[C@H](O)C/C=C\CC/C=C\C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000195235549 JF Annotated Anodyne C/C1=C\[C@@H](C)[C@H](O)C/C=C\CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000195235561 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000195288293 JF Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@@H]1[C@@H]2CC(=O)[C@H](c3cc(O)ccc32)[C@@H]1C(=O)OCCN1CCOCC1 ZINC000195318224 JF Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@H]1[C@@H]2CC(=O)[C@H](c3cc(O)ccc32)[C@@H]1C(=O)OCCN1CCOCC1 ZINC000195318235 JF Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@H]1[C@@H](C(=O)OCCN2CCOCC2)[C@@H]2C(=O)C[C@H]1c1ccc(O)cc12 ZINC000195318244 JF Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@@H]1[C@@H](C(=O)OCCN2CCOCC2)[C@@H]2C(=O)C[C@H]1c1ccc(O)cc12 ZINC000195318253 JF Annotated Anodyne Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCC(C)C)[C@H](C(=O)NCc4ccccc4)[C@]34C=C[C@]2(C)O4)no1 ZINC000195375186 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000195378150 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000195378159 JF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccccc3F)[C@]3(C)C=C[C@]21O3 ZINC000195390102 JF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccccc3F)[C@]3(C)C=C[C@@]12O3 ZINC000195390111 JF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@]3(C)C=C[C@]21O3 ZINC000195390117 JF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@]3(C)C=C[C@]21O3 ZINC000195390125 JF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@]3(C)C=C[C@]21O3 ZINC000195390264 JF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@]3(C)C=C[C@@]12O3 ZINC000195390271 JF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3)[C@]3(C)C=C[C@]21O3 ZINC000195390280 JF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1N(c2cccnc2)C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3)[C@]3(C)C=C[C@]21O3 ZINC000195390288 JF Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000195398083 JF Annotated Anodyne O=C(C[C@@H]1C/C=C/C[C@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000195398087 JF Annotated Anodyne COCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000195402631 JF Annotated Anodyne O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H]2[C@@H](c3ccc(F)cc3)c3sc(O)nc3S[C@@H]21 ZINC000195405275 JF Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccc(F)cc5)[C@H]34)[C@@H]2C1=O ZINC000195405282 JF Annotated Anodyne CO[C@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 ZINC000195411101 JF Annotated Reactive CO[C@@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 ZINC000195411110 JF Annotated Reactive CO[C@]12O[C@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 ZINC000195411121 JF Annotated Reactive CO[C@@]12O[C@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 ZINC000195411129 JF Annotated Reactive CC(C)N1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 ZINC000195435753 JF Annotated Anodyne CC(C)N1C[C@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 ZINC000195435760 JF Annotated Anodyne CC(C)=CCC/C(C)=C\CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000195442699 JF Annotated Mild CC(C)=CCC/C(C)=C\CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000195442706 JF Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000195442712 JF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N/OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@H]3[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000195499865 JF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@H]3[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000195499867 JF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N/OCc4ccccc4)C[C@H](O)[C@@H](O)[C@H]3[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000195499869 JF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@H](O)[C@@H](O)[C@H]3[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000195499872 JF Annotated Mild CC1(C)O[C@@H]2O[C@@H]([C@@H](COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])[C@@H](OC(=O)c3ccccc3)[C@@H]2O1 ZINC000195516413 JF Annotated Unstable CC1(C)O[C@@H]2O[C@H]([C@@H](COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])[C@@H](OC(=O)c3ccccc3)[C@@H]2O1 ZINC000195516415 JF Annotated Unstable CC1(C)O[C@@H]2[C@H](O[C@H]([C@@H](COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])[C@H]2OC(=O)c2ccccc2)O1 ZINC000195516417 JF Annotated Unstable CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N ZINC000195958097 JF Annotated Reactive CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@H](OC(C)=O)[C@@]3(O)[C@H](/C=C(/C)CC[C@H](OC(C)=O)[C@@]12C)OC(=O)[C@@H]3C ZINC000197329354 JF Annotated Anodyne COC(=O)[C@]12CC3=CC[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3Cc3ccccc3[C@H]1CNC2=O ZINC000198017939 JF Annotated Anodyne NC(=O)c1cc(Nc2ccccc2-c2cc3[nH]c(=O)c(CCCN=C(N)N)nc3o2)c2ccccc2n1 ZINC000198633578 JF Annotated Mild CN1[C@H]2C[C@H]3[C@@H]4C[C@]5(O[C@@H](CO)CC5=O)O[C@]4(C)OC[C@H]3[C@@H]1Cc1c2n(C)c2ccccc12 ZINC000198797668 JF Annotated Anodyne CN1[C@H]2C[C@H]3[C@@H]4C[C@@]5(O[C@H](CO)CC5=O)O[C@]4(C)OC[C@H]3[C@@H]1Cc1c2n(C)c2ccccc12 ZINC000198797696 JF Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200934 JF Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200946 JF Annotated Anodyne O=C1NC[C@H](CCCCN2CCN(CCC3CCCCC3)C(=O)C2=O)N(CC2CCCCC2)C1=O ZINC000199203151 JF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000199205190 JF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCN(C(=O)C3CC3)CC1)C2 ZINC000199205484 JF Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2 ZINC000199205835 JF Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OCC)CCC=C3N(Cc3ccccc3)C2=O)CC1 ZINC000199205899 JF Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000199205938 JF Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCN(C(=O)C3CC3)CC1)C2 ZINC000199218521 JF Annotated Anodyne O=C1NC[C@@H](CCCCN2CCN(CCC3CCCCC3)C(=O)C2=O)N(CC2CCCCC2)C1=O ZINC000199226331 JF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1CCc1c[nH]c2ccccc12 ZINC000199237185 JF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1CCc1c[nH]c2ccccc12 ZINC000199237198 JF Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000199241219 JF Annotated Anodyne O=S(=O)(O)Oc1cccc2c1[C@H](O)[C@@H](Cl)[C@@H](O)C21Oc2cccc3cccc(c23)O1 ZINC000199270685 JF Annotated Reactive CN1c2ccccc2[C@@]23C[C@H]4C(=O)N5[C@@H](C[C@]6(C)c7ccccc7N(C[C@@]7(C)O[C@@H]7C2)[C@H]56)C(=O)N4[C@H]13 ZINC000199302526 JF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 ZINC000199355699 JF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 ZINC000199355719 JF Annotated Anodyne CCc1ccc([C@H]2[C@@H]3C(=O)C[C@@H]4C(=O)N(C)C(=O)[C@@H]4[C@@H]3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000199361082 JF Annotated Anodyne CC[C@@]12C=C(C)[C@@H]3[C@H](C)[C@H](O[C@H]4CC[C@@H](O)[C@@H](C)O4)C4=CC(=O)C=C(O1)[C@]43NC(=O)C(C)=C2O ZINC000199652539 JF Annotated Mild COc1cc(N2C[C@@]3(O)CC[C@@H](O)[C@@H](OC)[C@@H]3[C@@](C)(O)[C@@H]2CC=C(C)C)cc(OC)c1OC ZINC000199724175 JF Annotated Clean N=C(N)c1ccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc1 ZINC000002047636 JF Annotated Anodyne in-vivo COc1cc(/C=N/NC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)cc(OC)c1O ZINC000002090215 JF Annotated Reactive COc1ccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000002373528 JF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000002373533 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@@H]3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccnc3)oc12 ZINC000002412586 JF Annotated Anodyne COc1cccc2cc(C(=O)[C@H]3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccnc3)oc12 ZINC000002412587 JF Annotated Anodyne CCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000002432428 JF Annotated Anodyne CCCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000002432435 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCC(C)CC3)c21 ZINC000002456191 JF Annotated Anodyne CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456203 JF Annotated Anodyne CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456205 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)c21 ZINC000002457150 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)c21 ZINC000002457158 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)c21 ZINC000002457159 JF Annotated Anodyne O=C(CCS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccccc2Cl)CC1 ZINC000002457711 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCC[C@@H](C)C3)c21 ZINC000002458885 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3cccs3)c21 ZINC000002458886 JF Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCCC3)c21 ZINC000002459316 JF Annotated Anodyne CC1CCN(CCNS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)CC1 ZINC000002459319 JF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccco3)c21 ZINC000002461311 JF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCCCC3)c21 ZINC000002461318 JF Annotated Anodyne COc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NC3CCCC3)c2=O)CCC4)c(OC)c1 ZINC000002461893 JF Annotated Anodyne COc1cc(OC)cc(-n2c(=O)c3sccc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)c1 ZINC000002466817 JF Annotated Anodyne O=c1c2c3c(sc2n(Cc2cc(=O)n4ccccc4n2)c(=O)n1Cc1ccccc1)CCC3 ZINC000002467540 JF Annotated Anodyne CC1(C)CC(n2c(=O)c3cc4c(=O)n(C5CC(C)(C)NC(C)(C)C5)c(=O)c4cc3c2=O)CC(C)(C)N1 ZINC000002472734 JF Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCOCCO)c(OC)c1OC ZINC000002480243 JF Annotated Anodyne O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480262 JF Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC ZINC000002480268 JF Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@H](O)CO)c([N+](=O)[O-])cc1OC ZINC000002482060 JF Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@@H](O)CO)c([N+](=O)[O-])cc1OC ZINC000002482063 JF Annotated Bother COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCOCCO)c(OC)c1OC ZINC000002483128 JF Annotated Anodyne O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002483165 JF Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC ZINC000002483171 JF Annotated Bother Cc1cccc2c1NC(=O)[C@H](C(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)C2=O ZINC000002486007 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000002486142 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000002486228 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000002486348 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487276 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487278 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487280 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487282 JF Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492619 JF Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492621 JF Annotated Anodyne O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000002493587 JF Annotated Anodyne COc1ccc(CCNS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1OC ZINC000002493984 JF Annotated Anodyne COCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000002494039 JF Annotated Anodyne Cc1sc2ncn(CC(=O)NC3CCCCC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000002494407 JF Annotated Anodyne CCCCN(CC)C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O ZINC000002494423 JF Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1ccc(F)cc1 ZINC000002496110 JF Annotated Bother CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)C1 ZINC000002496483 JF Annotated Anodyne CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)C1 ZINC000002496487 JF Annotated Anodyne CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)CC1 ZINC000002496505 JF Annotated Anodyne CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)[C@@H](C)C3)CC1 ZINC000002496532 JF Annotated Anodyne CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)[C@H](C)C3)CC1 ZINC000002496534 JF Annotated Anodyne CN(CCO)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000002497965 JF Annotated Anodyne Cc1ccc(-n2c3c(cc(C(=O)NCCCN4CCOCC4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000020058154 JF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C[C@@H]3CCCO3)C(=O)[C@H]24)cc1 ZINC000020106879 JF Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C[C@@H]3CCCO3)C(=O)[C@H]24)cc1 ZINC000020106881 JF Annotated Anodyne CCOc1ccc(-n2cc(C(=O)N3CCN(C)CC3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000020107331 JF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020112891 JF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CCCO3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020112897 JF Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(C)cc3)[C@@H]4C2=O)cc1OC ZINC000020113617 JF Annotated Anodyne COc1cc2c(cc1OC)[C@H](/C(O)=N/CCCN1CCN(C)CC1)[C@H](c1cccnc1)N(C)C2=O ZINC000020113814 JF Annotated Mild O=c1cc(/C(O)=N/Cc2ccc3c(c2)OCO3)c2cc(S(=O)(=O)N3CCCCC3)ccc2[nH]1 ZINC000020136574 JF Annotated Mild COc1ccc(OC)c([C@H](c2nnnn2CCC(C)C)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000020142029 JF Annotated Anodyne COc1ccc(OC)c([C@@H](c2nnnn2CCC(C)C)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000020142032 JF Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020150580 JF Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(O)c(OC)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000020150660 JF Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(O)c(OC)c2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000020150662 JF Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000020150732 JF Annotated Anodyne CCc1cc(C(=O)N2CCOc3ccc(CN4CCN(Cc5ccccn5)CC4)cc3C2)no1 ZINC000020201359 JF Annotated Anodyne COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(Cc1cc(C)c(C)cc1C)CC2 ZINC000020209279 JF Annotated Anodyne CCOC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)CC1 ZINC000020215954 JF Annotated Anodyne CCCN1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000020322950 JF Annotated Anodyne Cc1c(C(=O)NC2CCCCC2)c(C)n2cnn(CC(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000020388304 JF Annotated Anodyne Cc1c(C(=O)NC2CCCCC2)c(C)n2cnn(CC(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000020388310 JF Annotated Anodyne Cc1c(C(=O)NC2CCCCC2)c(C)n2cnn(CC(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)c(=O)c12 ZINC000020388322 JF Annotated Anodyne Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N3CCN(C4CCCCC4)CC3)cc2s1 ZINC000020414626 JF Annotated Anodyne COc1cc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)ncn1 ZINC000020416053 JF Annotated Anodyne Cn1nc(C(=O)N2CCCN(Cc3ccccc3F)C2)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000020488577 JF Annotated Anodyne COc1c2c(c(C)c3c1[C@@H](O)[C@H]1[C@](C)(C[C@@H](O)[C@]45O[C@](OC)(CC[C@]14C)OC5(C)C)O3)COC2=O ZINC000200206168 JF Annotated Anodyne O=C(O)C[C@@H](NC(=O)c1c[nH]c2cc(Br)c(OC(=O)c3ccc(O)cc3)cc12)C(=O)O ZINC000200326677 JF Annotated Anodyne CCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@@H]3[C@]2(C)CC[C@H](OC(C)=O)[C@]3(C)C(=O)OC)[C@H]1C ZINC000200465951 JF Annotated Anodyne O=C(O)[C@H]1CCC(=O)N1Cc1c(Br)c(O)c(O)c(Br)c1Br ZINC000200742112 JF Annotated Clean O=C(c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl)N1CCN(CCO)CC1 ZINC000201418649 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000201431207 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@@H](O)[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000201431239 JF Annotated Anodyne Cc1ccccc1N1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1 ZINC000201450743 JF Annotated Anodyne CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c1 ZINC000201462806 JF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCCCOC ZINC000201477371 JF Annotated Anodyne COCCCNC(=O)C[C@H]1C(=O)N(Cc2ccc(OC)cc2)C2=CCCCC[C@@]21C(=O)OC ZINC000201477721 JF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000201480494 JF Annotated Anodyne COC(=O)c1cn(-c2ccc3c(c2)[C@@]2(CC(=O)N(C)[C@@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000201481452 JF Annotated Anodyne COC(=O)c1cn(-c2ccc3c(c2)[C@@]2(CC(=O)N(C)[C@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000201481487 JF Annotated Anodyne COC(=O)C[C@H]1C(C)(C)C(=O)C=C2O[C@H]3[C@H]([C@@]21C)[C@@](C)(O)[C@@]12O[C@@H]1C[C@@H](c1ccoc1)[C@]2(C)[C@H]3O ZINC000201559493 JF Annotated Mild COc1ccc2nccc(NC(=O)C3(OC)CCN(C[C@@H](O)c4ccc5c(c4)OCCO5)CC3)c2n1 ZINC000202969390 JF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCOCC1 ZINC000203455878 JF Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCOCC1 ZINC000203456071 JF Annotated Anodyne C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2ccco2)C1=O ZINC000203458042 JF Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)N3CCOCC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458111 JF Annotated Anodyne C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2ccco2)C1=O ZINC000203459656 JF Annotated Mild C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccco2)C1=O ZINC000203461843 JF Annotated Mild COC(=O)[C@H]1C[C@@]2(N3CCCCC3)c3ccccc3N[C@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000203463805 JF Annotated Bother COCCCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464199 JF Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCCc2ccccc2OC)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464267 JF Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C(=O)N(CCCOC)C2=CCCCC[C@]21C(=O)OC ZINC000203464294 JF Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464845 JF Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCCCN2CCCC2=O)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464890 JF Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)OCC)CC2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464923 JF Annotated Mild C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CSCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000203465372 JF Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CSCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000203465378 JF Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466495 JF Annotated Mild CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCCc1ccccc1OC ZINC000203466691 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4cc(N5CCOCC5)ccc4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000203467207 JF Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000203468960 JF Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469249 JF Annotated Mild COc1ccc(S[C@]2(C(=O)NCCCN(C)C)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470064 JF Annotated Anodyne COC(=O)c1cn(-c2ccc3c(c2)[C@]2(CC(=O)N(C)[C@@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470809 JF Annotated Anodyne COC(=O)c1cn(-c2ccc3c(c2)[C@]2(CC(=O)N(C)[C@H]2c2ccccc2)C(=O)N3CC(C)C)nn1 ZINC000203470814 JF Annotated Anodyne CCCCN1CC(=O)N2[C@H](C[C@@]3(C)c4ccccc4N(S(=O)(=O)c4ccccc4)[C@@H]23)C1=O ZINC000203471061 JF Annotated Anodyne C/C(=C/c1[nH]c(N)[n+](CC2CC2)c1Cc1ccccc1)Cn1[nH]c(=O)n(-c2ccccc2)c1=O ZINC000203471486 JF Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000203472349 JF Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000203472594 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000203473793 JF Annotated Anodyne O=C(CN1CCc2onc(-c3ccc(-n4cc(C5=CCCCC5)nn4)cc3)c2C1=O)N1CCOCC1 ZINC000203474351 JF Annotated Anodyne CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@H]1CC(CC(=O)[C@@H]2[C@@H](O)CCC[C@H]2C)=C(C)C(=O)[C@@]1(C)O ZINC000203526699 JF Annotated Mild CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@H]1CC(CC(=O)[C@H]2[C@@H](O)CCC[C@H]2C)=C(C)C(=O)[C@@]1(C)O ZINC000203526700 JF Annotated Mild O=C(NCC#Cc1ccc2ncc3[nH]cnc3c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O ZINC000204224140 JF Annotated Mild CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)cc3)C3CC3)no2)cn1 ZINC000204647856 JF Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)OC(C)C)C(C)C)ccc1OC ZINC000204864030 JF Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)NCc3ccccn3)cc2)n1 ZINC000204947203 JF Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)NCc3ccncc3)cc2)n1 ZINC000204947278 JF Annotated Mild COC(=O)C1=C(CN2CC(F)(F)C[C@H]2C(=O)O)NC(c2nccs2)=N[C@@]1(C)c1ccc(F)cc1 ZINC000204999199 JF Annotated Anodyne in-vitro Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NCCN1CCOCC1)[C@H]2O ZINC000020504612 JF Annotated Anodyne Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@H](C)C(=O)NCCN1CCOCC1)[C@H]2O ZINC000020504615 JF Annotated Anodyne Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc1CC2 ZINC000020510580 JF Annotated Anodyne Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc1CC2 ZINC000020510582 JF Annotated Anodyne C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000020511536 JF Annotated Anodyne C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000020511539 JF Annotated Anodyne C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000020511541 JF Annotated Anodyne C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000020511544 JF Annotated Anodyne CC(C)Cc1cc(C(=O)N2CCN(Cc3noc(CCC(=O)N(C)C4CCCCC4)n3)CC2)no1 ZINC000020562467 JF Annotated Anodyne CC(C)Cc1cc(C(=O)N2CCN(Cc3noc(CCC(=O)N4CCCCCC4)n3)CC2)no1 ZINC000020562569 JF Annotated Anodyne Cc1nn([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563343 JF Annotated Anodyne Cc1nn([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563345 JF Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(C)cs2)CC1 ZINC000020582288 JF Annotated Anodyne CC1CCN(c2c(NCc3ccc(C(=O)NC[C@@H]4COc5ccccc5O4)cc3)c(=O)c2=O)CC1 ZINC000020760844 JF Annotated Anodyne aggregator CC1CCN(c2c(NCc3ccc(C(=O)NC[C@H]4COc5ccccc5O4)cc3)c(=O)c2=O)CC1 ZINC000020760850 JF Annotated Anodyne aggregator CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2noc4c2CCCC4)CCO3)CC1 ZINC000020777490 JF Annotated Anodyne COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(Cc1ccc3nsnc3c1)CC2 ZINC000020994358 JF Annotated Anodyne C/C(=N\OCCO)c1ccc2nnc(Sc3ccc4ncc(N5CCOCC5)cc4c3)n2c1 ZINC000205009345 JF Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@H]3CC[C@H](N4CC5(CCC5)C4)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000205009688 JF Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@H]3CC[C@@H](N4CC5(CCC5)C4)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000205009724 JF Annotated Mild C/C(=N\OCCO)c1ccc2nnc(Sc3ccc4ncc(N5CCN(C)CC5)cc4c3)n2c1 ZINC000205017670 JF Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)c(CO)c2)n1 ZINC000205072115 JF Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)[C@H](O)[C@@H]([C@@]2(C)CO2)[C@@H]2[C@@H]([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)C[C@@H]12 ZINC000205158293 JF Annotated Mild O=C(NCC1CCOCC1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205209520 JF Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCN3C(C(=O)Nc4ccc(F)c(Cl)c4)=COC3=NC2=O)cc1 ZINC000205214047 JF Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)o2)c1 ZINC000205215588 JF Annotated Anodyne COc1ccc(CN2CCN(c3ncc(C(=O)Nc4cccc(NS(C)(=O)=O)c4)o3)C2=O)cc1 ZINC000205215691 JF Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)C2=CN3CCN(Cc4cccc(Cl)c4)C(=O)N=C3O2)c1 ZINC000205219680 JF Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCN3C(C(=O)Nc4cccc(Cl)c4)=COC3=NC2=O)cc1 ZINC000205226854 JF Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)C2=COC3=NC(=O)N(Cc4cccc(Cl)c4)CCN23)c1 ZINC000205226955 JF Annotated Anodyne CC1=C[C@@H](/C=C(\C)CCCC2=CCN(CC(=O)O)C2=O)[C@]2(OC(=O)[C@@](C)(O)C2=O)[C@@H]2[C@@H](C)CC[C@@H]12 ZINC000205229385 JF Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)c2coc(N3CCN(Cc4ccccc4)C3=O)n2)c1 ZINC000205231131 JF Annotated Anodyne N#Cc1cccc(CN2CCN3C(C(=O)Nc4ccc(-n5cccn5)cc4)=COC3=NC2=O)c1 ZINC000205232349 JF Annotated Mild Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=C(C(=O)N6CCC(F)(F)C6)C=C[C@@H]5N4)c3N)cc2[nH]1 ZINC000205251181 JF Annotated Mild Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=C(C(=O)N6CCC(F)(F)C6)C=C[C@@H]5N4)c3N)cc2[nH]1 ZINC000205251200 JF Annotated Mild Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=C(C(=O)N6CCC(F)(F)C6)C=C[C@H]5N4)c3N)cc2[nH]1 ZINC000205251217 JF Annotated Mild Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=C(C(=O)N6CCC(F)(F)C6)C=C[C@H]5N4)c3N)cc2[nH]1 ZINC000205251229 JF Annotated Mild CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000205371434 JF Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2C(C)=C[C@@H](OC(C)=O)[C@@H]3C(C)(C)OC(C)=O)[C@]2(C)O[C@@]1(O)C[C@@H]2OC(C)=O ZINC000205380674 JF Annotated Mild CC[C@]1(c2cc(O)c3oc4cc(OC)cc(O)c4c(=O)c3c2O)C(=O)OCC2=C1CCOC2=O ZINC000205465572 JF Annotated Bother CC(C)CC(F)(F)c1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCOCC1)CC2(C)C ZINC000205465909 JF Annotated Anodyne CCCC(F)(F)c1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCOCC1)CC2(C)C ZINC000205465963 JF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccc(F)cc3F)cc21 ZINC000205480886 JF Annotated Anodyne O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCC(F)(F)F)cn1 ZINC000205543183 JF Annotated Mild O[C@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCC(F)(F)F)cn1 ZINC000205543196 JF Annotated Mild CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CNC[C@@H]5CC4=O)cn3)nc2n1C1CCCC1 ZINC000205543215 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CNC[C@@H]5CC4=O)cn3)nc2n1C1CCCC1 ZINC000205543230 JF Annotated Anodyne CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CNC[C@H]5CC4=O)cn3)nc2n1C1CCCC1 ZINC000205543246 JF Annotated Anodyne Cc1c([C@@H](O)CN2CCCC[C@@H]2CN[C@@H](CO)c2ccc3c(c2C)COC3=O)ccc2c1COC2=O ZINC000205634763 JF Annotated Anodyne Cc1c([C@@H](O)CN2CCCC[C@H]2CN[C@@H](CO)c2ccc3c(c2C)COC3=O)ccc2c1COC2=O ZINC000205634779 JF Annotated Anodyne COc1ncc(F)cc1[C@@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000205815437 JF Annotated Mild O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1C[C@H](F)CN1C(=O)OCc1cnc2ccccc2c1 ZINC000205825669 JF Annotated Anodyne O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1C[C@@H](F)CN1C(=O)OCc1cnc2ccccc2c1 ZINC000205828098 JF Annotated Anodyne CO[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC(Br)=NO2)N(C(=O)OCc2cnc3ccccc3c2)C1 ZINC000205828122 JF Annotated Anodyne CCCC(=O)O[C@]1(C)CC[C@H]2O[C@@H]1[C@@H]1[C@@H]([C@@H](C)CO)CC[C@@](C)(OC(C)=O)[C@@H]1C(=O)C[C@]2(C)O ZINC000205846790 JF Annotated Anodyne CCOC(=O)[C@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1CC(=O)OC ZINC000205858695 JF Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1CC(=O)OC ZINC000205858712 JF Annotated Anodyne CCOC(=O)/C(C#N)=C/C(=C(\O)c1cc(OC)c(OC)c(OC)c1)[n+]1ccc(N(C)C)cc1 ZINC000205878852 JF Annotated Reactive O=S(=O)(N1CC[C@@]23C1=CC=C[C@@H]2N(S(=O)(=O)C(F)(F)F)c1ccccc13)C(F)(F)F ZINC000206037853 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)c1 ZINC000206040848 JF Annotated Anodyne C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042467 JF Annotated Bother COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000206063596 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065105 JF Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000206065883 JF Annotated Anodyne O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(=O)[nH]c56)(CC3)OC4)nc2N1 ZINC000206095686 JF Annotated Anodyne COCCN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1 ZINC000206203944 JF Annotated Anodyne CCNC(=O)[C@H]1C[C@@H](n2ccc3c(N[C@H](CC)Cc4sccc4Cl)ncnc32)[C@H](O)[C@@H]1O ZINC000206502865 JF Annotated Anodyne in-man N#Cc1ccc(/C=C/C(=O)N(C2CCCC2)[C@@H]2C(=O)NC(=O)N(Cc3ccccc3)[C@@H]2N)cc1 ZINC000206890885 JF Annotated Anodyne N#Cc1ccc(/C=C/C(=O)N(C2CCCC2)[C@@H]2C(=O)NC(=O)N(Cc3ccccc3)[C@H]2N)cc1 ZINC000206890973 JF Annotated Anodyne CSc1c(CCNC(=O)c2cc(Br)c(O)c(Br)c2)n(C)c[n+]1C ZINC000207162045 JF Annotated Anodyne COc1ccc2nccc(NC(=O)C3(OC)CCN(C[C@H](O)c4ccc5c(c4)OCCO5)CC3)c2n1 ZINC000207164896 JF Annotated Anodyne Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 ZINC000207513787 JF Annotated Anodyne CC(C)Oc1ncc(OCc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2F)cc1Cl ZINC000207540944 JF Annotated Anodyne COc1cc(C(=O)N2CC[C@@H](O)[C@@H](N)C2)cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12 ZINC000208164547 JF Annotated Anodyne in-vitro C=CCn1c(Cc2csc(NC(=O)CCN3C(=O)NC(=O)[C@H]4CCCC[C@H]43)n2)n[nH]c1=S ZINC000210200088 JF Annotated Anodyne C=CCn1c(Cc2csc(NC(=O)CCN3C(=O)NC(=O)[C@H]4CCCC[C@@H]43)n2)n[nH]c1=S ZINC000210200120 JF Annotated Anodyne C=CCn1c(Cc2csc(NC(=O)CCN3C(=O)NC(=O)[C@@H]4CCCC[C@H]43)n2)n[nH]c1=S ZINC000210200153 JF Annotated Anodyne C=CCn1c(Cc2csc(NC(=O)CCN3C(=O)NC(=O)[C@@H]4CCCC[C@@H]43)n2)n[nH]c1=S ZINC000210200187 JF Annotated Anodyne O=C(Nc1nc2ccc(CO)cc2[nH]1)c1cccc(Cn2nc(-c3cccnc3)ccc2=O)c1 ZINC000212481591 JF Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1C[C@H](OC(C)=O)C[C@]21CO1 ZINC000212591660 JF Annotated Anodyne COc1ncc(F)cc1[C@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000213606610 JF Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C(F)(F)F)no1 ZINC000215739895 JF Annotated Mild Cc1nc2ccccc2n1Cc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2 ZINC000215754546 JF Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1[C@H](O)c1cc(F)cc(F)c1 ZINC000215766455 JF Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1[C@@H](O)c1cc(F)cc(F)c1 ZINC000215766502 JF Annotated Mild O=C(NS(=O)(=O)N1CC(O)C1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216202429 JF Annotated Anodyne Cc1cc(C)c(CNC(=O)c2cc(Br)nc3c2cnn3C2CCOCC2)c(=O)[nH]1 ZINC000216237274 JF Annotated Anodyne CCO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)C[C@@H]1CN ZINC000217114872 JF Annotated Mild CCO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)C[C@H]1CN ZINC000217114893 JF Annotated Mild CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4c(=O)nc[nH]c34)cc2)CC1 ZINC000217622195 JF Annotated Anodyne Cn1cc(C2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc45)cc3)CC2)cn1 ZINC000217629226 JF Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(Br)cn4)[C@H]2C3)n1 ZINC000218375525 JF Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O ZINC000218512493 JF Annotated Anodyne O=C(Nc1nc2c(Cl)cccc2s1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000218516217 JF Annotated Anodyne COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)nc(N2C[C@H]2C)n1 ZINC000218617079 JF Annotated Anodyne CN1CCCC[C@@H](NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1=O ZINC000218626742 JF Annotated Anodyne Cn1cc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)N3CC[C@]4(C)c5cccc(O)c5C[C@@H]3C4(C)C)C2)cn1 ZINC000218798954 JF Annotated Anodyne CNCC(=O)N1CCc2c(nc(-n3c(CN)cc4ccccc43)nc2NCc2ccccc2)C1 ZINC000218990962 JF Annotated Anodyne CCC(F)(F)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CC[C@@H](F)C1 ZINC000219003881 JF Annotated Anodyne CS(=O)(=O)N1CCc2c(nc(-n3c(CN)cc4ccccc43)nc2NCc2ccccc2)C1 ZINC000219003975 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2C[C@@](C)(c3ccccc3)c3ccc(C#N)cc32)[C@@H](Cn2cccn2)CN1 ZINC000219006467 JF Annotated Mild C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](Cn2cc(F)cn2)CN1 ZINC000219010121 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Oc4ccccc4Cl)cc32)[C@@H](C(=O)N(C)C)CN1 ZINC000219010622 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2C[C@](C)(c3ccccc3)c3ccc(C#N)cc32)[C@@H](Cn2cccn2)CN1 ZINC000219010986 JF Annotated Mild C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc32)[C@@H](Cn2cc(F)cn2)CN1 ZINC000219013882 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(F)(F)CC4CC4)cc32)[C@@H](CN2CCOCC2)CN1 ZINC000219016008 JF Annotated Anodyne CC[C@@H]1COCCN1C[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(C(F)(F)CC)cc21 ZINC000219018388 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc32)[C@@H](CN2CCCC2=O)CN1 ZINC000219019699 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(C(F)(F)c4ccccc4)cc32)[C@@H](C(=O)N(C)C)CN1 ZINC000219021316 JF Annotated Anodyne CC(C)C(F)(F)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O ZINC000219021533 JF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc([C@H](OC)c3ccccc3)cc21 ZINC000219023013 JF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc([C@@H](OC)c3ccccc3)cc21 ZINC000219023087 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](C(=O)N2CCCCC2)CN1 ZINC000219024267 JF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(S(=O)(=O)Cc3ccccc3)cc21 ZINC000219026774 JF Annotated Anodyne CCC(F)(F)c1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCOC[C@H]1C)CC2(C)C ZINC000219026866 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(C)(F)F)cc32)[C@@H](CN2CCc3cccnc32)CN1 ZINC000219033329 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(F)(F)C4CCC4)cc32)[C@@H](CN2CCCC2=O)CN1 ZINC000219035491 JF Annotated Anodyne CC[C@@H]1COCCN1C[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(C(C)(F)F)cc21 ZINC000219047381 JF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](C(=O)N2CCCC2)CN1 ZINC000219047683 JF Annotated Anodyne CN1C(=O)Cc2ccc(-c3cc(F)c(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3F)cc21 ZINC000219294189 JF Annotated Mild CN1C(=O)Cc2ccc(-c3cc(F)c(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3F)cc21 ZINC000219294212 JF Annotated Mild N#C[C@H](Cc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219296028 JF Annotated Mild C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(C#N)cccc2c(=O)n1-c1cc(F)cc(F)c1 ZINC000219296114 JF Annotated Anodyne COCCN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 ZINC000219296636 JF Annotated Mild CN(C)CCN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 ZINC000219302951 JF Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(C[C@@H]3CCCCO3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219308622 JF Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(C[C@H]3CCCCO3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219308648 JF Annotated Mild CS(=O)(=O)c1cc(-c2cc(F)c(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)ccc1C#N ZINC000219310173 JF Annotated Mild CS(=O)(=O)c1cc(-c2cc(F)c(C[C@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)ccc1C#N ZINC000219310204 JF Annotated Mild N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CCOCC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219313862 JF Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(CC3CCOCC3)c2)c(F)c1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219315336 JF Annotated Mild CC(=O)N1CCC(Cn2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cn2)CC1 ZINC000219316725 JF Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(CC3CCOCC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219317383 JF Annotated Mild COc1cccc(-c2cn(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)nn2)c1 ZINC000219321025 JF Annotated Mild CN1C(=O)Cc2ccc(-c3cc(F)c(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 ZINC000219321367 JF Annotated Mild CN1C(=O)Cc2ccc(-c3cc(F)c(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc21 ZINC000219321396 JF Annotated Mild CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3n[nH]nc3c2)[nH]1 ZINC000219321955 JF Annotated Anodyne NC(=O)c1nc2n(c1[C@@H](O)c1ccn[nH]1)C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2 ZINC000219448504 JF Annotated Mild NC(=O)c1nc2n(c1[C@H](O)c1ccn[nH]1)C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2 ZINC000219448573 JF Annotated Mild Cn1cncc1[C@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2 ZINC000219458256 JF Annotated Mild Cn1cncc1[C@@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2 ZINC000219458324 JF Annotated Mild CN(C)[C@H]1COc2cc(F)c(C#C[C@@](C)(O)c3ccccn3)cc2-c2nc(C(N)=O)sc21 ZINC000219488858 JF Annotated Mild CN(C)[C@H]1COc2cc(F)c(C#C[C@](C)(O)c3ccccn3)cc2-c2nc(C(N)=O)sc21 ZINC000219488931 JF Annotated Mild CN(C)[C@@H]1COc2cc(F)c(C#C[C@@](C)(O)c3ccccn3)cc2-c2nc(C(N)=O)sc21 ZINC000219488996 JF Annotated Mild CN(C)[C@@H]1COc2cc(F)c(C#C[C@](C)(O)c3ccccn3)cc2-c2nc(C(N)=O)sc21 ZINC000219489072 JF Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cc4ccnn4C)n2C2CC3C2)no1 ZINC000219492675 JF Annotated Mild Cn1nccc1[C@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2 ZINC000219511876 JF Annotated Mild Cn1nccc1[C@@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2 ZINC000219511950 JF Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)[C@@H]1CC1(F)F ZINC000219542764 JF Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)[C@H]1CC1(F)F ZINC000219542813 JF Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OC[C@@H](N(C)C)c2sc(C(N)=O)nc2-3)no1 ZINC000219546929 JF Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OC[C@H](N(C)C)c2sc(C(N)=O)nc2-3)no1 ZINC000219560356 JF Annotated Mild Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)NC(=O)NC4=O)cc2)cn1 ZINC000219618032 JF Annotated Anodyne Cc1cc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)on1 ZINC000219771001 JF Annotated Anodyne Cc1cc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)on1 ZINC000219771058 JF Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#Cc3ccncc3)ccc1-2 ZINC000219795085 JF Annotated Mild O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#Cc3ccncc3)ccc1-2 ZINC000219795161 JF Annotated Mild O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#Cc3cccnc3)ccc1-2 ZINC000219818944 JF Annotated Mild O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#Cc3cccnc3)ccc1-2 ZINC000219819018 JF Annotated Mild C/C(=N\OCCO)c1ccc2nnc(Sc3ccc4ncc(CN5CCOCC5)cc4c3)n2c1 ZINC000219863155 JF Annotated Mild C[C@@H]1O[C@@H](O[C@H](C)CCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219962893 JF Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963576 JF Annotated Anodyne in-vitro NC(=O)c1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)c1 ZINC000219968558 JF Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)c1 ZINC000219968606 JF Annotated Anodyne CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)C1CCC1 ZINC000220010121 JF Annotated Mild O=C(Nc1nc2cc(Cl)ccc2s1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000220103885 JF Annotated Anodyne CCc1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)no1 ZINC000220155011 JF Annotated Anodyne CCc1nc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)no1 ZINC000220155068 JF Annotated Anodyne CCN(CC)CC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220158041 JF Annotated Mild CCN(CC)CC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220158114 JF Annotated Mild CCCCNCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220160889 JF Annotated Mild CCCCNCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220160962 JF Annotated Mild O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(NCc3ncco3)ccc1-2 ZINC000220168689 JF Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(NCc3ncco3)ccc1-2 ZINC000220168755 JF Annotated Anodyne CCN(CC)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ccccc3O2)nc1=O ZINC000220184678 JF Annotated Anodyne CCN(CC)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ccccc3O2)nc1=O ZINC000220184739 JF Annotated Anodyne CCC(O)(C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O)CC ZINC000220193697 JF Annotated Mild CCC(O)(C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O)CC ZINC000220193773 JF Annotated Mild Cc1cc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)nn1C ZINC000220195467 JF Annotated Anodyne Cc1cc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)nn1C ZINC000220195536 JF Annotated Anodyne CNC(=O)c1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220202736 JF Annotated Anodyne CNC(=O)c1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220202794 JF Annotated Anodyne CCC[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220204522 JF Annotated Mild CCC[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220204581 JF Annotated Mild CCC[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220204644 JF Annotated Mild CCC[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220204711 JF Annotated Mild COc1ncc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220230127 JF Annotated Anodyne COc1ncc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220230207 JF Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CC3(O)CCCC3)ccc1-2 ZINC000220252098 JF Annotated Mild O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CC3(O)CCCC3)ccc1-2 ZINC000220252169 JF Annotated Mild OC[C@@H](O)CN1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1 ZINC000220326679 JF Annotated Anodyne OC[C@H](O)CN1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1 ZINC000220326757 JF Annotated Anodyne N#C[C@H](Cc1ccc(-n2cc(COc3ccccc3)nn2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000220465986 JF Annotated Mild COc1ccc(-c2cn(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)nn2)cc1OC ZINC000220466080 JF Annotated Mild COc1ccccc1-c1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000220466325 JF Annotated Mild CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4[nH]c(=O)cnc34)cc2)CC1 ZINC000220502227 JF Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CCCO)CC1 ZINC000220603259 JF Annotated Anodyne COC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)n1 ZINC000220781612 JF Annotated Anodyne CCOC(=O)c1nc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)cs1 ZINC000220822762 JF Annotated Anodyne CN1CCN(C(=O)c2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cs2)CC1 ZINC000220833616 JF Annotated Mild N#Cc1c(N)nc(N)nc1N[C@H](c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1)C1CC1 ZINC000220883766 JF Annotated Anodyne in-vitro COc1cccc(-n2nccn2)c1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221041093 JF Annotated Anodyne COc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1 ZINC000221041575 JF Annotated Anodyne N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000221118162 JF Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000221118283 JF Annotated Mild N#C[C@H]1C[C@@H](C(=O)N2CC3(COC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221142764 JF Annotated Mild CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCc1nn[nH]n1 ZINC000221146577 JF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cc(F)c(S(=O)(=O)c3ccccc3)cc21 ZINC000221249477 JF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3cccc(OC)c3)cc21 ZINC000221250402 JF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccc(OC)cc3)cc21 ZINC000221250761 JF Annotated Anodyne Cc1cnn(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC3(Cc4ccccc4C3)c3ccc(C#N)cc32)c1 ZINC000221255342 JF Annotated Mild COc1ccc(-c2nc(C(N)=O)c3[nH]c4cc(C(=O)N5CC[C@@H](N(C)C)C5)ccc4c3n2)cc1F ZINC000221258828 JF Annotated Anodyne COc1ccc(-c2nc(C(N)=O)c3[nH]c4cc(C(=O)N5CC[C@H](N(C)C)C5)ccc4c3n2)cc1F ZINC000221258881 JF Annotated Anodyne O=C(c1ncc(NS(=O)(=O)c2cccc3cccnc23)cn1)N1CCC(O)(c2ccccc2)CC1 ZINC000221269564 JF Annotated Anodyne C[C@H](O)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221271473 JF Annotated Anodyne C[C@@H](O)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221271522 JF Annotated Anodyne Cn1ccc(C2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc45)cc3)CC2)n1 ZINC000221278573 JF Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4ncc(=O)[nH]c34)cc2)CC1 ZINC000221282076 JF Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3c[nH]c(=O)c4cccnc34)cc2)CC1 ZINC000221282643 JF Annotated Anodyne CN(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221284510 JF Annotated Anodyne CC(C)C[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000221368761 JF Annotated Mild CC(C)C[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000221368822 JF Annotated Mild CC(C)C[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000221368877 JF Annotated Mild CC(C)C[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000221368930 JF Annotated Mild C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3nc4ccccc4[nH]3)c2)c2cncnc21 ZINC000221759594 JF Annotated Anodyne CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221884188 JF Annotated Mild CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221884355 JF Annotated Mild CCN[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221884396 JF Annotated Mild CCN[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221884461 JF Annotated Mild N#C[C@@H]1C[C@H](C(=O)N2CC3(COC3)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221890752 JF Annotated Mild CC(C)Oc1ccc(-c2cn(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3)nn2)nc1 ZINC000221914938 JF Annotated Mild O=S1(=O)CCc2nc(N/N=C/c3cccc(Cl)c3Cl)nc(N3CCOCC3)c2C1 ZINC000222055087 JF Annotated Mild C=CC(=O)N1C[C@@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1c1nnc(C)o1 ZINC000222816146 JF Annotated Mild CN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222973219 JF Annotated Mild CN(C)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222973279 JF Annotated Mild CCN[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222973496 JF Annotated Mild CCN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222973560 JF Annotated Mild CN([C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)S(C)(=O)=O ZINC000222983191 JF Annotated Mild CN([C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)S(C)(=O)=O ZINC000222983258 JF Annotated Mild NC(=O)[C@@H]1CN(c2nc(N3[C@H]4CC[C@H]3COC4)nc3scc(-c4ccccc4Cl)c23)CCN1 ZINC000223007766 JF Annotated Anodyne CC(C)c1csc2nc(N3CC[C@@H](C(N)=O)C3)nc(N3CCC(CN(C)[C@@H]4CCN(C)C4)CC3)c12 ZINC000223010379 JF Annotated Anodyne CNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1 ZINC000223259040 JF Annotated Anodyne O=C(NCc1ccc(S(=O)(=O)C2CCN(C3CCOCC3)CC2)cc1)c1cc2cnccc2[nH]1 ZINC000223601021 JF Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(N)c3N)cc2)CC1 ZINC000224373685 JF Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2cn[nH]c2)CC1 ZINC000224392467 JF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cn1 ZINC000224720839 JF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)C4CC4)CC3)cc2F)cn1 ZINC000224722269 JF Annotated Anodyne N#CCCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1 ZINC000224725055 JF Annotated Mild Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)C3CCS(=O)(=O)CC3)cc2F)cn1 ZINC000224747713 JF Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(N)=O ZINC000224752890 JF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CCS(=O)(=O)CC3)cc2F)cn1 ZINC000224767043 JF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(=O)(=O)N3CCNC(=O)C3)cc2F)cn1 ZINC000224769782 JF Annotated Anodyne CC(C)(CO)CNS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1 ZINC000224790611 JF Annotated Mild Cc1ncc(CNS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)c(N)n1 ZINC000224791537 JF Annotated Anodyne N#Cc1nc(N)cnc1-c1ccc(-c2ccc(C(F)(F)F)cc2S(=O)(=O)NCCO)cc1F ZINC000224799802 JF Annotated Mild Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)(C(F)(F)F)C3)cc2F)cn1 ZINC000224818986 JF Annotated Anodyne O=C1C=C/C(=C\NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C(O)=C1 ZINC000022919341 JF Annotated Reactive COC1=C/C(=C/NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C=CC1=O ZINC000022919894 JF Annotated Reactive CN1CCN(Cc2ccc(N(C)C(=O)c3cc(-c4ccc5c(c4)OCO5)c[nH]c3=O)cc2)CC1 ZINC000022935303 JF Annotated Anodyne O[C@@H](CNc1ncnc2[nH]cnc12)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022935792 JF Annotated Anodyne O[C@H](CNc1ncnc2[nH]cnc12)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022935795 JF Annotated Anodyne CN(C[C@@H](O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ncnc2nc[nH]c12 ZINC000022935807 JF Annotated Anodyne CN(C[C@H](O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ncnc2nc[nH]c12 ZINC000022935810 JF Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3ccnc3)ncnc21 ZINC000022937580 JF Annotated Anodyne O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3ccnc3)ncnc21 ZINC000022937583 JF Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccn3)ncnc21 ZINC000022937587 JF Annotated Anodyne O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccn3)ncnc21 ZINC000022937590 JF Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc(-n2cccn2)c2ncnc1-2 ZINC000022937617 JF Annotated Anodyne CCN1CCN(CCNC(=O)CCc2c(C)c3c(C)nn(-c4cccc(C)c4)c3n(CC)c2=O)CC1 ZINC000022938982 JF Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCc3cccnc3N3CCOCC3)nccc2c1 ZINC000225041153 JF Annotated Anodyne C=CC(=O)N1C[C@@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1c1nnco1 ZINC000225151449 JF Annotated Mild Cc1nnn(C23C[C@H]4C[C@@H](CC(COc5cc(F)c(C(=O)NS(C)(=O)=O)cc5Cl)(C4)C2)C3)n1 ZINC000225255247 JF Annotated Anodyne CNS(=O)(=O)CC(=O)N1C[C@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)C[C@H]2C1 ZINC000226055506 JF Annotated Anodyne CNS(=O)(=O)CC(=O)N1C[C@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)C[C@@H]2C1 ZINC000226055514 JF Annotated Anodyne CNS(=O)(=O)CC(=O)N1C[C@@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)C[C@H]2C1 ZINC000226055529 JF Annotated Anodyne CNS(=O)(=O)CC(=O)N1C[C@H]2CC(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)=C[C@H]2C1 ZINC000226055540 JF Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1 ZINC000226066649 JF Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3CCN(CC(=O)N4CC(O)C4)CC3)cc12 ZINC000226069233 JF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N4CCC[C@H]4C(N)=O)CC3)cc12 ZINC000226069569 JF Annotated Anodyne COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN(CC(=O)N4CC(O)C4)CC3)c(C#N)c12 ZINC000226070414 JF Annotated Mild COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN(CC(=O)N4CC(O)C4)CC3)cc12 ZINC000226079843 JF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@@H]4CN(CC(=O)N5CC(O)C5)C[C@@H]4C3)cc12 ZINC000226087381 JF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H]4CN(CC(=O)N5CC(O)C5)C[C@@H]4C3)cc12 ZINC000226087398 JF Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2nccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1 ZINC000226087758 JF Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000226653159 JF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C[C@@H]3CCCO3)C(=O)[C@H]24)cc1 ZINC000226656022 JF Annotated Anodyne O=C(OC[C@]1(O)[C@@H](O)[C@H](OC(=O)c2ccccc2)C=C[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000229763770 JF Annotated Anodyne C[C@@H]1CC[C@H]2C(CN3CCN(CCO)CC3)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000023249281 JF Annotated Reactive CC[C@@H](C)[C@@H]1Oc2ccc(cc2)/C=C/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000230064664 JF Annotated Anodyne in-man CC[C@H](C)[C@@H]1Oc2ccc(cc2)/C=C/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000230064670 JF Annotated Anodyne in-man CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccnc2)C1 ZINC000230069857 JF Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccnc2)C1 ZINC000230069871 JF Annotated Anodyne Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230081151 JF Annotated Anodyne in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230081157 JF Annotated Anodyne in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230081162 JF Annotated Anodyne in-man Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230081166 JF Annotated Anodyne in-man CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@@]4(C)C3=C(C(=O)O[C@@H]4c3ccoc3)[C@@]2(O)[C@]2(C)OC(=O)C[C@H]12 ZINC000230083386 JF Annotated Anodyne in-man CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@@]4(C)C3=C(C(=O)O[C@@H]4c3ccoc3)[C@@]2(O)[C@@]2(C)OC(=O)C[C@H]12 ZINC000230083394 JF Annotated Anodyne in-man CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@@]4(C)C3=C(C(=O)O[C@@H]4c3ccoc3)[C@@]2(O)[C@]2(C)OC(=O)C[C@@H]12 ZINC000230083401 JF Annotated Anodyne in-man CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@@]4(C)C3=C(C(=O)O[C@@H]4c3ccoc3)[C@@]2(O)[C@@]2(C)OC(=O)C[C@@H]12 ZINC000230083410 JF Annotated Anodyne in-man C=C(C)C1=C[C@@]23O[C@@]4(C(=O)C=C(OC)C(=O)[C@@H]14)[C@@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000230100689 JF Annotated Mild in-man C=C(C)C1=C[C@]23O[C@@]4(C(=O)C=C(OC)C(=O)[C@@H]14)[C@@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000230100693 JF Annotated Mild in-man C=C(C)C1=C[C@@]23O[C@]4(C(=O)C=C(OC)C(=O)[C@@H]14)[C@@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000230100699 JF Annotated Mild in-man C=C(C)C1=C[C@]23O[C@]4(C(=O)C=C(OC)C(=O)[C@@H]14)[C@@H]2Oc1c2c(cc(O)c1C3=O)OC(C)(C)C=C2 ZINC000230100706 JF Annotated Mild in-man CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@@]2(O)CCl ZINC000230102526 JF Annotated Reactive in-man CC(=O)OC[C@]12[C@@H](CC[C@H](OC(C)=O)[C@]13CO3)[C@](C)([C@H]1C[C@@H]3C=CO[C@@H]3O1)[C@@H](C)C[C@H]2OC(C)=O ZINC000230540609 JF Annotated Anodyne in-vitro COc1ccc2ncc(Cl)c(CCN3CC[C@@H](NCc4cc5c(cn4)OCS5)[C@H](O)C3)c2n1 ZINC000230566799 JF Annotated Anodyne COc1ccc2ncc(Cl)c(CCN3CC[C@H](NCc4cc5c(cn4)OCS5)[C@@H](O)C3)c2n1 ZINC000230566819 JF Annotated Anodyne COc1ccc2ncc(F)c(CCN3CC[C@@H](NC(=O)c4cc5c(s4)CCC5)[C@@H](O)C3)c2n1 ZINC000230567076 JF Annotated Anodyne COc1ccc(-c2cn(C)c(=O)c3cc(C(=O)NC4CCS(=O)(=O)CC4)sc23)cc1OC ZINC000231374576 JF Annotated Anodyne in-vitro CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000023847000 JF Annotated Anodyne CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000023847003 JF Annotated Anodyne CCCCn1c(N)c(N(C(=O)CSc2nnc(C)n2-c2ccccc2)C2CCCC2)c(=O)[nH]c1=O ZINC000023873400 JF Annotated Anodyne Cc1ccc(OCC(=O)N(Cc2ccco2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1C ZINC000023936669 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](C[C@@H](O)C6=CC=CC(=O)[C@@]65C)[C@]3(O)CC[C@@H]42)C1 ZINC000238730818 JF Annotated Mild C=C1[C@@H](O)C[C@@H]2[C@H]1C[C@@]1(COC(C)=O)CC[C@@](O)(C(C)C)[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C ZINC000238731407 JF Annotated Mild C/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/[C@H](O)[C@@H](O)[C@@H]1C ZINC000238731461 JF Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238731909 JF Annotated Mild CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H]([C@H](C)CC)N(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238731952 JF Annotated Anodyne CC1(C)O[C@H]2CC(=O)O[C@]2(C)[C@H]1CC(=O)C[C@@H]1C(=O)CC[C@]23C[C@]12[C@H](O)O[C@H]3c1ccoc1 ZINC000238732335 JF Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@@H]2[C@](C)(O)C=CC(=O)[C@]12C ZINC000238732682 JF Annotated Mild C=C[C@@](C)(O)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@@H]1OC(=O)/C=C/C(C)=C/[C@H](CO)CCO ZINC000238732687 JF Annotated Mild C=C1C(=O)[C@]23[C@H](O)C[C@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]4(C)[C@H]2CC[C@@H]1[C@H]3OC(C)=O ZINC000238733156 JF Annotated Mild CC[C@H](C)CC(=O)O[C@H]1OC=C(COC(C)=O)C2=C[C@@H](OC(=O)CC(C)C)[C@@](O)(COC(C)=O)[C@@H]21 ZINC000238733170 JF Annotated Anodyne C[C@H]1C[C@]2(OC(=O)c3ccccc3)C(=O)[C@@]3(C)[C@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O)C(C)(C)[C@@H]4O ZINC000238733215 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@@H](O)C5=CC=CC(=O)[C@@]54C)[C@@H]4CC[C@]2(O)[C@]43C)C1 ZINC000238733862 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000238734277 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C(=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000238734285 JF Annotated Mild CC1=C(CO)C[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O ZINC000238734295 JF Annotated Mild C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](OC(=O)CC(C)C)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238734437 JF Annotated Mild CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4[C@H](OC(C)=O)CO[C@H]4O3)[C@H]1CCC[C@]21CO1 ZINC000238735075 JF Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/[C@H](O)C[C@@H]1C ZINC000238735085 JF Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238735827 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000238735850 JF Annotated Anodyne CC(C)CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](O)[C@@H](O)C[C@]3(CO)C2=O)[C@]1(C)CCO ZINC000238735919 JF Annotated Anodyne CC(=O)OC/C=C(\COC(C)=O)C[C@H](/C=C(\C)C[C@H](/C=C(\C)C=O)OC(C)=O)OC(C)=O ZINC000238736310 JF Annotated Reactive CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238736929 JF Annotated Mild CC(C)CCCCCCCCCCCCCCOC[C@H](O)COC1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238737469 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(C)=O ZINC000238737667 JF Annotated Anodyne C=C1[C@@H](O)C[C@H]2[C@@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]3[C@]4(CC[C@]3(C(C)C)O[C@H]4OC(C)=O)C[C@@]12C ZINC000238737955 JF Annotated Mild CCC1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](N)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O ZINC000238738046 JF Annotated Clean CC(=O)O[C@H]1[C@H]2[C@@H](Cc3occc3[C@@]2(C)O)[C@]2(C)[C@H](OC(C)=O)C[C@@H](C)[C@]3(C)O[C@@]32[C@@H]1OC(C)=O ZINC000238738263 JF Annotated Anodyne CO[C@H]([C@H](C)[C@H](O)CC(=O)O)C(C)(C)C(=O)[C@H](C)C[C@H](C)[C@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C=C(C)C ZINC000238738586 JF Annotated Anodyne CC(=O)OCC(COC(C)=O)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238738731 JF Annotated Clean CC(=O)Oc1c(C)cc2c(c1O)C(=O)C(C1=CC(=O)c3cc(C)c(OC(C)=O)c(O)c3C1=O)=CC2=O ZINC000238738851 JF Annotated Mild C=C([C@H](C[C@H](O)C(C)(C)O)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@H]1OC(=O)/C(C)=C\C ZINC000238738865 JF Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3O[C@@H]2[C@H](O)[C@@H]2[C@](C)(O)C=CC(=O)[C@]12C ZINC000238738957 JF Annotated Mild COc1ccc(C(=O)O[C@@H]2C[C@](C)(O)CC(=O)[C@]3(C)[C@@H](OC(C)=O)C[C@](O)(C(C)C)[C@@H]23)cc1 ZINC000238739114 JF Annotated Anodyne C/C=C1\CN(C)CC[C@@]23C(=O)C[C@@H]1[C@@H](COC(C)=O)[C@@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 ZINC000238739400 JF Annotated Anodyne CC1(C)O[C@@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@@]1(O)[C@H](CC[C@]34C[C@]13C(=O)O[C@H]4c1ccoc1)O2 ZINC000238739493 JF Annotated Anodyne CCCC(=O)c1c(OS(=O)(=O)O)cc(OC)c2c1C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000238739994 JF Annotated Clean C[C@H]1O[C@H](C=C=CBr)C[C@@H]2O[C@@H](C[C@@H](Br)[C@@H](O)C[C@@H]2Cl)[C@@H]1O ZINC000238740638 JF Annotated Reactive C[C@H]1O[C@@H](C=C=CBr)C[C@@H]2O[C@@H](C[C@@H](Br)[C@@H](O)C[C@@H]2Cl)[C@@H]1O ZINC000238740648 JF Annotated Reactive COC(=O)/C=C\[C@]12COC(C)(C)[C@H]1[C@@H]1C[C@@]3(C)[C@H]4[C@H](O1)C(=O)O[C@@H](c1ccoc1)[C@@]4(C)C(=O)C(=O)[C@H]32 ZINC000238740657 JF Annotated Clean CC(C)=CC(=O)O[C@H]1/C=C/[C@](C)(CC[C@H](O)C(C)(C)O)C/C=C(/CO)C(=O)/C=C/[C@]1(C)O ZINC000238740784 JF Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@H](O)C[C@]1(C)O[C@]1(C)C=O ZINC000238741066 JF Annotated Mild CC(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2/C=C(/C)CC[C@@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)CC[C@@]3(CO3)[C@@H]12 ZINC000238741147 JF Annotated Anodyne CCCCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@](C)([C@@H](OC(C)=O)[C@@H](C)C(=O)O)[C@@H](O)[C@@H]1C ZINC000238741237 JF Annotated Anodyne CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@](C)(O)C(=O)[C@H](C)C/C=C/[C@@H]3[C@H](O)[C@H]1C ZINC000238741451 JF Annotated Anodyne C[C@@H]1O[C@@H](O[C@H]2CC[C@H](c3ccc4c(c3O)C(=O)C(CC(=O)O)=C(O)C4=O)O[C@H]2C)CC[C@@H]1O ZINC000238741954 JF Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)CC[C@@H](O1)[C@](C)(O)CC[C@H]2OC(C)=O ZINC000238742046 JF Annotated Mild C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)C(=O)[C@H]1O ZINC000238743034 JF Annotated Anodyne C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@@H]2C[C@H]3O[C@@H]2[C@]1(O)O[C@H]3[C@@H](C)[C@H](C)O ZINC000238743062 JF Annotated Anodyne CC[C@H](C)[C@H]1NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)[C@@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238743453 JF Annotated Anodyne CCC[C@H](C(=O)c1cc([C@@H](OC)C(C)C)c(O)c(C=O)c1O)[C@H]1C[C@@H](O)[C@]2(O[C@H]2CC)[C@H](O)O1 ZINC000238743566 JF Annotated Anodyne CC[C@@H]1O[C@]12[C@H](O)C[C@H]([C@@H](CC(C)C)C(=O)c1cc(CC(C)C)c(O)c(C=O)c1O)O[C@H]2O ZINC000238744273 JF Annotated Anodyne CC(=O)OC/C=C(/C)CC[C@H](O)[C@@](C)(O)C[C@@H]1C=C(CC/C=C(/C)COC(C)=O)C(=O)O1 ZINC000238744703 JF Annotated Anodyne CC(C)C[C@H]1NC(=O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238744771 JF Annotated Anodyne O=C(O[C@@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@](O)(OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 ZINC000238745067 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@]23C(=O)N[C@H](Cc4ccccc4)[C@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@H]3/C=C/C[C@@](C)(O)C1=O ZINC000238745267 JF Annotated Anodyne CC1(C)C(=O)[C@H]2C[C@]34O[C@@]2(O)[C@@]2(COC(=O)C[C@H]12)[C@@H]3CC[C@]1(C)[C@@H](c2ccoc2)OC(=O)C[C@@H]14 ZINC000238745307 JF Annotated Anodyne C/C=C(\C)C(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)C[C@@H](O)[C@@H]1C3 ZINC000238745534 JF Annotated Anodyne CO[C@H]1C[C@@]2(CC[C@]3(O2)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C(=O)C(=O)[C@]3(C)OC(C)=O)CO1 ZINC000238745801 JF Annotated Clean CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@H](O)[C@@H](C)[C@](C)(C[C@H](O)c3ccoc3)[C@H]1CCC[C@]21CO1 ZINC000238745887 JF Annotated Anodyne CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H](/C(C)=C/[C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000238746361 JF Annotated Mild C/C=C1/CN2[C@H](CO)C[C@]34C(=Nc5ccccc53)[C@]2(C)C[C@]1(C)[C@]4(COC(C)=O)C(=O)OC ZINC000238746608 JF Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@H](O[C@H]3OC(=O)/C(=C/C[C@]4(OC(C)=O)CCCC(C)(C)C4)[C@H]32)O[C@@H]1OC(C)=O ZINC000238746755 JF Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000238747202 JF Annotated Mild C[C@@H]1O[C@@H](O[C@@H]2CC[C@H](c3ccc4c(c3O)C(=O)C(CC(=O)O)=C(O)C4=O)O[C@@H]2C)CC[C@@H]1O ZINC000238748012 JF Annotated Mild CC(=O)O[C@@H]1C[C@@](C)([C@@H]2OC(=O)C[C@@H]2CO)[C@@H]2CC(=O)O[C@@H]3C[C@H]4C(C)=CCC(=O)[C@]4(C)[C@@H]1[C@]23C ZINC000238748557 JF Annotated Anodyne C/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@H]1OC(=O)/C=C/CC/C=C/[C@H](O)[C@@H](O)[C@@H]1C ZINC000238749226 JF Annotated Anodyne CCC(=O)N1c2c(cc(OC)c(OC)c2OC)[C@]23CCN4CCC[C@@]5(CC[C@@H]12)CC(=O)O[C@@]453 ZINC000238749483 JF Annotated Anodyne COC(=O)[C@H]1[C@H]2C=C[C@@]3(OC(=O)c4ccccc4)CO[C@H](O[C@@H]1OC(=O)c1ccccc1)[C@@H]23 ZINC000238749776 JF Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000238750548 JF Annotated Mild C=C1C=C[C@H]2[C@@H]1C[C@H]1/C=C/CCC(=O)C3=C(O)N[C@H](C3=O)[C@H](O)CCNC(=O)/C=C/C=C\C[C@H]21 ZINC000238750720 JF Annotated Mild CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238750722 JF Annotated Anodyne COc1cc(C(=O)O[C@H]2CCN3C[C@H]4C[C@H](CN5C(=O)CCC[C@H]45)[C@@H]3C2)cc(OC)c1OC ZINC000238751731 JF Annotated Anodyne COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@@]1(O)C[C@]4(CC(C)=O)N(C[C@@H]1C)C[C@H](CC3)[C@]24C ZINC000238751916 JF Annotated Anodyne CN1[C@H]2C[C@H]3[C@@H]4C[C@@]5(O[C@@H](CO)CC5=O)O[C@]4(C)OC[C@H]3[C@@H]1Cc1c2n(C)c2ccccc12 ZINC000238752195 JF Annotated Anodyne CC(=O)OC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)O1 ZINC000238752558 JF Annotated Anodyne CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12CC[C@](C)(CC(=O)O[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)O2 ZINC000238752717 JF Annotated Anodyne O=C1C=CC[C@@H]([C@@H](O)[C@H](O[C@@H](c2ccccc2)[C@H](O)[C@H]2CC=CC(=O)O2)c2ccccc2)O1 ZINC000238752931 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238753012 JF Annotated Anodyne CNCCOC(=O)/C=C1/CC[C@H]2[C@@H]([C@@H](O)C[C@@H]3[C@]2(C)CC[C@@H](OC(C)=O)[C@]3(C)C(=O)OC)[C@H]1C ZINC000238753258 JF Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238753329 JF Annotated Mild C=C1[C@H](OC(C)=O)[C@@]23[C@@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@@H](OC(C)=O)[C@]3(O)OC2 ZINC000238754218 JF Annotated Mild C=C1C[C@@H]2O[C@@H]([C@H]3[C@H](C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H]23)[C@]2(C)CC[C@@]1(O)O2 ZINC000238754276 JF Annotated Mild COc1cc(/C=C/C(=O)NCCCN(CCCCN)C(=O)/C=C/c2ccc(O)cc2)ccc1O ZINC000238754395 JF Annotated Anodyne CCO[C@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3CCC[C@]4(O)CO)O[C@@H]2O1 ZINC000238754661 JF Annotated Anodyne O[C@H]1CSSC[C@H](O)CSSC[C@@H](O)CSSC[C@@H](O)CSSC1 ZINC000238754903 JF Annotated Reactive CC(=O)OC[C@]12[C@@H](CC[C@H](OC(C)=O)[C@@]13CO3)[C@](C)([C@H]1C[C@@H]3C=CO[C@@H]3O1)[C@@H](C)C[C@H]2OC(C)=O ZINC000238755099 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@]23C(=O)N[C@H](Cc4ccccc4)[C@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@H]3/C=C/C[C@@H](CO)C1=O ZINC000238755600 JF Annotated Anodyne CC(=O)Oc1ccc(C2=C3OC(=O)C(c4ccc(OC(C)=O)c(OC(C)=O)c4)=C3OC2=O)cc1 ZINC000238755604 JF Annotated Anodyne C=C1C[C@H](OC(=O)[C@@](C)(CCl)OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000238756283 JF Annotated Reactive COC(=O)[C@@H]1[C@H]2C=C[C@@]3(OC(=O)c4ccccc4)CO[C@H](O[C@@H]1OC(=O)c1ccccc1)[C@@H]23 ZINC000238756287 JF Annotated Anodyne COc1ccc2c(c1)[C@H](CS(=O)(=O)O)[C@@H](c1cc(/C=C/C(=O)O)cc(OC)c1O)CO2 ZINC000238756973 JF Annotated Anodyne C=C[C@](C)(CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238756997 JF Annotated Mild CC[C@@H]1O[C@]12[C@H](O)C[C@@H]([C@@H](CC(C)C)C(=O)c1cc(C(=O)C(C)C)c(O)cc1O)O[C@H]2O ZINC000238757030 JF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OC(C)=O)CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238757053 JF Annotated Anodyne CC(=O)O[C@@H]1C=C[C@]2(C)[C@@H](OC(C)=O)CC/C(C)=C(/Cl)[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](O)[C@H]2[C@H]1C ZINC000238757087 JF Annotated Anodyne CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(=O)[C@H](OC(C)=O)C(C)C)[C@H]2C[C@H](OC(C)=O)[C@]3(CO3)[C@@H]12 ZINC000238757112 JF Annotated Anodyne COC(=C[C@H](/C=C/C=C(\OC)C(=O)O)[C@H](C=C(OC)OC)/C=C/C=C(\OC)C(=O)O)OC ZINC000238757227 JF Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/C[C@@H](O)[C@@H]1C ZINC000238757312 JF Annotated Anodyne C=C1[C@@H]2[C@H]([C@H](C(C)C)C[C@H]1OC(C)=O)[C@@H]1O[C@H]2[C@@H](O)[C@@](C)(O)[C@H](O)CC[C@]1(C)OC(=O)CCC ZINC000238757505 JF Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]12 ZINC000238757703 JF Annotated Anodyne COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2CO[C@@H](O)[C@@H]2COC(C)=O)cc(OC)c1OC ZINC000238758103 JF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C/C(C)=C\[C@H](OC(C)=O)C[C@](C)(O)/C=C2/OC(=O)C(COC(C)=O)=C21 ZINC000238758618 JF Annotated Anodyne CC(=O)OC[C@@]12C(=O)[C@H](OC(C)=O)[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 ZINC000238759348 JF Annotated Anodyne C[C@]12C[C@H](Cc3ccc4c(c3)CC[C@H]3[C@H]4C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]34C)O[C@@H](O)[C@@]1(C)O2 ZINC000238759416 JF Annotated Mild CC(C)C[C@@H](C(=O)N[C@H]1C(=O)N2CCC[C@@H]2C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)N(C)C ZINC000238759729 JF Annotated Anodyne C=C1C[C@H](O)[C@H](O)C(=C)CC[C@H]2C([C@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@H]12 ZINC000238760134 JF Annotated Mild COc1cc(/C=C\C(=O)N(CCCCN)CCCNC(=O)/C=C\c2ccc(O)cc2)ccc1O ZINC000238760728 JF Annotated Anodyne COc1cc(/C=C/C(=O)N(CCCCN)CCCNC(=O)/C=C\c2ccc(O)cc2)ccc1O ZINC000238760741 JF Annotated Anodyne COc1cc(/C=C\C(=O)N(CCCCN)CCCNC(=O)/C=C/c2ccc(O)cc2)ccc1O ZINC000238760753 JF Annotated Anodyne COc1cc(/C=C/C(=O)N(CCCCN)CCCNC(=O)/C=C/c2ccc(O)cc2)ccc1O ZINC000238760763 JF Annotated Anodyne CC(=O)O[C@H]1[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4O[C@H](O)[C@]2([C@@H]43)[C@H]1OC(C)=O ZINC000238761117 JF Annotated Anodyne CCC[C@H](C)[C@H](N)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C ZINC000238761399 JF Annotated Anodyne CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C\[C@](C)(O)C(=O)[C@H](C)C/C=C\[C@@H]3[C@H](O)[C@H]1C ZINC000238761536 JF Annotated Anodyne CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C\[C@](C)(O)C(=O)[C@H](C)C/C=C/[C@@H]3[C@H](O)[C@H]1C ZINC000238761554 JF Annotated Anodyne CC1=C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@](C)(O)C(=O)[C@H](C)C/C=C\[C@@H]3[C@H](O)[C@H]1C ZINC000238761568 JF Annotated Anodyne CC(C)C[C@@H](C(=O)N[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N/C=C/c2ccc(cc2)O[C@H]1C(C)C)N(C)C ZINC000238761841 JF Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](OC(C)=O)[C@@]1(C)CC[C@H](O1)[C@](C)(O)CC[C@@H]2OC(C)=O ZINC000238762188 JF Annotated Mild C[C@H]1CCCCC[C@@H](O)C(=O)[C@H](S[C@@H]2CC(=O)O[C@@H](C)CCCCC[C@@H](O)C2=O)CC(=O)O1 ZINC000238762281 JF Annotated Anodyne COc1cc(C)c2c(=O)c3c(OC(C)=O)c4c(c(OC(C)=O)c3oc2c1)C(=O)C(OC(C)=O)=CC4=O ZINC000238762589 JF Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(C)=O)[C@@](C)(O)[C@H](C)[C@@H]2O ZINC000238763699 JF Annotated Anodyne CC1(C)O[C@@H]2CC(=O)OC[C@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3CC[C@](C)([C@H](O)c2ccoc2)[C@@]12O[C@@H]2C(=O)O ZINC000238764059 JF Annotated Anodyne C/C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/[C@@H](O)C[C@@H]1C ZINC000238764433 JF Annotated Anodyne CC(=O)OCC(COC(C)=O)c1c(O)c(O)c2c(c1O)C(=O)[C@@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238765160 JF Annotated Clean CO[C@H]1/C=C/C=C/C=C/C[C@@H](O)[C@H](C)[C@H](O)/C(C)=C\CCC2=CC(=O)C=C(NC(=O)C1)C2=O ZINC000238765490 JF Annotated Mild CC1(C)O[C@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@]1(O)[C@H](CC[C@]34C[C@@]31[C@H](O)O[C@H]4c1ccoc1)O2 ZINC000238766176 JF Annotated Anodyne CCC1=Cc2cc3c(c(O)c2[C@@H](O[C@@H]2C[C@@H](N)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O ZINC000238766269 JF Annotated Clean CC(=O)O[C@@H]1/C(COC(=O)C(C)C)=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2[C@@H]1O ZINC000238766345 JF Annotated Anodyne O=C1C=CC2(C=C1)[C@@]1(c3ccc(O)cc3)C(=O)c3cc(O)cc(O)c3[C@]2(C(=O)O)c2cc(O)cc(O)c21 ZINC000238766362 JF Annotated Mild CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]23O[C@@]2(C)[C@H](C)C[C@@H](OC(C)=O)[C@@]3(C)[C@@H]2Cc3occc3[C@](C)(O)[C@@H]12 ZINC000238766408 JF Annotated Anodyne CC1(C)O[C@@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@]1(O)[C@@H](CC[C@]34C[C@@]31[C@@H](O)O[C@H]4c1ccoc1)O2 ZINC000238766604 JF Annotated Anodyne C=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23C(=O)/C=C/[C@](C)(O)C(=O)[C@H](C)C/C=C/[C@@H]3[C@H]1O ZINC000238766615 JF Annotated Mild CC1(C)O[C@@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@]1(O)[C@H](CC[C@]34C[C@@]31[C@H](O)O[C@H]4c1ccoc1)O2 ZINC000238766707 JF Annotated Anodyne C[C@@H]1C[C@]2(OC(=O)c3ccccc3)C(=O)[C@@]3(C)[C@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O)C(C)(C)[C@@H]4O ZINC000238766901 JF Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@H](C(=C)C=O)[C@@](C)([C@@H]1CO1)[C@@H]2OC(=O)/C(C)=C\C ZINC000238767084 JF Annotated Reactive CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](CO)(C[C@H](O)c3ccoc3)[C@H]1CCC[C@]21CO1 ZINC000238767546 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](C)[C@@](C)(O)C(=O)O[C@H](C)[C@@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 ZINC000238767586 JF Annotated Anodyne COC(=O)/C=C\[C@]12COC(C)(C)[C@@H]1C[C@@H]1O[C@H]3C(=O)O[C@H](c4ccoc4)[C@]4(C)C(=O)C(=O)[C@@H]2[C@]1(C)[C@@H]34 ZINC000238767626 JF Annotated Clean C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@H]2[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]12 ZINC000238767658 JF Annotated Anodyne CC1(C)O[C@](O)(C[C@@]23C[C@@]45C[C@]4(C[C@@H]2O3)[C@H](c2ccoc2)OC5=O)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238767824 JF Annotated Anodyne COC(=O)C1=C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccc7c(c6N(C(=O)OC)[C@]15CC2)OCO7)[C@H]34 ZINC000238767928 JF Annotated Bother C=C(C)[C@]12C[C@]3(O[C@H]1CC(=O)O2)[C@@]1(C)C(=O)O[C@@]2(C)O[C@@]34C(=O)O[C@@H](c3ccoc3)[C@]4(C)C=C[C@@H]12 ZINC000238768293 JF Annotated Mild CC(=O)O[C@@H]1C[C@@](C)([C@H]2OC(=O)C[C@@H]2CO)[C@@H]2CC(=O)O[C@@H]3C[C@H]4C(C)=CCC(=O)[C@]4(C)[C@@H]1[C@]23C ZINC000238768951 JF Annotated Anodyne C=C1C[C@H](O)[C@H](O)/C(C)=C\C[C@H]2C([C@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@H]12 ZINC000238769162 JF Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(CO)C[C@@H]12 ZINC000238769619 JF Annotated Reactive CO[C@H]1[C@@H](C)[C@H](CC(=O)O)O[C@@](O)([C@H](C)C[C@H](C)[C@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C=C(C)C)C1(C)C ZINC000238770419 JF Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(O)CC[C@@H]12 ZINC000238770476 JF Annotated Reactive Cc1c(O)cc(C(=O)O)cc1Oc1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43 ZINC000238770506 JF Annotated Clean C[C@@H]1O[C@H](O[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC/C(=C/CO)CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000238770530 JF Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C(=O)[C@](C)(O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238770788 JF Annotated Mild COc1ccc(Cc2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)cc2O)cc1 ZINC000238771103 JF Annotated Mild CC(C)/C(O)=C/C(=O)[C@@]1(C(=O)[C@]2(C)C[C@@H](C(C)(C)O)OC2=O)C[C@@H]2[C@H](CC[C@]2(C)O)[C@@](C)(O)C1 ZINC000238771428 JF Annotated Mild CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)N(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000238771559 JF Annotated Anodyne COc1c(Br)cc(/C=C2\O[C@@H]3[C@H](Cl)C[C@H](NC(=N)N)N3C2=O)cc1Br ZINC000238771939 JF Annotated Reactive CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl ZINC000238772256 JF Annotated Reactive C=C1C(=O)[C@]23[C@H](OC(C)=O)C[C@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]4(C)[C@H]2CC[C@@H]1[C@H]3O ZINC000238772745 JF Annotated Mild COc1cc2c(cc1[C@H]1OC[C@]3(OC(C)=O)[C@H](Oc4ccc5c(c4)OCO5)OC[C@H]13)OCO2 ZINC000238772792 JF Annotated Anodyne CC1(C)O[C@](O)(C[C@@]23O[C@@H]2CC[C@]24C[C@@]23C(=O)O[C@H]4c2ccoc2)C[C@@H]1[C@]1(C)C=CC(=O)O1 ZINC000238773340 JF Annotated Anodyne CCCC(=O)OCc1cc(=O)n(C)c2c3c4c(cc12)c(COC(=O)CCC)cc(=O)n4CO3 ZINC000238774058 JF Annotated Bother C[C@H]1O[C@]1(C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)[C@@]1(C)O[C@@H]1C ZINC000238774114 JF Annotated Anodyne COc1cc(C(=O)O[C@@H]2CCN3C[C@H]4C[C@H](CN5C(=O)CCC[C@H]45)[C@@H]3C2)cc(OC)c1OC ZINC000238774235 JF Annotated Anodyne CC[C@H](C)[C@@H](C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)N(C)C ZINC000238774610 JF Annotated Anodyne Cc1cc([C@H]2C[C@@H](O)[C@@H](O)[C@@H](C)O2)c2cc3c(c(O)c2c1)C(=O)c1c(O)ccc(O)c1C3=O ZINC000238775056 JF Annotated Clean COc1ccc(C(=O)O[C@H]2CC(C)=C3C(=O)C=C(C)[C@@H]3[C@H]3OC(=O)[C@@](C)(OC(C)=O)[C@H]23)cc1OC ZINC000238775257 JF Annotated Mild CC(=O)OC[C@@]12[C@@H](O)[C@H](OC(C)=O)[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1 ZINC000238775939 JF Annotated Anodyne CC(=O)O[C@@H]1C[C@@](C)([C@H]2OC(=O)C[C@@H]2CO)[C@@H]2CC(=O)O[C@@H]3C[C@@H]4C(C)=CCC(=O)[C@]4(C)[C@@H]1[C@]23C ZINC000238776262 JF Annotated Anodyne C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](OC(C)=O)[C@]1(C)CC[C@@H](O1)[C@@](C)(O)CC[C@@H]2OC(C)=O ZINC000238776436 JF Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](C4=CCOC4=O)C[C@H]3O[C@@H]2[C@H](O)[C@H]2C(C)=CCC(=O)[C@@]21C ZINC000238776703 JF Annotated Anodyne CC1(C)O[C@@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@@]1(O)[C@@H](CC[C@]34C[C@]13[C@@H](O)O[C@H]4c1ccoc1)O2 ZINC000238777063 JF Annotated Anodyne CC1(C)O[C@]2(C[C@@H]1[C@]1(C)C=CC(=O)O1)C[C@]1(O)[C@H](CC[C@]34C[C@@]31[C@@H](O)O[C@H]4c1ccoc1)O2 ZINC000238778173 JF Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C[C@@H]3[C@]2(C)CC[C@@H](OC(C)=O)[C@]3(C)C(=O)OC)[C@H]1C ZINC000238778229 JF Annotated Anodyne C/C=C(/C)C(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)C[C@@H](O)[C@@H]1C3 ZINC000238778499 JF Annotated Anodyne COC(=O)c1c(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)ccc(OC)c1OC ZINC000238779032 JF Annotated Anodyne CC1(C)O[C@@H]2CC(=O)O[C@]2(C)[C@H]1CC(=O)C[C@@H]1C(=O)CC[C@]23C[C@]12[C@H](O)O[C@H]3c1ccoc1 ZINC000238779128 JF Annotated Anodyne CC(=O)OC[C@]12[C@@H](CC[C@H](OC(C)=O)[C@@]13CO3)[C@](C)([C@H]1C[C@@H]3CCO[C@@H]3O1)[C@@H](C)C[C@H]2OC(C)=O ZINC000238779212 JF Annotated Anodyne COc1cc(/C=C\C(=O)NCCCN(CCCCN)C(=O)/C=C\c2ccc(O)cc2)ccc1O ZINC000238779413 JF Annotated Anodyne COc1cc(/C=C/C(=O)NCCCN(CCCCN)C(=O)/C=C\c2ccc(O)cc2)ccc1O ZINC000238779417 JF Annotated Anodyne COc1cc(/C=C\C(=O)NCCCN(CCCCN)C(=O)/C=C/c2ccc(O)cc2)ccc1O ZINC000238779424 JF Annotated Anodyne CC1=C2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)O/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@H](O)[C@H]1C ZINC000238779653 JF Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)OC)C(=O)OC ZINC000238779688 JF Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(O)C=CC(=O)[C@@]21C ZINC000238779980 JF Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)[C@@H](C)[C@H]([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000238780050 JF Annotated Mild CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@@H]3[C@H](Cc4occc4[C@@]3(C)O)[C@@]2(C)[C@H]1OC(C)=O ZINC000238780725 JF Annotated Anodyne C=C1N[C@@H]([C@H](C)CC)C(=O)NCCc2ccc(OC)c(c2)C[C@H](NC)C(=O)N[C@@H]1[C@@H](C)CC ZINC000238781493 JF Annotated Mild C/C=C(\C)C(=O)O[C@H]1C/C(C)=C\[C@@H](OC(C)=O)C[C@@](C)(O)/C=C2/OC(=O)C(COC(C)=O)=C21 ZINC000238781533 JF Annotated Anodyne COC(=O)[C@@]1(O)C(c2ccc(O)cc2)=C(c2ccc(O)cc2)C(=O)N1CC(=O)c1ccc(OC)cc1 ZINC000238781724 JF Annotated Anodyne OC/C=C/c1ccc2c(c1)O[C@@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](CO)O3)[C@H](CO)O2 ZINC000238782016 JF Annotated Clean C=C[C@](C)(O)CC[C@H]1C(C)=C[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC(C)=O)[C@H]2[C@](C)(C=O)CCC[C@]12C ZINC000238782043 JF Annotated Mild COc1ccc(Cc2nc(NC3=NC(=O)N(C)C3=O)n(C)c2Cc2cc(O)c(OC)c(OC)c2)cc1 ZINC000238782784 JF Annotated Anodyne CC(=O)O[C@@H]1O[C@H](OC(C)=O)C=C1[C@H]1C[C@H]2O[C@@]2(CC[C@H]2C(C)(C)CCC[C@@]2(C)O)C(=O)O1 ZINC000238782785 JF Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C[C@](C)(O)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000238783668 JF Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@@H](O)[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000238784187 JF Annotated Mild C=C(C(=O)OC)[C@@H]1C[C@@H](OC(C)=O)C2=C(CC[C@H]3[C@@]2(C)CCC(=O)[C@]3(C)C(=O)OC)[C@@H]1OC(C)=O ZINC000238784241 JF Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)C=CC(=O)[C@@H](C)[C@@H]3C2)O[C@@H](C)[C@H](O)[C@H]1OC(C)=O ZINC000238784654 JF Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@]2(OC(C)=O)O[C@@]1(C)CCC1=C(COC(C)=O)C(=O)O[C@@H]1/C=C\2C ZINC000238784864 JF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@]2(OC(C)=O)O[C@@]1(C)CCC1=C(COC(C)=O)C(=O)O[C@@H]1/C=C/2C ZINC000238784867 JF Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](C4=CCOC4=O)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23 ZINC000238784868 JF Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C(=O)OCC[N+](C)(C)C)cc3[C@H]2CO)ccc1O ZINC000238785019 JF Annotated Bother CC(C)/C(O)=C\C(=O)[C@@]1(C(=O)[C@]2(C)C[C@@H](C(C)(C)O)OC2=O)C[C@@H]2[C@H](CC[C@]2(C)O)[C@@](C)(O)C1 ZINC000238786101 JF Annotated Mild CC1(C)OC(=O)C=C[C@]2(C)[C@H]3[C@@H](O)C[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@H]3C(=O)C[C@@H]12 ZINC000238786912 JF Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N5[C@@H](C(=O)OC)[C@@H]1C[C@@H]2[C@]53Oc1c4ccc(C(=O)O)c1O ZINC000238787192 JF Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)C=CC(=O)[C@@H](C)[C@@H]3C2)[C@H](OC(C)=O)[C@@H]1O ZINC000238787208 JF Annotated Mild CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(C)=CC(=O)C[C@@H]3[C@@]12C ZINC000238787243 JF Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C(=O)C=C(C)[C@H]2[C@@H]3OC(=O)[C@@](O)(COC(=O)/C(C)=C/C)[C@@H]3CC[C@]12C ZINC000238787388 JF Annotated Mild C/C=C(/C)C(=O)OC[C@]1(O)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(=O)/C(C)=C\C)C(=O)C=C(C)[C@@H]21 ZINC000238787389 JF Annotated Mild C/C=C(\C)C(=O)OC[C@]1(O)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(=O)/C(C)=C/C)C(=O)C=C(C)[C@@H]21 ZINC000238787391 JF Annotated Mild C/C=C(/C)C(=O)OC[C@]1(O)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(=O)/C(C)=C/C)C(=O)C=C(C)[C@@H]21 ZINC000238787393 JF Annotated Mild C[C@H](O)[C@H](C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C\[C@@H](C)[C@@H](C)O)OC=C3[C@H]12 ZINC000238787739 JF Annotated Mild COc1c(Br)cc(/C=C2/O[C@@H]([C@@H](Cl)CCNC(=N)N)NC2=O)cc1Br ZINC000238787806 JF Annotated Reactive CC[C@H](C)/C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CN1CCO ZINC000238788476 JF Annotated Mild CCO[C@H](C)NC(=O)C[C@]1(O)C=C(Br)[C@@](OC)(OCC)C(Br)=C1 ZINC000238788502 JF Annotated Anodyne CC[C@H](C)c1nc2c(CCCNC(=N)N)nc(-c3cc4ccccc4[nH]3)cn2c1OS(=O)(=O)O ZINC000238788877 JF Annotated Anodyne C[C@@H](C1=CC[C@@]23O[C@@]2(CC[C@H]2C3=CC(=O)[C@@]3(O)CC=CC(=O)[C@]23C)C1)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 ZINC000238788967 JF Annotated Mild CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]1OC(C)(C)O[C@@]14[C@@H](C[C@H](O)C4(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000238789144 JF Annotated Anodyne CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=CC(=O)[C@@]2(O)COC(=O)CC(C)C ZINC000238789221 JF Annotated Mild C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c3cc12 ZINC000238789713 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)N(C(C)C)C(=O)[C@H]24)c1 ZINC000245236373 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)c1 ZINC000245236374 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)N(C(C)C)C(=O)[C@H]24)c1 ZINC000245236375 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)N(C(C)C)C(=O)[C@H]24)c1 ZINC000245236376 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000245237406 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245237407 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000245237408 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000245339143 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000245339144 JF Annotated Anodyne COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000245339145 JF Annotated Anodyne CCCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000002549784 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000002601868 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000002601869 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000002601871 JF Annotated Anodyne COc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N3CCC(C)CC3)c2=O)CCC4)c(OC)c1 ZINC000002601961 JF Annotated Anodyne Cc1c(-n2c(SCC(=O)NC(C)C)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000002615886 JF Annotated Anodyne COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2OC)C(C)C)c1 ZINC000002661865 JF Annotated Reactive Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002664600 JF Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000002664980 JF Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000002664981 JF Annotated Anodyne C=CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000002703967 JF Annotated Mild C=CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000002703968 JF Annotated Mild COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)o2)cc1 ZINC000002723504 JF Annotated Anodyne CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)C[S@@](=O)C2 ZINC000002725103 JF Annotated Anodyne CCOCCn1cnc2sc(C(=O)Nc3nc(C)c(C(=O)OCC)s3)c(C)c2c1=O ZINC000002923283 JF Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nnc(N5CCCC5=O)s4)CC3)CC2)c1 ZINC000002960625 JF Annotated Anodyne CCOCCCn1c(S)nc2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2c1=O ZINC000002972158 JF Annotated Anodyne CCOCCCn1c(S)nc2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2c1=O ZINC000002972159 JF Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250093169 JF Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250093173 JF Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@H]4C2=O)cc1OC ZINC000250390296 JF Annotated Anodyne CC(C)N(CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000250533037 JF Annotated Anodyne CC(C)N(CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000250533041 JF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)NC[C@H]3CCCO3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000250657863 JF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)NC[C@H]3CCCO3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000250657871 JF Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(C)cc3)[C@@H]4C2=O)cc1OC ZINC000251484103 JF Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)[C@@H]1C ZINC000252438222 JF Annotated Anodyne C[C@@H]1[C@@H](NC(=O)COC(=O)/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CCC[C@H]1C ZINC000252438223 JF Annotated Anodyne COCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481183 JF Annotated Anodyne COCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253481184 JF Annotated Anodyne COCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253481185 JF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C[C@H]3CCCO3)C(=O)[C@H]24)cc1 ZINC000253481737 JF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C[C@@H]2CCCO2)[C@H]4C(=O)NC2CCCCC2)cc1 ZINC000253481738 JF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C[C@H]2CCCO2)[C@H]4C(=O)NC2CCCCC2)cc1 ZINC000253481739 JF Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)cc1 ZINC000253482524 JF Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CC4)[C@H](C(=O)NC4CCCCC4)[C@@]34C=C[C@H]2O4)cc1 ZINC000253482525 JF Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C2CC2)[C@H]4C(=O)NC2CCCCC2)cc1 ZINC000253482526 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253482771 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253482772 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000253482868 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000253482869 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C ZINC000253482870 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000253482871 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000253482998 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C ZINC000253482999 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000253483000 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000253483001 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483186 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253483187 JF Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253483312 JF Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253483313 JF Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253483314 JF Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000253483315 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@H]32)(OC)OO1 ZINC000253636315 JF Annotated Reactive COC(=O)C[C@@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@H]3NC(=O)N[C@@H]23)(OC)OO1 ZINC000253636319 JF Annotated Reactive C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C(C5OCCO5)=C[C@@]43C)[C@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000253644960 JF Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C(C5OCCO5)=C[C@@]43C)[C@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000253644961 JF Annotated Mild CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000253648722 JF Annotated Mild CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]21C ZINC000253648725 JF Annotated Mild CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000253648727 JF Annotated Mild CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000253648730 JF Annotated Mild CCOC(=O)Cn1c(=O)n(C[C@@H]2CC[C@@H](C(=O)NCCc3ccccc3)CC2)c(=O)c2ccccc21 ZINC000253660974 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000253664539 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000253664547 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@H](c1cccc(F)c1)N(C)[C@H]2c1cccc(F)c1 ZINC000253665817 JF Annotated Anodyne COc1ccc(C=NNc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCN(C)CC3)n2)cc1OC ZINC000253678061 JF Annotated Mild Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2cccc(C#N)c2)n1 ZINC000253678104 JF Annotated Mild COc1ccc2ncc(F)c(CCN3C[C@H](O)[C@H](CNCc4ccc5oc(=O)ccc5c4)C3)c2n1 ZINC000253678236 JF Annotated Anodyne COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=NN3CC(=O)NC3=O)CC(C)C)oc12 ZINC000253679362 JF Annotated Mild Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)NN=Cc1ccc(F)c(Br)c1 ZINC000253683660 JF Annotated Reactive CCCCCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253684140 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253684146 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253684152 JF Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@H](C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N)C[C@H](C)O1 ZINC000253691523 JF Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@H](C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N)C[C@@H](C)O1 ZINC000253691526 JF Annotated Clean CN(C)c1nccc(-c2[nH]c([C@@H]3OC[C@@](C)(C(=O)N4CCOCC4)CO3)nc2-c2ccc(F)cc2)n1 ZINC000253693074 JF Annotated Anodyne CCCCCCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000253702029 JF Annotated Reactive CCCCCCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)c1 ZINC000253702037 JF Annotated Reactive CCCCCCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)c1 ZINC000253702043 JF Annotated Reactive CCCCCCCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)c1 ZINC000253702050 JF Annotated Reactive Cc1nc2c(OCc3ccccc3)cccn2c1[C@H](C)SCCNC1=N[S@@](=O)N=C1N ZINC000253708577 JF Annotated Anodyne Cc1nc2c(OCc3ccccc3)cccn2c1[C@@H](C)SCCNC1=N[S@](=O)N=C1N ZINC000253708578 JF Annotated Anodyne Cc1nc2c(OCc3ccccc3)cccn2c1[C@H](C)SCCNC1=N[S@](=O)N=C1N ZINC000253708579 JF Annotated Anodyne Cc1nc2c(OCc3ccccc3)cccn2c1[C@@H](C)SCCNC1=N[S@@](=O)N=C1N ZINC000253708580 JF Annotated Anodyne Cc1cc(-c2nnn(C[C@@H]3CC[C@@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(O)c2)n1 ZINC000253731394 JF Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@H]([C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1)[C@@H]1CC[C@@H]31 ZINC000253733637 JF Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@@H]([C@@H]4CC[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000253733648 JF Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@@H]([C@@H]4CC[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000253733663 JF Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000253756277 JF Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]21C ZINC000253756281 JF Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@@]3(F)C(=O)C[C@]21C ZINC000253756287 JF Annotated Reactive CCOC(=O)[C@H](C)O[P@](=O)(OC[C@H]1C=C[C@@H](n2cc(C)c(O)nc2=O)O1)Oc1ccccc1 ZINC000253780758 JF Annotated Anodyne C(/C=C/c1ccc(-c2cn3cc(/C=C/C=NNC4=NCCCN4)ccc3n2)cc1)=NNC1=NCCCN1 ZINC000253806788 JF Annotated Mild COc1cc([C@@H]2S[C@H](C)C(=O)N2[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc(OC)c1O ZINC000253825445 JF Annotated Bother COc1cc([C@@H]2S[C@@H](C)C(=O)N2[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc(OC)c1O ZINC000253825453 JF Annotated Bother COc1c(N2C[C@@H]3CCCN[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000253838022 JF Annotated Anodyne COc1c(N2C[C@H]3CCCN[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000253838025 JF Annotated Anodyne CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C#N)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)[C@@H](O)[C@H]1O ZINC000253848518 JF Annotated Mild CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C#N)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)[C@@H](O)[C@@H]1O ZINC000253848523 JF Annotated Mild CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C#N)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)[C@H](O)[C@H]1O ZINC000253848527 JF Annotated Mild C[Si](C)(C)CCOC(=O)[C@H]1[C@H]2CC(=O)[C@@H](c3cc(O)ccc32)[C@H]1C(=O)OCCN1CCOCC1 ZINC000253848908 JF Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@H]1[C@@H](C(=O)OCCN2CCOCC2)[C@H]2C(=O)C[C@H]1c1ccc(O)cc12 ZINC000253848912 JF Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@@H]1[C@@H](C(=O)OCCN2CCOCC2)[C@H]2C(=O)C[C@H]1c1ccc(O)cc12 ZINC000253848915 JF Annotated Anodyne C[Si](C)(C)CCOC(=O)[C@@H]1[C@H]2CC(=O)[C@@H](c3cc(O)ccc32)[C@H]1C(=O)OCCN1CCOCC1 ZINC000253848918 JF Annotated Anodyne CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000253951411 JF Annotated Anodyne C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000254003341 JF Annotated Anodyne COC(=O)[C@]12CC3=CC[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@H]3Cc3ccccc3[C@@H]1CNC2=O ZINC000254046262 JF Annotated Anodyne COC(=O)[C@]12CC3=CC[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@H]3Cc3ccccc3[C@H]1CNC2=O ZINC000254046267 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2C(c3ccc(O)cc3)=C(c3ccc(O)cc3)[C@@H]([C@H]1C(=O)OCC)[S@]2=O ZINC000254073921 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2C(c3ccc(O)cc3)=C(c3ccc(O)cc3)[C@@H]([C@H]1C(=O)OCC)[S@@]2=O ZINC000254073924 JF Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3cccc(F)c3)c2)nc1O ZINC000254074081 JF Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3ccc(F)cc3)c2)nc1O ZINC000254078005 JF Annotated Anodyne CC1(C)O[C@@H]2O[C@H]([C@H](COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])[C@H](OC(=O)c3ccccc3)[C@H]2O1 ZINC000254078675 JF Annotated Unstable CC1(C)O[C@@H]2O[C@H]([C@H](COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])[C@@H](OC(=O)c3ccccc3)[C@H]2O1 ZINC000254078676 JF Annotated Unstable CC1(C)O[C@@H]2O[C@H]([C@H](COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])[C@H](OC(=O)c3ccccc3)[C@@H]2O1 ZINC000254078678 JF Annotated Unstable CC1(C)O[C@@H]2O[C@H]([C@H](COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])[C@@H](OC(=O)c3ccccc3)[C@@H]2O1 ZINC000254078680 JF Annotated Unstable CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3ccccc3F)c2)nc1O ZINC000254079878 JF Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]1CC[C@H](OC(C)=O)[C@]21CO1 ZINC000254079923 JF Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]1CC[C@@H](OC(C)=O)[C@@]21CO1 ZINC000254079924 JF Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]1CC[C@@H](OC(C)=O)[C@]21CO1 ZINC000254079925 JF Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@@H]2CS[S@](=O)C[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000254081813 JF Annotated Reactive COc1cc(O)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)O ZINC000254085979 JF Annotated Anodyne COc1cc(O)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)O ZINC000254085981 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@H](CCc4ccccc4)[C@H](C)O)=N[C@H](C)[C@@H]3C(=O)N2)cc1OC ZINC000254096178 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@H](CCc4ccccc4)[C@H](C)O)=N[C@H](C)[C@H]3C(=O)N2)cc1OC ZINC000254096181 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@H](CCc4ccccc4)[C@H](C)O)=N[C@@H](C)[C@H]3C(=O)N2)cc1OC ZINC000254096182 JF Annotated Anodyne O=C1[C@@H]2CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000254104209 JF Annotated Mild O=C1[C@@H]2[C@@H](CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@H]32)C(=O)N1c1ccc(F)cc1F ZINC000254104214 JF Annotated Mild O=C1[C@H]2[C@@H]3[C@H](CC[C@H]2C(=O)N1c1ccc(F)cc1F)C(=NOCc1ccccc1)C[C@H](O)[C@@H]3O ZINC000254104216 JF Annotated Mild O=C1[C@@H]2CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@@H]3[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000254104220 JF Annotated Mild COc1ccc(C(=O)c2cccc(C=c3nc(O)c(=Cc4nc[nH]c4C(C)(C)C)nc3O)c2)cc1 ZINC000254124710 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCO[C@]23CCN(C(=O)Nc2ccccc2)C[C@H]3F)cc1OC ZINC000254128360 JF Annotated Anodyne COC(=O)[C@@H]1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC[C@]12OC[C@H](C)O2 ZINC000254134897 JF Annotated Bother COc1ccccc1C(=O)c1cccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)c1 ZINC000254153166 JF Annotated Anodyne CC(C)N1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@@H]21 ZINC000254194011 JF Annotated Anodyne CC(C)N1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@H]2C[C@H]1[C@@H]1OC(C)(C)O[C@H]12 ZINC000254194012 JF Annotated Anodyne CC(C)N1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@H]2C[C@H]1[C@@H]1OC(C)(C)O[C@@H]12 ZINC000254194013 JF Annotated Anodyne CC(C)N1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@H]21 ZINC000254194014 JF Annotated Anodyne CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000254201634 JF Annotated Mild CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccccc2)[C@H](C)O1 ZINC000254201637 JF Annotated Mild Cc1c(/N=N/c2ccc(Cl)cc2)c(C)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#N ZINC000254209888 JF Annotated Mild Cc1c(/N=N/c2ccc(Cl)cc2)c(C)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(=S)c1C#N ZINC000254209889 JF Annotated Mild Cc1c(/N=N/c2ccc(Cl)cc2)c(C)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(=S)c1C#N ZINC000254209890 JF Annotated Mild COCCn1c(=NC(=O)CSCC(=O)NC2CCCCC2)sc2cc(OC)ccc21 ZINC000254287167 JF Annotated Anodyne CCCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O ZINC000254287588 JF Annotated Bother aggregator CCC(CC)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(OC)c(OC)c1 ZINC000254348699 JF Annotated Mild CCC(CC)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(OC)c(OC)c1 ZINC000254348706 JF Annotated Mild CCC(CC)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(OC)c(OC)c1 ZINC000254348712 JF Annotated Mild CCC(CC)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(OC)c(OC)c1 ZINC000254348716 JF Annotated Mild COC(=O)Cn1c(=NC(=O)c2nc3ccccc3s2)sc2cc(S(C)(=O)=O)ccc21 ZINC000254350166 JF Annotated Anodyne CCOCCn1c(=NC(=O)CSCC(=O)Nc2cc(C)on2)sc2cc(OC)ccc21 ZINC000254381619 JF Annotated Anodyne COc1cc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc(OC)c1OC ZINC000254391074 JF Annotated Mild COc1cc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc(OC)c1OC ZINC000254569021 JF Annotated Mild COc1cc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc(OC)c1OC ZINC000254569022 JF Annotated Mild COc1cc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc(OC)c1OC ZINC000254569023 JF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(N(C)C)cc2)cc1OC ZINC000254572643 JF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(N(C)C)cc2)cc1OC ZINC000254572644 JF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(N(C)C)cc2)cc1OC ZINC000254572645 JF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(N(C)C)cc2)cc1OC ZINC000254572646 JF Annotated Mild COCCn1c(=NC(=O)CCS(=O)(=O)c2ccccc2)sc2c(OC)ccc(OC)c21 ZINC000254591189 JF Annotated Anodyne COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000254742136 JF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000254742137 JF Annotated Mild COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000254742138 JF Annotated Mild COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000254742139 JF Annotated Mild COC(=O)c1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=Nc2cccc(C(N)=O)c2)cc1 ZINC000254823108 JF Annotated Anodyne CCCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1=O ZINC000254865847 JF Annotated Bother aggregator Cc1c(N2C[C@H](C3(N)CC3)C(F)(F)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000025970232 JF Annotated Anodyne COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1N)CCCN2 ZINC000025997864 JF Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H](O)[C@@H](C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)C1=O ZINC000255191356 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255197461 JF Annotated Mild CO[C@H]1[C@@H](C)[C@H](C)C[C@H]2[CH][C@@H](OC)[C@H](OC)[C@H](OC)[C@H]2[C@@H]2[C@H](OC)[C@H](OC)[C@@H](OC(C)=O)[CH][C@@H]12 ZINC000255197667 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC1=C[C@]2(C)CC[C@H]3[C@H](C)CC[C@@]32[C@@H]1C ZINC000255200747 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255200843 JF Annotated Mild C/C=C/C=C/C(=O)[C@@]12C(O)=C(C)C(=O)[C@@](C)(O)[C@@H]1[C@H]1/C(=C(O)/C=C/C=C/C)C(=O)[C@]2(C)C(=O)[C@@]1(C)O ZINC000255201853 JF Annotated Mild C/C=C/C=C/C(=O)[C@]12C(O)=C(C)C(=O)[C@@](C)(O)[C@H]1[C@H]1/C(=C(O)/C=C/C=C/C)C(=O)[C@]2(C)C(=O)[C@@]1(C)O ZINC000255201854 JF Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1C[C@@H](O)[C@]2(O)[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)CO ZINC000255202216 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]32C)C1 ZINC000255205248 JF Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000255205291 JF Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C3=CC(=O)O[C@@H]3O)C[C@H]3O[C@]321 ZINC000255207639 JF Annotated Mild CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C=O)[C@]23O[C@H]13 ZINC000255209837 JF Annotated Mild CC(C)[C@@H](O)CC[C@@H](C)[C@H]1C[C@H](O)[C@@H]2[C@]3(O)C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000255212616 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000255213603 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000255213605 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@@]3(O)[C@H]4[C@H](CC[C@]23C)[C@@]2(C)C(=O)C=CC[C@]2(O)[C@@H]2O[C@H]42)C1 ZINC000255213607 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]32C)C1 ZINC000255213610 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255213611 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CCC3=C4CC[C@@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255214708 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CCC3=C4CC[C@@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255214709 JF Annotated Mild CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4CC=CC(=O)NCC[C@H](O)[C@@H]5NC(=O)C(=C5O)C(=O)C=C[C@@H]4C[C@@H]3[C@H]2C[C@H]1C ZINC000255219634 JF Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CCCC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255219660 JF Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@]23C)O1 ZINC000255220054 JF Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255220103 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H](CO)[C@H]2C[C@@H](O)[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255220651 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255220853 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@]2(O)[C@]43C)C1 ZINC000255221036 JF Annotated Mild C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)CC/C=C/C)=C(O)[C@@]4(C)[C@@H]1[C@@H]1O[C@@]4(O)[C@H]3O[C@@]12O ZINC000255221248 JF Annotated Mild C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255221566 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000255221897 JF Annotated Mild CC(=O)O[C@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@]23O[C@H]13 ZINC000255222251 JF Annotated Anodyne CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@@H]3[C@@H](C[C@H](O)[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]23O[C@H]13 ZINC000255224227 JF Annotated Anodyne C[C@H]([C@H]1C[C@@](C)(O)[C@@](C)(O)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255225598 JF Annotated Mild COC(=O)C1=C2[C@]3(OC(C)=O)C[C@H]4C[C@H]5[C@@H]3CC[C@@H](C)N5[C@@]24[C@H]2CCC[C@@H](OC)[C@@H]2[C@H]1OC(C)=O ZINC000255227936 JF Annotated Anodyne CO[C@H]1[CH][C@H]2C[C@H](C)[C@@H](C)C[C@@H]3[CH][C@@H](OC(C)=O)[C@@H](OC)[C@@H](OC)[C@@H]3[C@H]2[C@H](OC)[C@@H]1OC ZINC000255230781 JF Annotated Anodyne CO[C@H]1[C@H](OC)[CH][C@@H]2C[C@@H](C)[C@@H](C)C[C@H]3[CH][C@@H](OC(C)=O)[C@H](OC)[C@H](OC)[C@H]3[C@@H]2[C@H]1OC ZINC000255230784 JF Annotated Anodyne C[C@H](CO)[C@H](C)CC[C@@H](C)[C@H]1[C@@H](O)[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255232734 JF Annotated Anodyne CC1=C(C)[C@H]([C@@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O ZINC000255233394 JF Annotated Mild CC1=C(C)[C@@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@](O)([C@@H]2C)[C@]43C)OC1=O ZINC000255233397 JF Annotated Mild CC1=C(CO)C[C@H]([C@@H](C)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@@H]4CC[C@]23C)OC1=O ZINC000255235020 JF Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@@H](C=C(C)[C@@]4(O)CC[C@]3(C)O4)[C@@H]2[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O ZINC000255243949 JF Annotated Anodyne CC1=C(CO)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@H]4CC=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C1 ZINC000255247390 JF Annotated Mild C=C[C@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](O[C@H]5OC[C@H](O)[C@H](O)[C@@H]5O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255248843 JF Annotated Mild CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000255259361 JF Annotated Mild CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000255259362 JF Annotated Mild CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000255259363 JF Annotated Mild CC(C)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000255259364 JF Annotated Mild CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000255259365 JF Annotated Mild CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000255259366 JF Annotated Mild C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@H](O)[C@@]1(O)[C@@H]3CC=C4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]21C ZINC000255259613 JF Annotated Anodyne CC1=C(CO)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@H]5O[C@H]5C(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O ZINC000255260312 JF Annotated Anodyne C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3[C@H](C(=O)/C=C/C=C/C)C(=O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O ZINC000255261038 JF Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2[C@@H](O)C[C@@]2(C)[C@H](C3=CCOC3=O)C[C@H]3O[C@]321 ZINC000255261276 JF Annotated Mild C=C1CO[C@@]2(O[C@H]3C[C@@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O)[C@]6(C)[C@@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@H]1O ZINC000255261690 JF Annotated Mild C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](O)/C=C/[C@@](C)(O)C1=O ZINC000255262222 JF Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C=O)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000255262704 JF Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255263969 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)[C@@H](O)CC(=O)[C@]5(C)[C@H]2CC3)C1 ZINC000255263974 JF Annotated Anodyne C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000255266843 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32C)[C@H]2C(=O)C=C[C@H](O)[C@]23O[C@@H]3[C@@H]4O)C1 ZINC000255268109 JF Annotated Mild C=C1[C@H]2[C@@H](O[C@H]3CC(=O)O[C@]4(C)COC(=O)C[C@@H]4[C@]32C)[C@H](OC=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132 ZINC000255269638 JF Annotated Mild C=C1[C@H]2[C@H](O[C@@H]3CC(=O)O[C@@]4(C)COC(=O)C[C@H]4[C@@]23C)[C@@H](OC=O)[C@@]2(C)[C@@H](c3ccoc3)C[C@@H]3O[C@@]132 ZINC000255269639 JF Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@@]5(O)[C@H]67)[C@@H]1OC(=O)c1ccc(OC)c(OC)c1 ZINC000255271334 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1 ZINC000255271451 JF Annotated Anodyne CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C/C=C\[C@H]2O[C@H]3C[C@H](C)O[C@H]3[C@@H]2O)C(=O)N1C ZINC000255271481 JF Annotated Mild CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C/C=C/[C@H]2O[C@H]3C[C@H](C)O[C@H]3[C@@H]2O)C(=O)N1C ZINC000255271482 JF Annotated Mild C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](OC(=O)[C@H](C)CC)[C@H]1[C@@H](OC(C)=O)[C@@H]73 ZINC000255271620 JF Annotated Mild CC(=O)O[C@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 ZINC000255272238 JF Annotated Anodyne C[C@H]([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000255272489 JF Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C ZINC000255272490 JF Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@@]21C ZINC000255272715 JF Annotated Mild C[C@H](O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C ZINC000255272823 JF Annotated Anodyne C/C=C/C=C/C(=O)[C@]12C(=O)C(C)=C(O)[C@@](C)(O)[C@H]1[C@H]1/C(=C(O)/C=C/C=C/C)C(=O)[C@]2(C)C(=O)[C@@]1(C)O ZINC000255273309 JF Annotated Mild C/C=C/C=C/C(=O)[C@@]12C(=O)C(C)=C(O)[C@](C)(O)[C@@H]1[C@@H]1/C(=C(O)\C=C\C=C\C)C(=O)[C@@]2(C)C(=O)[C@@]1(C)O ZINC000255273310 JF Annotated Mild C[C@@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000255273411 JF Annotated Mild C[C@@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000255273412 JF Annotated Mild C[C@@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000255273413 JF Annotated Mild C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000255273414 JF Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(/C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@@H](O)CC3=CC[C@@]12O ZINC000255274218 JF Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000255274219 JF Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@@H](O)CC3=CC[C@@]12O ZINC000255274220 JF Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]12O ZINC000255274221 JF Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23C(=O)C[C@@H](O)[C@@](C)(O)C1 ZINC000255276179 JF Annotated Anodyne C[C@@H]1C/C=C/[C@@H]2[C@H]3O[C@@]3(C)[C@H](C)[C@@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]32C(=O)C[C@H](O)[C@](C)(O)C1 ZINC000255276181 JF Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@@H](C[C@@H](C)[C@@]4(O)CC[C@]3(C)O4)[C@@H]2[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O ZINC000255277991 JF Annotated Anodyne CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)C[C@H](O)[C@H](O)CC1=C(O)C3=O ZINC000255279698 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C(=O)CCC(=O)[C@]5(C)[C@@H]4CC[C@@]23C)C1 ZINC000255280527 JF Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1 ZINC000255281758 JF Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)[C@]3(O)C(=O)[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255281915 JF Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000255282151 JF Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@@H]6[C@H]4CC[C@@]32C)C1 ZINC000255284297 JF Annotated Mild C[C@H]1C=C[C@H]2[C@@H]3C/C=C\C=C\C(=O)NCC[C@H](O)[C@@H]4NC(=O)/C(=C(/O)CC/C=C/[C@H]3C[C@H]12)C4=O ZINC000255285602 JF Annotated Mild C[C@H]1C=C[C@@H]2[C@H]3C/C=C\C=C\C(=O)NCC[C@H](O)[C@@H]4NC(=O)/C(=C(/O)CC/C=C/[C@@H]3C[C@@H]21)C4=O ZINC000255285604 JF Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3(O)CCCC(=O)[C@]23C)C1 ZINC000255285749 JF Annotated Anodyne C=C[C@](C)(CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(CO)CCC[C@@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O ZINC000255286037 JF Annotated Mild C[C@H](OC(=O)c1cccnc1)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C ZINC000255286165 JF Annotated Anodyne CC(C)[C@@H](C)[C@H]1O[C@H]1[C@@H](C)[C@H]1[C@@H](O)C[C@]2(O)C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)[C@H](O)[C@]12C ZINC000255286604 JF Annotated Anodyne CC1=C(O)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000255287265 JF Annotated Mild CO[C@H]1[C@@H](OC(C)=O)[CH][C@H]2C[C@H](C)[C@H](C)[C@@H](OC)[C@H]3[CH][C@H](OC)[C@@H](OC)[C@@H](OC)[C@H]3[C@H]2[C@@H]1OC ZINC000255287410 JF Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000255287413 JF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H]2[C@@H]([C@@H](O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(C=C(C)[C@H]1O)O4)C2(C)C ZINC000255287593 JF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@@H]([C@@H](O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(C=C(C)[C@H]1O)O4)C2(C)C ZINC000255287594 JF Annotated Anodyne CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@H]5O[C@H]5C(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000255287767 JF Annotated Anodyne CC(C)[C@H](O)[C@H](O)C[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000255288053 JF Annotated Anodyne O=C1C(=NNc2cccc3ccccc23)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)cc(O)c21 ZINC000256081095 JF Annotated Mild Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccccc4OCCN4CCOCC4)C3)OC2=O)cc1 ZINC000257245160 JF Annotated Anodyne Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccccc4OCCN4CCOCC4)C3)OC2=O)cc1 ZINC000257245161 JF Annotated Anodyne CC[C@H](C)[C@H](NC)C(=O)N[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C ZINC000257379840 JF Annotated Anodyne CC[C@H](C)[C@H](NC)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C ZINC000257379841 JF Annotated Anodyne CC[C@H](C)[C@H](NC)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C ZINC000257379842 JF Annotated Anodyne CC[C@H](C)[C@H](NC)C(=O)N[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C ZINC000257379843 JF Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@@]2(O)CCl ZINC000257434689 JF Annotated Reactive CC[C@H](C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@H]1CCCN1C ZINC000257439619 JF Annotated Anodyne CC[C@H](C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000257439620 JF Annotated Anodyne CC[C@H](C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@H]1CCCN1C ZINC000257439621 JF Annotated Anodyne CC[C@H](C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000257439622 JF Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@]2(O)CC[C@]3(O)[C@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000257441990 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@]3(O)[C@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000257441991 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@]3(O)[C@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000257441992 JF Annotated Mild CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@]3(O)[C@H]4C[C@H](O)C5=CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)C1 ZINC000257441993 JF Annotated Mild C=C1[C@H]2[C@H](O)[C@@H]3C[C@@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)CC[C@H]1O)C3(C)C ZINC000257458108 JF Annotated Mild C=C1[C@H](O)CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@H](OC(C)=O)C[C@@H]([C@H](O)[C@@H]12)C3(C)C ZINC000257458109 JF Annotated Mild C=C1[C@H](O)CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@H](OC(C)=O)C[C@@H]([C@@H](O)[C@@H]12)C3(C)C ZINC000257458110 JF Annotated Mild C=C1[C@H]2[C@@H](O)[C@@H]3C[C@@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)CC[C@H]1O)C3(C)C ZINC000257458111 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)CC[C@]3(O)[C@H]4C[C@@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000257502603 JF Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@](C)(O)[C@]2(O)CC[C@]3(O)[C@H]4C[C@@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000257502604 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@]3(O)[C@H]4C[C@@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000257502605 JF Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@]3(O)[C@H]4C[C@@H]5O[C@@]56CCCC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1 ZINC000257502606 JF Annotated Anodyne Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000257509611 JF Annotated Anodyne Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@]12O)CC(C)(C)[C@H]3O ZINC000257509612 JF Annotated Anodyne Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@@]12O)CC(C)(C)[C@H]3O ZINC000257509613 JF Annotated Anodyne CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)(C)O)C2=C[C@H](OC(=O)CC(C)C)[C@@]3(CO3)[C@@H]21 ZINC000257521576 JF Annotated Anodyne Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@H]3O ZINC000257527427 JF Annotated Reactive Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@H]3O ZINC000257527428 JF Annotated Reactive C[C@@H]1C[C@@H]([C@@](C)(O)[C@@H]2CC[C@]3(O)[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000257544466 JF Annotated Mild C[C@@H]1C(=O)O[C@H]([C@@](C)(O)[C@@H]2CC[C@]3(O)[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)C[C@H]1C ZINC000257544467 JF Annotated Mild C[C@H]1C[C@@H]([C@@](C)(O)[C@@H]2CC[C@]3(O)[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)OC(=O)[C@H]1C ZINC000257544468 JF Annotated Mild C[C@H]1C[C@@H]([C@@](C)(O)[C@@H]2CC[C@]3(O)[C@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC[C@]23C)OC(=O)[C@@H]1C ZINC000257544469 JF Annotated Mild CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@H]2O[C@H]3C[C@@H](C)O[C@H]3[C@H]2O)C(=O)N1C ZINC000257553728 JF Annotated Mild CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@H]2O[C@H]3C[C@@H](C)O[C@H]3[C@@H]2O)C(=O)N1C ZINC000257553729 JF Annotated Mild CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@H]2O[C@H]3C[C@@H](C)O[C@@H]3[C@H]2O)C(=O)N1C ZINC000257553730 JF Annotated Mild CC(C)[C@H]1C(O)=C(C(=O)/C=C/C=C/C=C/C=C\C=C\[C@H]2O[C@H]3C[C@@H](C)O[C@@H]3[C@@H]2O)C(=O)N1C ZINC000257553731 JF Annotated Mild CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000257559317 JF Annotated Anodyne C[C@@](O)([C@@H]1C[C@]2(C)O[C@@]2(C)C(=O)O1)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45[C@H](O)C=CC(=O)[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257628997 JF Annotated Mild C[C@@](O)([C@@H]1C[C@@]2(C)O[C@]2(C)C(=O)O1)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45[C@H](O)C=CC(=O)[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257628998 JF Annotated Mild C[C@@](O)([C@@H]1C[C@@]2(C)O[C@@]2(C)C(=O)O1)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45[C@H](O)C=CC(=O)[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257628999 JF Annotated Mild C[C@@](O)([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45[C@H](O)C=CC(=O)[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257629000 JF Annotated Mild CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C=C1C=O ZINC000257793291 JF Annotated Reactive CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C=C1C=O ZINC000257793292 JF Annotated Reactive CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1C=O ZINC000257793293 JF Annotated Reactive CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)C=C1C=O ZINC000257793294 JF Annotated Reactive COC(=O)[C@@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(Cl)cc1 ZINC000026000983 JF Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(Cl)cc1 ZINC000026000992 JF Annotated Anodyne C(C#Cc1ncnc2c1ncn2[C@@H]1CCCCO1)#Cc1ncnc2c1ncn2[C@@H]1CCCCO1 ZINC000026001411 JF Annotated Mild C(C#Cc1ncnc2c1ncn2[C@H]1CCCCO1)#Cc1ncnc2c1ncn2[C@@H]1CCCCO1 ZINC000026001418 JF Annotated Mild C(C#Cc1ncnc2c1ncn2[C@H]1CCCCO1)#Cc1ncnc2c1ncn2[C@H]1CCCCO1 ZINC000026001430 JF Annotated Mild CCC1(CC)C(=O)N(COC(=O)NS(=O)(=O)c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000026008241 JF Annotated Anodyne CCC1(CC)C(=O)N(COC(=O)NS(=O)(=O)c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000026008247 JF Annotated Anodyne CN(C)CCCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)n(Cc2ccccc2)n1 ZINC000026028964 JF Annotated Anodyne CC(C)Cn1c(=O)n(-c2cncn2C)c(=O)c2[nH]c(Cc3ccc(Br)cc3)nc21 ZINC000026144907 JF Annotated Anodyne CN(C)CCNC(=O)c1cc2c3c(ccc(Cl)c3n1)C(=O)c1c(C(=O)NCCN(C)C)cccc1-2 ZINC000026152973 JF Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3cc(N4CCOCC4)c(Br)cn3)nc2c1 ZINC000026156044 JF Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3cc(N4CCOCC4)c(Br)cn3)nc2c1 ZINC000026156052 JF Annotated Anodyne N=C(c1ccc(CN2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2=O)cc1)N1CCC1 ZINC000026171048 JF Annotated Anodyne CC/C(=N\c1cc(Cl)cc2nc(N3CCN(C)CC3)c(N3CCN(C)CC3)nc12)N(C)C ZINC000026172791 JF Annotated Mild CN(C)C(=N)c1ccc(CN2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2=O)cc1 ZINC000026177084 JF Annotated Anodyne CC(C)OP(=O)(COCCn1c(Br)nc2c(N)nc(N)nc21)OC(C)C ZINC000026181966 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3c(C)oc[n+]3C)c(F)c2)C(=O)O1 ZINC000026189823 JF Annotated Anodyne O=C(C[C@@H](O)CCc1ccc(O)c(O)c1)O[C@H]1Cc2cc(O)c(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000026247163 JF Annotated Clean O=C(C[C@H](O)CCc1ccc(O)c(O)c1)O[C@H]1Cc2cc(O)c(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000026247172 JF Annotated Clean CSCC[C@H](NC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)C)cc2)CN1C/C=C/[C@@H](N)CS)C(=O)O ZINC000026255057 JF Annotated Mild C=CCN(CCOc1ccccc1)CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000026265366 JF Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OP(=O)(O)O)ccc3n(C)c12 ZINC000026267914 JF Annotated Bother CCOC(=O)[C@H](CCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C(=O)N(C)C1CCCCC1 ZINC000026274021 JF Annotated Anodyne CCN(CC)CCn1c2cc(N3CCN(C)CC3)c(N)cc2c(=O)c2c(OC)cc(OC)cc21 ZINC000026275493 JF Annotated Bother O=C1[C@@H](Cc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N1CS(=O)(=O)c1ccccc1 ZINC000026275695 JF Annotated Anodyne O=C1[C@H](Cc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N1CS(=O)(=O)c1ccccc1 ZINC000026275700 JF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4cccc(CSCCC#N)c4)cc3)C[C@H]12 ZINC000026277389 JF Annotated Mild CCOC(=O)C(Cl)=C1CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1 ZINC000026279878 JF Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OS(C)(=O)=O)ccc3n(C)c12 ZINC000026280124 JF Annotated Bother Cc1nc2c(OCc3ccccc3)cccn2c1[C@@H](C)SCCNC1=NS(=O)N=C1N ZINC000026290942 JF Annotated Anodyne Cc1nc2c(OCc3ccccc3)cccn2c1[C@H](C)SCCNC1=NS(=O)N=C1N ZINC000026290948 JF Annotated Anodyne CC(=O)[C@@H]1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)C1 ZINC000026376340 JF Annotated Bother CC(=O)[C@@H]1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1 ZINC000026376342 JF Annotated Bother CC(=O)[C@@H]1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)C1 ZINC000026376344 JF Annotated Bother CC(=O)[C@@H]1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1 ZINC000026376345 JF Annotated Bother N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccccc4s3)CC[C@H]12)c1ccccc1 ZINC000026378176 JF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](c2ccccc2)n2nnn(CC)c2=O)CC1 ZINC000026385462 JF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](c2ccccc2)n2nnn(CC)c2=O)CC1 ZINC000026385466 JF Annotated Anodyne C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000026402394 JF Annotated Mild COc1ccc(NC(=O)C(=O)O)cc1C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000026495561 JF Annotated Reactive CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@@H]1CC[C@@H](O)CC1 ZINC000261075212 JF Annotated Anodyne C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3nccc(N4CCOCC4)n3)C2)cc1 ZINC000261079168 JF Annotated Anodyne C[C@@H]1CN(CCc2ccccc2)[C@H]2C[C@H](NC(=O)CCNC(=N)N)C[C@@]1(c1cccc(O)c1)C2 ZINC000261083101 JF Annotated Anodyne C[C@H]1CN(CCc2ccccc2)[C@H]2C[C@H](NC(=O)CCNC(=N)N)C[C@@]1(c1cccc(O)c1)C2 ZINC000261083102 JF Annotated Anodyne CC[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C)c3)cc12 ZINC000261087066 JF Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1 ZINC000261087133 JF Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261088257 JF Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261088258 JF Annotated Anodyne Cc1c([C@@H](CO)NC[C@H]2CCCCN2C[C@H](O)c2ccc3c(c2C)COC3=O)ccc2c1COC2=O ZINC000261097193 JF Annotated Anodyne Cc1c([C@@H](CO)NC[C@@H]2CCCCN2C[C@H](O)c2ccc3c(c2C)COC3=O)ccc2c1COC2=O ZINC000261097194 JF Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000261098792 JF Annotated Anodyne CCC(=O)N1C[C@H]2C[C@@H](Nc3c(C(N)=O)cnn4cc(-c5ccc(F)nc5)cc34)[C@H](C)[C@H]2C1 ZINC000261101992 JF Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@H](Oc4ccc(Br)cn4)[C@H]2C3)n1 ZINC000261102253 JF Annotated Anodyne CC[C@@H]1CN(C(=O)C(C)(C)O)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccnc(C)c3)cc12 ZINC000261110829 JF Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000261114935 JF Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@H](C(=O)O)[C@H](C)O ZINC000261120501 JF Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@H](C(=O)O)[C@@H](C)O ZINC000261120503 JF Annotated Anodyne CCN(C)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261132138 JF Annotated Anodyne CCN(C)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261132140 JF Annotated Anodyne COc1cc(C#CC2=C[C@H]([C@H]3CCN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c32)cc(OC)c1 ZINC000261139901 JF Annotated Mild COc1cc(C#CC2=C[C@@H]([C@H]3CCN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c32)cc(OC)c1 ZINC000261139903 JF Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnc(N(C)S(C)(=O)=O)nc3)c2cn1)c1ccccc1 ZINC000261144493 JF Annotated Anodyne CC(C)n1cc(C(=O)c2cnc(O)c(NC(=O)Cn3cc(C(F)(F)F)nn3)c2)c2cncnc21 ZINC000261148792 JF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4C[C@@H]5C[C@H]4CO5)ncc3Cl)C2)cc1 ZINC000261149373 JF Annotated Anodyne CC[C@H]1CN(C(=O)C2(C#N)CC2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccc(C)nc3)cc12 ZINC000261155904 JF Annotated Mild C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3nc(N4CCOCC4)ncc3F)C2)cc1 ZINC000261163997 JF Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(c2cnccn2)CC1 ZINC000261168203 JF Annotated Anodyne [C-]#[N+][C@H]1C[C@H](OC(C)=O)[C@@H](O)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000261169255 JF Annotated Reactive COCC(F)(F)CN1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn([C@H]4CCOC4)c23)CC1 ZINC000261169830 JF Annotated Anodyne C[C@H](NC(=O)Nc1ccon1)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261171194 JF Annotated Anodyne C[C@H](NC(=O)Nc1ccon1)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261171196 JF Annotated Anodyne COC(=O)C12CC3C[C@@H](C1)C(Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)[C@@H](C3)C2 ZINC000261179365 JF Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1ncnc2c1CCN(S(=O)(=O)Nc1ccncn1)C2 ZINC000261183480 JF Annotated Anodyne C[C@H](NC(=O)c1ccns1)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261183777 JF Annotated Anodyne C[C@H](NC(=O)c1ccns1)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261183778 JF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@@H]4CCOC4)ncc3F)C2)cc1 ZINC000261191452 JF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@H]4CCOC4)ncc3F)C2)cc1 ZINC000261191453 JF Annotated Anodyne CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(S(N)(=O)=O)cc1 ZINC000263591598 JF Annotated Mild CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(S(N)(=O)=O)cc1 ZINC000263591599 JF Annotated Mild COc1ccc(N=c2scc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CCCO)cc1 ZINC000263592301 JF Annotated Anodyne C=CCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@](O)(c3ccccc3)[C@H]2C(=O)OC)cc1OC ZINC000263596248 JF Annotated Mild C=CCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@@](O)(c3ccccc3)[C@H]2C(=O)OC)cc1OC ZINC000263596249 JF Annotated Mild C=CCOc1ccc([C@@H]2[C@H](C(=O)OC)C(=O)C[C@@](O)(c3ccccc3)[C@@H]2C(=O)OC)cc1OC ZINC000263596250 JF Annotated Mild N#Cc1c2c(c(-c3cccs3)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1=S)CCc1ccccc1-2 ZINC000263607767 JF Annotated Mild N#Cc1c2c(c(-c3cccs3)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1=S)CCc1ccccc1-2 ZINC000263607768 JF Annotated Mild Nc1nc(S)nc(O)c1N=Nc1c(Br)cc(S(N)(=O)=O)cc1Br ZINC000263608757 JF Annotated Anodyne CNC(=O)c1ccc(N2C=C[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000263620238 JF Annotated Anodyne CCOC(=O)c1csc(-c2nc(-c3csc([C@H](CCCNC(=N)N)NC)n3)oc2C)n1 ZINC000263620261 JF Annotated Anodyne O=S(=O)(O)c1cc(NCS)ccc1CCc1ccc(NCS)cc1S(=O)(=O)O ZINC000263620704 JF Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@H](O)CC[C@@H]4[C@@H]3C[C@H](OC(=O)/C=C(/C)C(C)C)[C@]12C ZINC000263636636 JF Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@H](O)CC[C@@H]4[C@@H]3C[C@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000263636637 JF Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@H](O)CC[C@@H]4[C@@H]3C[C@H](OC(=O)/C=C(/C)C(C)C)[C@@]12C ZINC000263636638 JF Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@H](O)CC[C@@H]4[C@@H]3C[C@H](OC(=O)/C=C(\C)C(C)C)[C@@]12C ZINC000263636639 JF Annotated Anodyne CN1Cc2cccnc2[C@@H](N2CCN(C(=O)Cc3cc[n+]([O-])cc3)CC2)c2ccc(Cl)cc21 ZINC000026505977 JF Annotated Anodyne CN1Cc2cccnc2[C@H](N2CCN(C(=O)Cc3cc[n+]([O-])cc3)CC2)c2ccc(Cl)cc21 ZINC000026505982 JF Annotated Anodyne O=C(Cc1ccncc1)N1CCN([C@@H]2c3ccc(Cl)cc3S(=O)(=O)Cc3cccnc32)CC1 ZINC000026508860 JF Annotated Anodyne O=C(Cc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3S(=O)(=O)Cc3cccnc32)CC1 ZINC000026508866 JF Annotated Anodyne COc1ccccc1[C@H]1COC[C@@]2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1 ZINC000026568552 JF Annotated Anodyne COc1ccccc1[C@H]1COC[C@]2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1 ZINC000026568555 JF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCn2nnn(CC)c2=O)CC1 ZINC000026570510 JF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CCN(CCn2nnn(CC)c2=O)CC1 ZINC000026571356 JF Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCn2nnn(CC)c2=O)CC1 ZINC000026572482 JF Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc(-c2ncon2)c2ncnc1-2 ZINC000026575963 JF Annotated Anodyne O[C@@H](CN1CCN([C@@H](c2ccccc2)c2ccncc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026576092 JF Annotated Anodyne O[C@H](CN1CCN([C@@H](c2ccccc2)c2ccncc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026576093 JF Annotated Anodyne O[C@@H](CN1CCN([C@H](c2ccccc2)c2ccncc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026576094 JF Annotated Anodyne O[C@H](CN1CCN([C@H](c2ccccc2)c2ccncc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21 ZINC000026576095 JF Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-c3ncon3)ncnc21 ZINC000026577275 JF Annotated Anodyne CCn1cc(C(=O)N[C@@H]2CCc3cc(NC(C)=O)ccc32)c(=O)c2cnc(N3CCCC3)nc21 ZINC000026578021 JF Annotated Anodyne CCn1cc(C(=O)N[C@H]2CCc3cc(NC(C)=O)ccc32)c(=O)c2cnc(N3CCCC3)nc21 ZINC000026578022 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5ccccn5)no4)CC3)c(F)c2)C(=O)O1 ZINC000026637405 JF Annotated Anodyne CN(C(=O)CNC(=O)CN1CCOCC1)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000026648048 JF Annotated Anodyne O=C1O/C(=C\Cn2cc(F)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000026649380 JF Annotated Anodyne COC(=O)c1c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2[n+]([O-])c1C(=O)OC ZINC000026672003 JF Annotated Anodyne COc1ccccc1OCCN(CCC(=O)N1CCCOc2c1cnn(C)c2=O)Cc1ccccc1 ZINC000026720412 JF Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cccc(-c4ccc(C[n+]5ccccc5N)cc4)c3)C[C@H]12 ZINC000026730537 JF Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(CO)c35)[nH]c2c(OC)c1OC ZINC000026743813 JF Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(-c4n(C)cc[n+]4C)c4oc5ccccc5c4c3)C[C@H]12 ZINC000026747921 JF Annotated Anodyne CN(C(=O)OC(C)(C)C)C1=C(O)[C@@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)OC1=O ZINC000026833259 JF Annotated Anodyne CN(C(=O)OC(C)(C)C)C1=C(O)[C@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)OC1=O ZINC000026833263 JF Annotated Anodyne CN(C(=O)OC(C)(C)C)C1=C(O)[C@@](CCc2ccccc2)(C(=O)NC[C@H]2CCCO2)OC1=O ZINC000026833267 JF Annotated Anodyne CN(C(=O)OC(C)(C)C)C1=C(O)[C@](CCc2ccccc2)(C(=O)NC[C@H]2CCCO2)OC1=O ZINC000026833271 JF Annotated Anodyne O=C(O)c1cn(CCF)c2c(OC(F)F)c(N3CCN(c4ncccn4)CC3)c(F)cc2c1=O ZINC000026834945 JF Annotated Anodyne N=C(N)NCCS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3nc3ccc(N)cc23)cc1 ZINC000026838211 JF Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccc(F)cc4)CC3)c(F)c2)C(=O)O1 ZINC000026838306 JF Annotated Anodyne C[C@@H](CC(=O)O)N[C@@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000026838392 JF Annotated Anodyne C[C@H](CC(=O)O)N[C@@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000026838396 JF Annotated Anodyne C[C@@H](CC(=O)O)N[C@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000026838399 JF Annotated Anodyne C[C@H](CC(=O)O)N[C@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000026838403 JF Annotated Anodyne N=C(N)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3nc3ccc(N)cc23)cc1 ZINC000026842867 JF Annotated Clean C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCN=C(N)N)cc2)c2ccc(N)cc21 ZINC000026842872 JF Annotated Mild NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026844787 JF Annotated Clean C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCNC(=O)CCN)cc2)c2ccccc21 ZINC000026846977 JF Annotated Clean N=C(N)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)cc1 ZINC000026846997 JF Annotated Clean CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026850508 JF Annotated Anodyne O=C(O)C[C@@H]1Nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2CN(CCc2cccnc2)C1=O ZINC000026937655 JF Annotated Anodyne COc1cc([C@@H]2S[C@@H](C)C(=O)N2[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc(OC)c1O ZINC000026956055 JF Annotated Bother COc1cc([C@H]2S[C@@H](C)C(=O)N2[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc(OC)c1O ZINC000026956069 JF Annotated Bother COc1cc([C@H]2S[C@H](C)C(=O)N2[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc(OC)c1O ZINC000026956084 JF Annotated Bother CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000026978203 JF Annotated Anodyne CN(C)CCNC(=O)c1ccc2c3c1nc1ccc([N+](=O)[O-])cc1c3[nH]n2CCN1CCCC1 ZINC000026982151 JF Annotated Bother C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](OC(=O)CCC(=O)O)/C=C/C(=O)O1 ZINC000026989080 JF Annotated Anodyne CN1C(=O)[C@@]23CCCCN2C[C@@]12C[C@@]1(C(=O)Nc4c1ccc1c4OCC(=O)C(C)(C)O1)C(C)(C)[C@H]2C3 ZINC000027081838 JF Annotated Anodyne CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)/C(=C/CO)[C@@H]2SC1 ZINC000027088095 JF Annotated Anodyne C=CCn1c(=S)n([C@@H]2O[C@H](COCc3ccccc3)[C@H]3OC(C)(C)O[C@H]32)c2nc(N)[nH]c(=O)c21 ZINC000027102179 JF Annotated Mild C=CCn1c(=S)n([C@@H]2O[C@@H](COCc3ccccc3)[C@H]3OC(C)(C)O[C@H]32)c2nc(N)[nH]c(=O)c21 ZINC000027102182 JF Annotated Mild C=CCn1c(=S)n([C@H]2O[C@H](COCc3ccccc3)[C@H]3OC(C)(C)O[C@@H]23)c2nc(N)[nH]c(=O)c21 ZINC000027102186 JF Annotated Mild C=CCn1c(=S)n([C@H]2O[C@@H](COCc3ccccc3)[C@H]3OC(C)(C)O[C@@H]23)c2nc(N)[nH]c(=O)c21 ZINC000027102190 JF Annotated Mild CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)N[C@@H]1C(=O)N(C)N(C(C)C)C(=O)c2ccccc21 ZINC000027107161 JF Annotated Anodyne CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)N[C@H]1C(=O)N(C)N(C(C)C)C(=O)c2ccccc21 ZINC000027107164 JF Annotated Anodyne COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1NC(=O)[C@H](C)NC(C)=O ZINC000027180064 JF Annotated Anodyne C/C(=C\c1ncc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027182137 JF Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cccc(Br)n4)CC3)c(F)c2)C(=O)O1 ZINC000027197210 JF Annotated Anodyne Cc1cc(OCCCON=C(N)N)cc(C(=O)N(CCCCCC(N)=O)C2CCCCC2)c1 ZINC000027204414 JF Annotated Mild COc1ccc(N)cc1C[C@@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000027208996 JF Annotated Anodyne COc1ccc(N)cc1C[C@]12C[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@H]1Nc1ccccc12 ZINC000027210095 JF Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@@]1(Cc3cc([N+](=O)[O-])ccc3O)c3ccccc3N[C@@H]21 ZINC000027212117 JF Annotated Bother O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@]1(Cc3cc([N+](=O)[O-])ccc3O)c3ccccc3N[C@H]21 ZINC000027212328 JF Annotated Bother CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CC[C@H](C(=O)c3csc(CN4CCCCC4)n3)[C@@H]21 ZINC000027299583 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)CCN1S(=O)(=O)c1ccc(C)cc1 ZINC000027304723 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)CCN1S(=O)(=O)c1ccc(C)cc1 ZINC000027304725 JF Annotated Anodyne Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000027311085 JF Annotated Mild Cc1nc(/N=N/c2cc(S(=O)(=O)O)ccc2Cl)c(COP(=O)(O)O)c(C=O)c1O ZINC000027331209 JF Annotated Clean CCOC(=O)c1cnoc1C1=CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1 ZINC000027416275 JF Annotated Anodyne CS(=O)(=O)OC[C@@H]1CN(S(C)(=O)=O)c2cc(OCc3ccccc3)c(Br)cc21 ZINC000027417269 JF Annotated Mild CS(=O)(=O)OC[C@H]1CN(S(C)(=O)=O)c2cc(OCc3ccccc3)c(Br)cc21 ZINC000027417273 JF Annotated Mild Nc1c(F)c(N2C[C@@H](N)[C@@H](c3ccc(O)cc3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027419480 JF Annotated Anodyne Nc1c(F)c(N2C[C@H](c3ccc(O)cc3)[C@@H](N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027419484 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(=O)NCCc2ccccc2)C3)C(=O)O1 ZINC000027421522 JF Annotated Anodyne N=C(NN=Cc1ccc(-c2cn3cc(C=NNC(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1 ZINC000027436400 JF Annotated Anodyne C(/C=C/c1ccc2nc(-c3ccc(/C=C/C=N\NC4=NCCCN4)cc3)cn2c1)=N/N=C1NCCCN1 ZINC000027436573 JF Annotated Mild C(/C=C/c1ccc2nc(-c3ccc(/C=C/C=N/NC4=NCCCN4)cc3)cn2c1)=N/N=C1NCCCN1 ZINC000027436578 JF Annotated Mild C(/C=C/c1ccc(-c2cn3cc(/C=C/C=N/NC4=NCCCN4)ccc3n2)cc1)=N/N=C1NCCCN1 ZINC000027436581 JF Annotated Mild C(=C/c1ccc(-c2cn3cc(/C=C/C=N/NC4=NCCCN4)ccc3n2)cc1)\C=N\N=C1NCCCN1 ZINC000027436586 JF Annotated Mild COc1cc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)COC(C)=O)cc(OC)c1OC ZINC000027437247 JF Annotated Anodyne COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)COC(C)=O)cc(OC)c1OC ZINC000027437251 JF Annotated Anodyne CCOC(=O)C(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000027518119 JF Annotated Anodyne CCOC(=O)C(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000027518120 JF Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C(C5OCCO5)=C[C@@]43C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000027520500 JF Annotated Anodyne C/C(=C\c1ncc([S@@](=O)c2ccccc2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027521751 JF Annotated Anodyne C/C(=C\c1ncc([S@](=O)c2ccccc2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027521754 JF Annotated Anodyne CN1CCN(c2nnnc3c2sc2nc(N4CCN(Cc5ccccc5)CC4)c(C#N)cc23)CC1 ZINC000027524499 JF Annotated Mild O=C(O)CCNC(=O)c1cn2c(c1-c1ccccc1)C(=O)N(CCC1CCNCC1)CCC2 ZINC000027525875 JF Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@H](C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N)C[C@@H](C)O1 ZINC000027526863 JF Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@H](C(C)=O)C[C@@H]3O[C@H]1C[C@@H](N)C[C@@H](C)O1 ZINC000027526865 JF Annotated Clean CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CC[C@@H](O)C4)nc3c2)n1 ZINC000027527049 JF Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CC[C@H](O)C4)nc3c2)n1 ZINC000027527050 JF Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCOCC4)nc3c2)n1 ZINC000027546653 JF Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/c4nnn[nH]4)c(N4CCC[C@@H](O)C4)nc3c2)n1 ZINC000027546672 JF Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/c4nnn[nH]4)c(N4CCC[C@H](O)C4)nc3c2)n1 ZINC000027546674 JF Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)O)c(N4CCN(C)CC4)nc3c2)n1 ZINC000027548045 JF Annotated Anodyne Clc1cccc2c1[C@H](/C=N/N=C1NCCN1)c1cccc(Cl)c1[C@@H]2/C=N/NC1=NCCN1 ZINC000027560569 JF Annotated Mild Clc1cccc2c1[C@@H](/C=N/N=C1NCCN1)c1cccc(Cl)c1[C@@H]2/C=N/N=C1NCCN1 ZINC000027560573 JF Annotated Mild Clc1cccc2c1[C@@H](/C=N/N=C1NCCN1)c1cccc(Cl)c1[C@H]2/C=N/NC1=NCCN1 ZINC000027560576 JF Annotated Mild O=C(O)C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1cnc2ccccc2c1 ZINC000027617804 JF Annotated Anodyne IC(I)=C(I)Cn1cncn1 ZINC000027631474 JF Annotated Anodyne CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@]12CO2 ZINC000027632446 JF Annotated Anodyne CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@]23O[C@H]13 ZINC000027633252 JF Annotated Anodyne CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000027633413 JF Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@H](O)C(=O)[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]4(O)[C@@H]3CC[C@@H]2C1 ZINC000027634919 JF Annotated Anodyne IC(I)=C(I)Cn1ccnn1 ZINC000027637311 JF Annotated Anodyne CN1C(=O)[C@]23C[C@@H]4C(C)(C)[C@]5(C[C@@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000027639818 JF Annotated Anodyne CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@]5(C[C@@]41CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000027639823 JF Annotated Anodyne IC(I)=C(I)Cn1nccn1 ZINC000027648911 JF Annotated Anodyne COc1cc2c3c(n(CCCNCC(OC)OC)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000027650732 JF Annotated Clean CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O[C@@H]3CCCCO3)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027655313 JF Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O[C@H]3CCCCO3)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027655316 JF Annotated Anodyne CCN(CC)C(=O)c1c2nc3c(C(=O)N(CC)CC)c(N)c(O)c(C)c3oc-2c(C)c(=O)c1N ZINC000027712659 JF Annotated Bother CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN3CCCCC3)-c3ccccc3-n(c1=O)c24 ZINC000027757954 JF Annotated Anodyne N[C@@H](CCCCN[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl)C(=O)O ZINC000027764426 JF Annotated Reactive N[C@H](CCCCN[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl)C(=O)O ZINC000027764433 JF Annotated Reactive N[C@@H](CCCCN[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl)C(=O)O ZINC000027764439 JF Annotated Reactive N[C@H](CCCCN[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl)C(=O)O ZINC000027764445 JF Annotated Reactive CCCCCCC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000027896059 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000027896066 JF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2c(SC)ncc(C)c2=O)CC1 ZINC000027899385 JF Annotated Anodyne CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NC(=O)CCCC[n+]2ccccc2)cc1 ZINC000027983439 JF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2nnc(-c3ccccc3)n2)CC1 ZINC000027985648 JF Annotated Anodyne N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](OC(=O)Nc2ccc(I)cc2)C1 ZINC000027988547 JF Annotated Anodyne N[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@H](OC(=O)Nc2ccc(I)cc2)C1 ZINC000027994037 JF Annotated Anodyne N[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@H](OC(=O)Nc2ccc(I)cc2)C1 ZINC000027994478 JF Annotated Anodyne N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](OC(=O)Nc2ccc(I)cc2)C1 ZINC000027997341 JF Annotated Anodyne COc1cc(N)c(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2Cl)cc1OC ZINC000027999074 JF Annotated Anodyne COc1cc2nc3c(c4c2c(c1OC)N(C(=O)CN1CCN(C)CC1)CC4)CCc1cc(O)ccc1-3 ZINC000028005910 JF Annotated Anodyne CCSCC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028016897 JF Annotated Anodyne O=S(=O)(Nc1cccc(Br)c1)NS(=O)(=O)Nc1cccc(Br)c1 ZINC000028087417 JF Annotated Anodyne Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCN(C4CCCCC4)C3=N)cc2)no1 ZINC000028094663 JF Annotated Anodyne Cc1ncsc1C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028096391 JF Annotated Anodyne Cc1ccc2[nH]c(CNC(=O)c3ccc4c(c3)CN(Cc3ccccc3)C(=O)[C@H](CC(=O)O)N4)nc2n1 ZINC000028103566 JF Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)c(OCCCN)c1)C3=CC2=O ZINC000028106326 JF Annotated Mild COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc(F)c1)N(C)[C@@H]2c1cccc(F)c1 ZINC000028118228 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1cccc(C)c1)N(C)[C@@H]2c1cccc(C)c1 ZINC000028118235 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccccc1F)N(C)[C@@H]2c1ccccc1F ZINC000028118274 JF Annotated Anodyne COC(=O)CCNCCN(CCNCCC(=O)OC)CCNC1CCCCCCCCCCC1 ZINC000028243215 JF Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(CCC(=O)CCc4ccoc4)CCC(=O)NC3=O)cc2c1=O ZINC000028251883 JF Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(CCC(=O)CCc4ccoc4)CCC(=O)NC3=O)cc2c1=O ZINC000028251890 JF Annotated Anodyne Cc1ccc2ccc(NC(=O)CCNCCNCCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1 ZINC000028340034 JF Annotated Anodyne CCN(CC)CCN1C(=O)[C@@](O)(c2cccc(OC)c2)c2c1cc(C(N)=O)cc2C(F)(F)F ZINC000028341740 JF Annotated Anodyne CCN(CC)CCN1C(=O)[C@@](O)(c2ccccc2OC)c2c1cc(C(N)=O)cc2C(F)(F)F ZINC000028342261 JF Annotated Anodyne O=C1O[C@@H](CO[C@@H]2CNCCN2)CN1c1ccc(N2CCN(c3ccccc3Cl)CC2)c(F)c1 ZINC000028351941 JF Annotated Anodyne O=C1O[C@@H](CO[C@H]2CNCCN2)CN1c1ccc(N2CCN(c3ccccc3Cl)CC2)c(F)c1 ZINC000028351951 JF Annotated Anodyne O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccn3)n2)n2n1CC1(C2)OCCO1 ZINC000028352131 JF Annotated Anodyne C=C(C)CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cccnc1 ZINC000028355318 JF Annotated Mild C=C(C)CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cccnc1 ZINC000028355326 JF Annotated Mild C=C(C)CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028358507 JF Annotated Mild C=C(C)CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028358515 JF Annotated Mild COc1cccc(N2CCN(c3ccc(N4C[C@H](CN(N)C=S)OC4=O)cc3F)CC2)c1 ZINC000028360969 JF Annotated Anodyne Nc1ccccc1CNc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CC2(C3)OCCO2)n1 ZINC000028364641 JF Annotated Anodyne NCCCN(CCCN1CCN(CCC/N=C2\C=CN[C@@H]3C=C(Cl)C=C[C@H]23)CC1)CC1CC1 ZINC000028369899 JF Annotated Mild NCCCN(CCCN1CCN(CCC/N=C2\C=CN[C@H]3C=C(Cl)C=C[C@H]23)CC1)CC1CC1 ZINC000028369906 JF Annotated Mild COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028390827 JF Annotated Anodyne COc1c(N2C[C@H]3NCCC[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028390833 JF Annotated Anodyne CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)Nc2nc(CC(=O)NO)cs2)n1 ZINC000028458854 JF Annotated Bother C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)OC4CCN(C)CC4)cn1c23 ZINC000028464509 JF Annotated Anodyne CCC1(CC)C(=O)N([C@@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000028469255 JF Annotated Anodyne CCC1(CC)C(=O)N([C@@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@H]1S(=O)(=O)c1ccccc1 ZINC000028469258 JF Annotated Anodyne CCC1(CC)C(=O)N([C@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000028469262 JF Annotated Anodyne CCC1(CC)C(=O)N([C@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@H]1S(=O)(=O)c1ccccc1 ZINC000028469264 JF Annotated Anodyne C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)OCCN4CCCC4)cn1c23 ZINC000028470723 JF Annotated Anodyne CC(=O)OC/C(=C(\C(=O)OCC[N+](C)(C)C)c1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000028471870 JF Annotated Bother C=C(NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC ZINC000028478225 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000028522372 JF Annotated Bother O=C(OCc1ccccc1)[C@@H]1CC(=O)N1[C@@H](C(=O)NCc1[nH]cc2cncnc12)c1ccccc1 ZINC000028524696 JF Annotated Anodyne O=C(OCc1ccccc1)[C@H]1CC(=O)N1[C@@H](C(=O)NCc1[nH]cc2cncnc12)c1ccccc1 ZINC000028524697 JF Annotated Anodyne O=C(OCc1ccccc1)[C@@H]1CC(=O)N1[C@H](C(=O)NCc1[nH]cc2cncnc12)c1ccccc1 ZINC000028524698 JF Annotated Anodyne O=C(NCc1[nH]cc2cncnc12)[C@H](c1ccccc1)N1C(=O)C[C@@H]1C(=O)OCc1ccccc1 ZINC000028524699 JF Annotated Anodyne CCN(CC)CCNC(=S)NC[C@H]1CN(c2ccc(-n3nnc4ccccc43)c(F)c2)C(=O)O1 ZINC000028524960 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H](C)N(Cc4ccc([N+](=O)[O-])o4)[C@H](C)C3)c(F)c2)C(=O)O1 ZINC000028525009 JF Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(N3CCC(N(C)c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000028525559 JF Annotated Bother [O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3N3CNC=N3)nc12 ZINC000028525715 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(Br)o4)CC3)c(F)c2)C(=O)O1 ZINC000028525742 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCC(Nc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000028526366 JF Annotated Bother [O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12 ZINC000028526872 JF Annotated Anodyne O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2Cc2cc(/C=C/CN3CCOCC3)ccc2C1 ZINC000028527030 JF Annotated Anodyne Cc1oc(=O)oc1COC(=O)/N=C(\NC1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000028528145 JF Annotated Mild COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028529574 JF Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028529889 JF Annotated Anodyne CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1 ZINC000028536944 JF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028563617 JF Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028563619 JF Annotated Anodyne Cc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)[nH]c1=O ZINC000028567735 JF Annotated Anodyne in-vivo CCc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)[nH]c1=O ZINC000028567851 JF Annotated Anodyne Nc1nccc(-c2cc3c(-c4ccnc(N)n4)c4c(=O)cc[nH]c4n3c(NCc3ccccc3)n2)n1 ZINC000028568088 JF Annotated Anodyne N/C(=N\N=C\c1cc(I)cc(I)c1O)c1ccncc1 ZINC000028568658 JF Annotated Mild Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c(O)c1CC(=O)NCc1ccnc(N)c1 ZINC000028569528 JF Annotated Anodyne O=C(O)CCN1CSC(=S)N(CCCCCCN2CN(CCC(=O)O)CSC2=S)C1 ZINC000028569637 JF Annotated Anodyne CCCCCOc1c(OC)cc(N(C)CCCNC(=O)N[C@@H](CO)C(=O)O)c2nccc(CC)c12 ZINC000028639733 JF Annotated Clean C[C@H]1C(c2cn3cnc(C(=O)c4cnc5ccccc5c4)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000028641609 JF Annotated Anodyne C[C@H]1C(c2cn3cnc(C(=O)c4cn(C)c5ccccc45)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000028641809 JF Annotated Anodyne COc1cc(N(C)CCN(C)C)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 ZINC000028642091 JF Annotated Anodyne COc1cc(N2CC[C@@H](N(C)C)C2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 ZINC000028642093 JF Annotated Anodyne COc1cc(N2CC[C@H](N(C)C)C2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 ZINC000028642257 JF Annotated Anodyne COc1cc(N(C)[C@@H]2CCN(C)C2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 ZINC000028642568 JF Annotated Anodyne COc1cc(N(C)[C@H]2CCN(C)C2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 ZINC000028642570 JF Annotated Anodyne CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OCCN(C)C)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000028642639 JF Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCNC(=O)OCC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644022 JF Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCNC(=O)OCC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644025 JF Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCCNC(=O)c3ccno3)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644147 JF Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCCNC(=O)c3ccno3)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644150 JF Annotated Mild C#Cc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)[nH]c1=O ZINC000028644592 JF Annotated Mild C/C(=C\CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000028644697 JF Annotated Anodyne C/C(=C\CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000028644700 JF Annotated Anodyne CC#Cc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)[nH]c1=O ZINC000028644753 JF Annotated Mild C=C(C)C(=O)CC[C@@H](C)[C@@H]1CC[C@](C)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]2CCC(C)=C[C@@H]12 ZINC000028648493 JF Annotated Mild O=C(c1ccccc1F)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028653099 JF Annotated Anodyne O=C(c1cccc(F)c1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028653103 JF Annotated Anodyne O=C(c1ccc(F)cc1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028653107 JF Annotated Anodyne Cc1ccccc1C(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028653123 JF Annotated Anodyne Cc1cccc(C(=O)N2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)c1 ZINC000028653127 JF Annotated Anodyne Cc1ccc(C(=O)N2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)cc1 ZINC000028653131 JF Annotated Anodyne O=C(/C=C/c1ccccc1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028653149 JF Annotated Anodyne CCON(C)C(=O)c1cccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)c1 ZINC000028656003 JF Annotated Bother CC(C)O[C@@H]1C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000028656238 JF Annotated Bother N[C@H]1C[C@@H](N)CN(c2ncnc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)n2)C1 ZINC000028703884 JF Annotated Anodyne COCCCNNS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)cc(C(N)=O)c2N)cc1 ZINC000028703891 JF Annotated Anodyne NC(=O)c1cc(-c2ccccc2)cc(-c2ccc(S(=O)(=O)NNCCN3CCCC3)cc2)c1N ZINC000028703923 JF Annotated Anodyne CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NC(=O)CN(C)C)C(C)(C)O2 ZINC000028705835 JF Annotated Bother CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NC(=O)CN(C)C)C(C)(C)O2 ZINC000028705838 JF Annotated Bother CNS(=O)(=O)CCCN1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1 ZINC000028710359 JF Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(C[C@H](O)CN(C)C)CC3)nc3c(C)cccc32)n1 ZINC000028710365 JF Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(C[C@@H](O)CN(C)C)CC3)nc3c(C)cccc32)n1 ZINC000028710366 JF Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc([C@@H](O)C3CCNCC3)nc2)c(F)c1 ZINC000028711446 JF Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc([C@H](O)C3CCNCC3)nc2)c(F)c1 ZINC000028711447 JF Annotated Anodyne Cc1cn(CC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)cn1 ZINC000028711456 JF Annotated Anodyne Cc1nccn1CC(=O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711458 JF Annotated Anodyne O=C(CCCN1CCOCC1)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711462 JF Annotated Anodyne O=C(c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1)C1CCNCC1 ZINC000028711464 JF Annotated Anodyne CC[C@@H](NC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)C(=O)N(C)C ZINC000028711959 JF Annotated Anodyne O=C(OCc1ccccc1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000028712338 JF Annotated Anodyne COc1cc(-c2c3c(cc4cc5c(cc24)OCO5)C(=O)N(CCO)C3=O)cc(OC)c1OC ZINC000028712895 JF Annotated Anodyne CCN1C(=O)c2c(nc(C(N)=O)n2Cc2ccc(O)c(Cl)c2)N2C[C@@H](Cc3ccccc3)N=C12 ZINC000028756577 JF Annotated Anodyne N=C(N)SCCOc1oc(=O)c2cc(NC(=O)[C@@H](N)Cc3ccccc3)ccc2c1Cl ZINC000028757407 JF Annotated Anodyne N=C(N)SCCOc1oc(=O)c2cc(NC(=O)[C@H](N)Cc3ccccc3)ccc2c1Cl ZINC000028757858 JF Annotated Anodyne CCN1C(=O)c2c(nc(OC)n2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028758527 JF Annotated Anodyne O=C(c1ccccc1)n1c(=O)c(C(F)(F)F)cn([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)c1=O ZINC000028770312 JF Annotated Anodyne CC(=O)C[C@@H]1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)N2CCCCC2)OC1=O ZINC000028770377 JF Annotated Mild CC(=O)C[C@H]1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)N2CCCCC2)OC1=O ZINC000028770379 JF Annotated Mild O=C1[C@H]2[C@H]3CC[C@H]([C@H]4CC[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000028770908 JF Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1)[C@H]1CC[C@@H]31 ZINC000028770909 JF Annotated Anodyne Cn1cncc1CN1C[C@@H](N(Cc2cccnc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815051 JF Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2cccnc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815053 JF Annotated Mild N#CCSc1nnc(Cc2csc(NCCC(=O)O)n2)n1NC(=O)c1ccc(Cl)cc1 ZINC000028815494 JF Annotated Mild COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccc(Cl)cc1 ZINC000028815527 JF Annotated Anodyne Cn1cncc1CN1C[C@@H](N(Cc2ccccc2F)S(C)(=O)=O)Cc2cc(C#N)ccc21 ZINC000028815802 JF Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccccc2F)S(C)(=O)=O)Cc2cc(C#N)ccc21 ZINC000028815804 JF Annotated Mild CN(C)S(=O)(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815819 JF Annotated Mild CN(C)S(=O)(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815821 JF Annotated Mild CC(=O)OCC(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815949 JF Annotated Mild CC(=O)OCC(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815951 JF Annotated Mild CN(C)CC(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815965 JF Annotated Mild CN(C)CC(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815967 JF Annotated Mild Cn1cnc(S(=O)(=O)N(Cc2ccccc2)[C@H]2Cc3cc(C#N)ccc3N(Cc3cnc[nH]3)C2)c1 ZINC000028815980 JF Annotated Mild Cn1cnc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3cnc[nH]3)C2)c1 ZINC000028815982 JF Annotated Mild COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3ccc5c(c3)OCCO5)C4)c2n1 ZINC000028817422 JF Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3ccc5c(c3)OCCO5)C4)c2n1 ZINC000028817424 JF Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCc3ccc5c(n3)NC(=O)CO5)C4)c2c1 ZINC000028817446 JF Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(n3)NC(=O)CO5)C4)c2c1 ZINC000028817448 JF Annotated Anodyne CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)nc2ccccc21 ZINC000028820890 JF Annotated Anodyne CCS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)nc2ccccc21 ZINC000028820892 JF Annotated Anodyne O=c1n(Cc2nc3ccccc3n2CCCS(=O)(=O)C2CC2)c2cnccc2n1C1CC1 ZINC000028821072 JF Annotated Anodyne C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 ZINC000028821513 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cncn3C)C2)c1 ZINC000028821883 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cncn3C)C2)c1 ZINC000028821884 JF Annotated Anodyne COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCNC[C@@H](C)O ZINC000028822230 JF Annotated Anodyne COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCNC[C@H](C)O ZINC000028822231 JF Annotated Anodyne CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc([N+](=O)[O-])cc1)n2CCC(N)=O)C1CCCCC1 ZINC000028822745 JF Annotated Bother CCCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OC)N1C(=O)OC ZINC000028823722 JF Annotated Anodyne C[C@H]1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1 ZINC000028824419 JF Annotated Anodyne O=C(N[C@H]1C[C@H](CO)C[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 ZINC000028826182 JF Annotated Anodyne O=C(N[C@@H]1COC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028826200 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN([C@H](C)c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000028861888 JF Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(N3CCN([C@@H](C)c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000028861890 JF Annotated Bother Cc1ccc(CN2C(=O)[C@H]([C@@H]3SC(=S)N(CCS(=O)(=O)O)C3=O)c3ccccc32)cc1 ZINC000028863721 JF Annotated Clean Cc1ccc(CN2C(=O)[C@H]([C@H]3SC(=S)N(CCS(=O)(=O)O)C3=O)c3ccccc32)cc1 ZINC000028863723 JF Annotated Clean CCN(CC)C(=O)[C@@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C1 ZINC000028868218 JF Annotated Bother CCN(CC)C(=O)[C@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C1 ZINC000028868221 JF Annotated Bother Cc1ccc(S(=O)(=O)/N=C2\NC(=O)[C@@H](Cc3ccc(I)o3)S2)cc1 ZINC000028888552 JF Annotated Mild Cc1ccc(S(=O)(=O)/N=C2\NC(=O)[C@H](Cc3ccc(I)o3)S2)cc1 ZINC000028888556 JF Annotated Mild COc1ccc(Cl)cc1C[C@@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894300 JF Annotated Anodyne COc1ccc(Cl)cc1C[C@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894305 JF Annotated Anodyne CCOc1ccc(Cl)cc1C[C@@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894309 JF Annotated Anodyne CCOc1ccc(Cl)cc1C[C@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O ZINC000028894314 JF Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)C(NCCc2ccc(O)cc2)=CC4=NCC3)cc1 ZINC000028895571 JF Annotated Mild CS(=O)(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897186 JF Annotated Anodyne CCCS(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc([C@H](C)NS(C)(=O)=O)cc1 ZINC000028898250 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2c(-c4cc(C)n(C)n4)n[nH]c2-3)C(=O)O1 ZINC000028949274 JF Annotated Anodyne O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1)c1ccno1 ZINC000028949358 JF Annotated Anodyne COc1cccc2c1C[C@@H]1C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@H]1C2 ZINC000028949894 JF Annotated Bother CCN1C(NNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NS(=O)(=O)c2ccccc21 ZINC000028951316 JF Annotated Reactive CN1C(NNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NS(=O)(=O)c2cc(Cl)ccc21 ZINC000028951321 JF Annotated Reactive CCN1C(NNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)=NS(=O)(=O)c2ccccc21 ZINC000028951359 JF Annotated Reactive CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccccc3)C2)cc1 ZINC000028953701 JF Annotated Mild CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1 ZINC000028953703 JF Annotated Mild COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)N1CC1)OC3=O ZINC000028966504 JF Annotated Anodyne COCCOC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966609 JF Annotated Anodyne Cc1cc(C2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)ccc1-c1cccc(OCCO)c1 ZINC000028970146 JF Annotated Bother Cc1cc(C2CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC2)ccc1-c1cccc(OCCN)c1 ZINC000028970157 JF Annotated Bother C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000028972240 JF Annotated Anodyne C[C@H](CCCC(C)(C)O)[C@H]1CC[C@]2(O)C3=CC(=O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000028972244 JF Annotated Anodyne C[C@H](CCCNC(=O)CO)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028977951 JF Annotated Anodyne C[C@@H](NC(=O)Nc1cccc(-c2nnnn2C)c1)[C@@H](O)CN(CCCc1ccc(F)cc1)C1CC1 ZINC000029039053 JF Annotated Anodyne CC1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1 ZINC000029039430 JF Annotated Mild C[C@H]1CN([C@@H](CN(c2ccc(Oc3ccc(Cl)cc3)cc2)S(C)(=O)=O)C(=O)NO)C[C@@H](C)O1 ZINC000029039937 JF Annotated Bother Cc1ccc(Oc2ccc(N(C[C@@H](C(=O)NO)N3C[C@H](C)O[C@H](C)C3)S(C)(=O)=O)cc2)cc1 ZINC000029039962 JF Annotated Bother CCCc1ccc(S(=O)(=O)Nn2ccc(C)c(CC(=O)NCc3nccc(C)c3F)c2=O)cc1 ZINC000029040422 JF Annotated Anodyne N#Cc1ccc(NCC(F)(F)c2cccc(Cl)c2)c(F)c1CC(=O)NCCONC(=N)N ZINC000029043622 JF Annotated Mild COc1cc2c(=O)n(CCN(C)CCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000029044685 JF Annotated Bother CC#CCn1c(N2CCC[C@@H](N)C2)nc2c(C)nn(Cc3nc(C)cc4ccccc34)c(=O)c21 ZINC000029045197 JF Annotated Mild CC#CCn1c(N2CCC[C@H](N)C2)nc2c(C)nn(Cc3nc(C)cc4ccccc34)c(=O)c21 ZINC000029045200 JF Annotated Mild CCOC(=O)CNC(=O)CCCn1c(=O)c2c3ccccc3n(C)c2n2nnc(-c3ccccc3)c12 ZINC000029052860 JF Annotated Bother C=C(C)CN([C@H]1CNC[C@@H]1N(CC(=C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000029056030 JF Annotated Mild O=C(O)c1ccccc1C(=O)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 ZINC000029060685 JF Annotated Anodyne O=C(Nc1ccc(C(=O)O)cc1)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 ZINC000029060864 JF Annotated Anodyne O=C(Nc1cccc(C(=O)O)c1)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 ZINC000029060947 JF Annotated Anodyne O=C(NCc1ccccc1)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 ZINC000029061074 JF Annotated Anodyne Cc1ncn(CC(=O)OC(C)(C)C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125932 JF Annotated Anodyne CC(C)S(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 ZINC000029126126 JF Annotated Anodyne CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 ZINC000029126128 JF Annotated Anodyne NC(=O)CN1CCCN(c2ncccc2CNc2nncn2-c2cccc(Cl)c2Cl)CC1 ZINC000029126331 JF Annotated Anodyne C#CCOc1ccc(CCNC(=O)[C@@H](NS(=O)(=O)N(C)C)c2ccc(C(C)C)cc2)cc1OC ZINC000029126492 JF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](NS(=O)(=O)N(C)C)c2ccc(C(C)C)cc2)cc1OC ZINC000029126493 JF Annotated Mild O=C(OCC(Cl)(Cl)Cl)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000029127109 JF Annotated Clean CC(C)c1c(Cc2ccccc2)n(COCc2ccc3c(c2)c(=O)c(C(=O)O)cn3C)c(=O)[nH]c1=O ZINC000029127691 JF Annotated Anodyne Nc1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3ncnc(Cl)c32)OCc2ccccc21 ZINC000029128149 JF Annotated Anodyne Nc1ccccc1S(=O)(=O)N1C[C@H](n2cnc3ncnc(Cl)c32)OCc2ccccc21 ZINC000029128150 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)NC4CCCCCC4)CC3)c(F)c2)C(=O)O1 ZINC000029129122 JF Annotated Anodyne COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000029129456 JF Annotated Anodyne COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000029129791 JF Annotated Anodyne COc1cc(Cc2nnc(S)n2-c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC ZINC000029132345 JF Annotated Anodyne OCCN(CCO)CCCNc1c(Br)cccc1Nc1ncnc2ccncc12 ZINC000029133425 JF Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)c1cc(Cn2ccc(=O)n(C(=O)c3ccccc3)c2=O)on1 ZINC000029204800 JF Annotated Anodyne C[C@@H]1CC(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)C[C@@H](C)C2=O)C1=O ZINC000029206132 JF Annotated Bother CCOC(=O)Oc1cc2ccc(S(=O)(=O)[C@@H]3SC(=O)NC3=O)cc2cc1OC(=O)OCC ZINC000029212515 JF Annotated Anodyne CCOC(=O)Oc1cc2ccc(S(=O)(=O)[C@H]3SC(=O)NC3=O)cc2cc1OC(=O)OCC ZINC000029212520 JF Annotated Anodyne CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O ZINC000029217435 JF Annotated Anodyne Cc1nnsc1S(=O)(=O)NCCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21 ZINC000029221182 JF Annotated Anodyne Cc1nnsc1S(=O)(=O)NCCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21 ZINC000029221187 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)Oc3cccc4c3C(=O)C(N3CC3)=C(N3CC3)C4=O)cccc12 ZINC000029242952 JF Annotated Mild COC(=O)c1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC000029244710 JF Annotated Bother COC(=O)c1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1 ZINC000029245999 JF Annotated Bother CC(C)(C)c1ccc(S(=O)(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)cc1 ZINC000029247474 JF Annotated Mild COC(=O)c1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1 ZINC000029247934 JF Annotated Bother CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(N4C[C@@H]4c4ccc(F)cc4)c3c2F)CC1 ZINC000029315837 JF Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(N4C[C@H]4c4ccc(F)cc4)c3c2F)CC1 ZINC000029315841 JF Annotated Anodyne CC(C)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC12C[C@H]3C[C@H](CC(NCC(=O)O)(C3)C1)C2 ZINC000029342094 JF Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCC(N)=O)cccc12 ZINC000029346037 JF Annotated Clean COc1ccc(S(=O)(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])N[C@H](CNC(C)C)CC3)cc1 ZINC000029391656 JF Annotated Mild COc1ccc(S(=O)(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])N[C@@H](CNC(C)C)CC3)cc1 ZINC000029391661 JF Annotated Mild CC(C)NC[C@@H]1CCc2cc(/C=N/NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2N1 ZINC000029392333 JF Annotated Mild CC(C)NC[C@H]1CCc2cc(/C=N/NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2N1 ZINC000029392336 JF Annotated Mild O=C1C(N2CC2)=CC(=O)c2c(OS(=O)(=O)c3ccc(I)cc3)cccc21 ZINC000029395671 JF Annotated Mild CCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)n2nc(C)c(Br)c2C)cc1 ZINC000029398682 JF Annotated Anodyne CC(C)C(=O)N1C(=O)C2(SCCS2)[C@@H]2[C@@H]1CCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000029398746 JF Annotated Anodyne CCN(CC)C(=O)N1C(=O)C2(CCC2)[C@@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000029400555 JF Annotated Anodyne COc1ccc(N(Cc2ncc[nH]2)[C@@H]2c3cc(N)ccc3O[C@@](C)(C(OC)OC)[C@H]2O)cc1 ZINC000029401253 JF Annotated Clean COc1ccc(N(Cc2ncc[nH]2)[C@H]2c3cc(N)ccc3O[C@](C)(C(OC)OC)[C@@H]2O)cc1 ZINC000029402982 JF Annotated Clean CC(C)(C)OC(=O)CN1c2nc(-c3ccccc3)c(-c3ccccc3)nc2C(N)=NS1(=O)=O ZINC000029410178 JF Annotated Anodyne CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)c1ccccc1)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000029416711 JF Annotated Anodyne in-vivo CC1(C)N=C(N)NC(Nc2ccc(CCc3ccc(NC4=NC(C)(C)NC(=N)N4)cc3)cc2)=N1 ZINC000029462741 JF Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCC(N)=O)cccc12 ZINC000029472801 JF Annotated Clean CS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000029476236 JF Annotated Anodyne CC(=O)OCC(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029477305 JF Annotated Anodyne NCCCC[C@@H](N)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029480120 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(O[C@@H]3CCCN(C(=O)COCc4ccccc4)C3)c(F)c2)C(=O)O1 ZINC000029483567 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(O[C@H]3CCCN(C(=O)COCc4ccccc4)C3)c(F)c2)C(=O)O1 ZINC000029483571 JF Annotated Anodyne CCS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1ccc(C)cc1 ZINC000029484349 JF Annotated Anodyne COc1cc2c(c(OC(=O)COC(C)=O)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029489479 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)COCc4ccccc4)CC3)cc2)C(=O)O1 ZINC000029546363 JF Annotated Anodyne N#Cc1ccc(CN(Cc2cc(-c3ccccc3Cl)on2)[C@H](CCCN=C(N)N)C(N)=O)cc1 ZINC000029561551 JF Annotated Mild O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Br)cc1 ZINC000029565635 JF Annotated Reactive O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Br)cc1 ZINC000029565639 JF Annotated Reactive CCc1ccc(O[P@](=O)(N[C@H](C)C(=O)OC)OC[C@H]2C=C[C@@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000299804539 JF Annotated Anodyne CCCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@@H](n2cc(C)c(O)nc2=O)O1)Oc1ccccc1 ZINC000299804540 JF Annotated Anodyne O=C(NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000299806727 JF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1CCC[N@+]12[C@H](O)[C@H](Cc1ccccc1)NC(=O)N2Cc1ccccc1 ZINC000299806883 JF Annotated Mild CC(C)(C)NC(=O)[C@@H]1CCC[N@@+]12[C@H](O)[C@H](Cc1ccccc1)NC(=O)N2Cc1ccccc1 ZINC000299806884 JF Annotated Mild CC(C)(C)NC(=O)[C@@H]1CCC[N@@+]12[C@@H](O)[C@H](Cc1ccccc1)NC(=O)N2Cc1ccccc1 ZINC000299806885 JF Annotated Mild CC(C)(C)NC(=O)[C@@H]1CCC[N@+]12[C@@H](O)[C@H](Cc1ccccc1)NC(=O)N2Cc1ccccc1 ZINC000299806886 JF Annotated Mild CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CC[C@H](CNC(=O)OC[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1 ZINC000299807040 JF Annotated Anodyne O=C(NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000299807663 JF Annotated Anodyne CCN(CC)CCCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(C)cc21 ZINC000299809276 JF Annotated Anodyne CCN(CC)CCCn1c(=O)c(=Cc2ccccc2O)s/c1=C1\C(=O)Nc2ccc(C)cc21 ZINC000299809411 JF Annotated Anodyne CCN(CC)CCCn1c(=O)c(=Cc2ccc(F)cc2F)s/c1=C1\C(=O)Nc2ccccc21 ZINC000299809495 JF Annotated Anodyne N[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000299811107 JF Annotated Reactive CC(=O)N[C@@H]1CC[C@@H](N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)CC1 ZINC000299811969 JF Annotated Reactive COC(=O)[C@H](N[P@](=O)(OC[C@H]1C=C[C@@H](n2cc(C)c(O)nc2=O)O1)Oc1ccccc1)C(C)C ZINC000299812273 JF Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@]23CCC(=O)N(Cc2ccc(OC)cc2)C3=N1 ZINC000299813455 JF Annotated Anodyne CC(C)=CCC/C(C)=C\CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000299813761 JF Annotated Mild CC(C)=CCC/C(C)=C\CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000299813762 JF Annotated Mild CC(C)=CCC/C(C)=C/CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000299813763 JF Annotated Mild CC(C)=CCC/C(C)=C/CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000299813764 JF Annotated Mild CO[C@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 ZINC000299814254 JF Annotated Reactive CO[C@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 ZINC000299814255 JF Annotated Reactive CO[C@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@H]3[C@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 ZINC000299814256 JF Annotated Reactive COc1cccc(C(=O)c2cccc(C=c3nc(O)c(=Cc4nc[nH]c4C(C)(C)C)nc3O)c2)c1 ZINC000299814966 JF Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@H](Br)[C@]3(Br)CCN(C2)[C@@H]13 ZINC000299815103 JF Annotated Reactive COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@H](Br)[C@]3(Br)CCN(C2)[C@H]13 ZINC000299815105 JF Annotated Reactive COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@H](Br)[C@@]3(Br)CCN(C2)[C@@H]13 ZINC000299815107 JF Annotated Reactive Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4nc(N5CCOCC5)ccn34)C2(C)C)ccc1C#N ZINC000299815935 JF Annotated Mild CN=c1nc(NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 ZINC000299817952 JF Annotated Mild CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(Cl)cc(Cl)cc2c1=O ZINC000299819071 JF Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(Cl)cc(Cl)cc2c1=O ZINC000299819074 JF Annotated Bother CC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1F ZINC000299819138 JF Annotated Anodyne COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3C#N)C[C@]21C ZINC000299819362 JF Annotated Mild COC(=O)c1c(C(=O)OC)c2cc(N(C)C)ccn2c1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000299819412 JF Annotated Anodyne CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(Cl)cc(Cl)cc2c1=O ZINC000299819752 JF Annotated Bother CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(Cl)cc(Cl)cc2c1=O ZINC000299819756 JF Annotated Bother Cc1cc(=O)n(C[C@H](N)[C@@H]2CC[C@@H](NCc3ccc4c(n3)NC(=O)CO4)CC2)c2cc(F)ccc12 ZINC000299821660 JF Annotated Anodyne COc1ccc(CNC(=S)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1 ZINC000299822635 JF Annotated Anodyne O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCN(CCN4CCCC4)CC3)sc21 ZINC000299823840 JF Annotated Clean COc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000299824447 JF Annotated Bother CSc1nc2ncnc(NCC(P(=O)(O)O)P(=O)(O)O)c2cc1-c1ccccc1 ZINC000299825360 JF Annotated Anodyne COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@H]4[C@H]3C[C@@H](O)/C(C)=C/CC[C@@]3(C)O[C@H]43)CC2)cc1 ZINC000299825579 JF Annotated Clean CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2cc(C(F)(F)F)ccc2c1=O ZINC000299825620 JF Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2cc(C(F)(F)F)ccc2c1=O ZINC000299825625 JF Annotated Bother O=C(Cn1nc(Cc2cccs2)n(/N=C/c2cccs2)c1=O)N/N=C/c1cccs1 ZINC000299826972 JF Annotated Reactive COc1ccc2c(c1)cc([C@@H]1C(C#N)=C(N)N(c3cccnc3)C3=C1C(=O)CCC3)c1nnnn12 ZINC000299827502 JF Annotated Reactive COc1ccc2c(c1)cc([C@H]1C(C#N)=C(N)N(c3cccnc3)C3=C1C(=O)CCC3)c1nnnn12 ZINC000299827505 JF Annotated Reactive CC(=O)N1CCN(c2c(/C=N/Nc3nc4ccccc4nc3O)c(C)nn2-c2ccccc2)CC1 ZINC000299827530 JF Annotated Mild O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)Nc1ccc(Cl)s1 ZINC000299827651 JF Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@@H](CC(C)C)C(=O)O)C(=O)[C@@]12C ZINC000299828164 JF Annotated Mild O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3SC[C@@H]12)c1ccc(Cl)s1 ZINC000299828269 JF Annotated Anodyne O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)Nc1ccc(Cl)cc1 ZINC000299828923 JF Annotated Anodyne O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3SC[C@@H]12)c1ccc(Cl)cc1 ZINC000299828978 JF Annotated Anodyne CNCCNC(=O)[C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C(=O)[C@@H]1O2 ZINC000299829360 JF Annotated Anodyne CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)cn1 ZINC000299830604 JF Annotated Anodyne C=CCn1c(=O)c2c(nc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2CC=C)n(C)c1=O ZINC000299830844 JF Annotated Mild COc1cnc2ccc(=O)n(CCN3CCC(NC(=S)Nc4ccc(F)cc4)CC3)c2c1 ZINC000299831765 JF Annotated Anodyne CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(O)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000299831798 JF Annotated Clean CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(O)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000299831799 JF Annotated Clean COC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(C)ccc2n2nnnc12 ZINC000299831890 JF Annotated Mild COC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1cc2cc(C)ccc2n2nnnc12 ZINC000299831892 JF Annotated Mild COc1ccc(NC(=S)NC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1 ZINC000299832211 JF Annotated Anodyne O=c1ccc2ncc(F)cc2n1CCN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299832306 JF Annotated Bother CC[C@H](C)[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(C#N)n1 ZINC000299832672 JF Annotated Mild CS(=O)(=O)c1ccc([C@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)cc1 ZINC000299832719 JF Annotated Anodyne CS(=O)(=O)c1ccc([C@@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)cc1 ZINC000299832721 JF Annotated Anodyne NC[C@@H]1/C(=N\OCc2ccccc2)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F ZINC000299833011 JF Annotated Mild NC[C@H]1/C(=N\OCc2ccccc2)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F ZINC000299833016 JF Annotated Mild O=C1C(=O)N(C[C@@H](CO)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2ccc(F)cc21 ZINC000299833151 JF Annotated Anodyne O=C1C(=O)N(C[C@H](CO)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2ccc(F)cc21 ZINC000299833472 JF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CBr ZINC000299833592 JF Annotated Reactive COc1ccc(NC(=S)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1 ZINC000299833602 JF Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1 ZINC000299833768 JF Annotated Bother COc1cccc(-c2cc3c(NCC(P(=O)(O)O)P(=O)(O)O)ncnc3nc2SC)c1 ZINC000299834050 JF Annotated Anodyne CCOC(=O)N1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 ZINC000299834236 JF Annotated Clean CC(C)(C(=O)NCc1ccccc1)[C@H]1C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2NC1=O ZINC000299834267 JF Annotated Anodyne CC(C)(C(=O)NCc1ccccc1)[C@@H]1C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2NC1=O ZINC000299834268 JF Annotated Anodyne COC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(OC)ccc2n2nnnc12 ZINC000299834767 JF Annotated Mild COC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1cc2cc(OC)ccc2n2nnnc12 ZINC000299834773 JF Annotated Mild COC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2n2nnnc12 ZINC000299834936 JF Annotated Mild COC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2n2nnnc12 ZINC000299834939 JF Annotated Mild COC(=O)c1cc(Cn2cc(C(=O)O)c(=O)c3cc(I)ccc32)ccc1O ZINC000299835368 JF Annotated Anodyne CCN(CC)CCN1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 ZINC000299835522 JF Annotated Clean CSc1nc2ncnc(NCC(P(=O)(O)O)P(=O)(O)O)c2cc1-c1ccsc1 ZINC000299836063 JF Annotated Anodyne CS(=O)(=O)c1cncc(-c2ccc3ncc(-c4ccc(S(=O)(=O)C5CC5)cc4)n3n2)c1 ZINC000299836777 JF Annotated Anodyne COc1cnc(Cl)c2[nH]cc(C(=O)C(=O)N3C[C@@H]4CN(C(=O)c5ccccc5)C[C@@H]4C3)c12 ZINC000299837323 JF Annotated Anodyne COc1cnc(Cl)c2[nH]cc(C(=O)C(=O)N3C[C@@H]4CN(C(=O)c5ccccc5)C[C@H]4C3)c12 ZINC000299837326 JF Annotated Anodyne COc1cnc(Cl)c2[nH]cc(C(=O)C(=O)N3C[C@H]4CN(C(=O)c5ccccc5)C[C@@H]4C3)c12 ZINC000299837330 JF Annotated Anodyne O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1CCN(C(=O)OCc2cnc3ccccc3c2)C1 ZINC000299838325 JF Annotated Anodyne N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)C4CCCC4)CC3)s2)cc1F ZINC000299838615 JF Annotated Anodyne CC(=O)N(C)[C@H]1Cc2cn(c3ccccc23)C(=O)c2ccccc2NC(=O)[C@@H]2CCCN2C1=O ZINC000299838656 JF Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(OC[C@@H]4CNCCO4)c4cn[nH]c4n3)cc2)c1 ZINC000299839938 JF Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(OC[C@H]4CNCCO4)c4cn[nH]c4n3)cc2)c1 ZINC000299839939 JF Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@]34O[C@](O)(CC[C@]3(C)[C@H]1C2)OC4(C)C ZINC000299840729 JF Annotated Anodyne C[C@@H]1CN(c2nnc(C(F)(F)F)o2)CCN1c1ncc(OCc2ccc(C#N)cc2C#N)cn1 ZINC000299841020 JF Annotated Mild CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(=O)(=O)CCCN)cc4)n3n2)c1 ZINC000299841079 JF Annotated Anodyne C/C(=C\C=C\[C@H](O)[C@@H](C)O)[C@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](C)C[C@@H]2C=C[C@H](C)[C@](C)(C(=O)CCO)[C@@H]12 ZINC000299841331 JF Annotated Anodyne CS(=O)(=O)c1cncc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nn23)c1 ZINC000299841429 JF Annotated Anodyne C#CCOCCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCCOCC#C)[C@H]1c1ccc(O)cc1 ZINC000299845212 JF Annotated Mild CC(=O)O[C@@H]1[C@@H](n2c(O)c(/N=N/C(=N)S)c3ccccc32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000299845853 JF Annotated Clean CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2c(O)c(/N=N/C(=N)S)c3ccccc32)[C@@H]1OC(C)=O ZINC000299845854 JF Annotated Clean CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1c(O)c(/N=N/C(=N)S)c2ccccc21 ZINC000299845855 JF Annotated Clean O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(C(=O)[C@H]2C[C@H](O)C2)CC1 ZINC000299845923 JF Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCN(C(=O)[C@H]2C[C@H](O)C2)CC1 ZINC000299845924 JF Annotated Anodyne O=[N+]([O-])c1ccc([C@H]2N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CCC[C@H]2[C@@]32NNC(=S)N2)cc1 ZINC000299846719 JF Annotated Bother O=[N+]([O-])c1ccc([C@H]2N[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CCC[C@H]2C32NNC(=S)N2)cc1 ZINC000299846720 JF Annotated Bother CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1OC[C@@H](NC(=O)/C=C\[C@H](C)OC(N)=O)CO1 ZINC000299847117 JF Annotated Anodyne CNC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1CO[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1 ZINC000299847266 JF Annotated Anodyne CCN1CCC[C@@H]1CNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NC[C@H]2CCCN2CC)CC1 ZINC000299848684 JF Annotated Mild C[C@]1(C(=O)O)[C@H]2CC[C@@H](O2)[C@]1(C)C(=O)NCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000299849230 JF Annotated Anodyne C[C@]1(C(=O)O)[C@H]2CC[C@@H](O2)[C@]1(C)C(=O)NCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000299849232 JF Annotated Anodyne C[C@]1(C(=O)O)[C@H]2CC[C@@H](O2)[C@]1(C)C(=O)NCCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000299849234 JF Annotated Anodyne C[C@]1(C(=O)O)[C@H]2CC[C@@H](O2)[C@]1(C)C(=O)NCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000299849236 JF Annotated Anodyne COc1cc2c(cc1O)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000299851222 JF Annotated Clean C=C1[C@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCN4CCN(C)CC4)[C@@H]2CC[C@]1(O)C3 ZINC000299851722 JF Annotated Mild C=C1[C@@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCN4CCN(C)CC4)[C@@H]2CC[C@]1(O)C3 ZINC000299851723 JF Annotated Mild COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]23 ZINC000299851728 JF Annotated Bother COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]23 ZINC000299851758 JF Annotated Bother O=c1n(Cc2nc3cc(Cl)ccn3c2NCCN2CCOCC2)c2cnccc2n1C1CC1 ZINC000299852322 JF Annotated Anodyne CCS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 ZINC000299852501 JF Annotated Anodyne O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]23 ZINC000299852608 JF Annotated Bother O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NC/C=C/c3ccccn3)(CC1)CO2 ZINC000299852820 JF Annotated Anodyne CCNC(=O)[C@H]1C[C@@H](n2ccc3c(N[C@@H](CC)Cc4sccc4Cl)ncnc32)[C@H](O)[C@@H]1O ZINC000299852984 JF Annotated Anodyne CCNC(=O)[C@H]1C[C@H](n2ccc3c(N[C@H](CC)Cc4sccc4Cl)ncnc32)[C@H](O)[C@@H]1O ZINC000299852985 JF Annotated Anodyne CCNC(=O)[C@H]1C[C@H](n2ccc3c(N[C@@H](CC)Cc4sccc4Cl)ncnc32)[C@H](O)[C@@H]1O ZINC000299852986 JF Annotated Anodyne COc1ccc2ncc(F)c(CCN3CC[C@@H](NCc4cc5c(s4)CCCN5)[C@@H](O)C3)c2n1 ZINC000299853049 JF Annotated Anodyne COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(CN)s2)cc1OC ZINC000299853357 JF Annotated Clean COc1cc2c(cc1O)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN1CCOCC1)C2=O ZINC000299853366 JF Annotated Clean CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)C[C@H](O)[C@]34C)[C@]23O[C@H]13 ZINC000299853503 JF Annotated Anodyne COc1ccc2ncc(F)c(NC(=O)[C@@]3(O)CC[C@H](NCc4ccc5c(c4)OCCO5)CC3)c2n1 ZINC000299853606 JF Annotated Anodyne CC(=O)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1O ZINC000299854609 JF Annotated Anodyne C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2cc(Br)ccc2F)c1=O ZINC000299854678 JF Annotated Mild O=c1c(/C=N/Nc2nc(N3CCOCC3)c3ccsc3n2)coc2ccc([N+](=O)[O-])cc12 ZINC000299855306 JF Annotated Mild Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(NC(=O)CNC(=O)OCc2ccccc2)ccc1O ZINC000299855555 JF Annotated Bother COc1ccc2ncc(F)c(CCN3CC[C@@H](NCc4cc(C#N)c5c(c4)OCCO5)[C@@H](O)C3)c2c1 ZINC000299855590 JF Annotated Mild COc1cc(O)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)[C@H]1[C@H](C)[C@H]1C(=O)O ZINC000299855797 JF Annotated Anodyne COc1cc(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)cc(OC)c1OC ZINC000299857306 JF Annotated Mild C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2ccc(F)c(Br)c2)c1=O ZINC000299857668 JF Annotated Mild COc1cc(Nc2nc(Cc3ccccc3NS(C)(=O)=O)nc3nccn23)cc(OC)c1OC ZINC000299857814 JF Annotated Anodyne O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2ccccn2)C(NCc2ccncc2)=N1 ZINC000299858071 JF Annotated Anodyne O=[S@]1N=C(NCCCN(Cc2ccc(F)cc2)c2ccccn2)C(NCc2ccncc2)=N1 ZINC000299858073 JF Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)n2cc(/C=N/N=C/N(C)C)c3c([N+](=O)[O-])cccc32)c1 ZINC000299858075 JF Annotated Mild Cc1cnc(N2CCOCC2)c(Cn2cc(/C=N/NC(=O)c3ccc(C(F)(F)F)cc3)nn2)c1 ZINC000299860589 JF Annotated Reactive C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000299861092 JF Annotated Mild COC(=O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]23 ZINC000299861284 JF Annotated Bother COC(=O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]23 ZINC000299861984 JF Annotated Bother C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299862470 JF Annotated Mild Cc1ccc(S(=O)(=O)NCC(=O)N2Cc3ccccc3[C@@H](OCc3ccccc3)[C@@H]2CO)cc1 ZINC000299863062 JF Annotated Anodyne Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3NS(C)(=O)=O)nn2c(O)c1C ZINC000299863320 JF Annotated Anodyne CCc1nc2onc(-c3ccc([N+](=O)[O-])cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 ZINC000299863648 JF Annotated Bother C/C(=N\NC(=O)c1sc(N)c(C#N)c1N)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000299864089 JF Annotated Reactive C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1O ZINC000299864342 JF Annotated Mild CCc1nc2onc(-c3ccc(OC)c(OC)c3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 ZINC000299865306 JF Annotated Anodyne C[C@@H]1CN(c2ccc(C(N)=O)cc2)CCN1c1cccc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)n1 ZINC000299865377 JF Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(C[C@H](OC(C)=O)C(C)(C)O)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000299866082 JF Annotated Mild CC(C)C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](Cn3c(O)nc4cccc(Cl)c4c3=O)CC2)CC1 ZINC000299866456 JF Annotated Anodyne COc1cc(COCc2cn(Cc3cc(C)cnc3N3CCOCC3)nn2)cc(OC)c1OC ZINC000299866928 JF Annotated Anodyne Cc1nc2cc([C@@H]3CCCCN3C(=O)c3cccc(F)c3NS(C)(=O)=O)nn2c(O)c1C ZINC000299867060 JF Annotated Anodyne COC(=O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]23 ZINC000299868190 JF Annotated Bother C=C1[C@H]2C[C@@H]3[C@@H]4N(C(C)=O)C[C@]5(C)CCC[C@]46[C@H]([C@H]2OC(C)=O)[C@]3(CC(=O)[C@H]56)[C@@H]1OC(C)=O ZINC000299868514 JF Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N(C(C)=O)C[C@]5(C)CCC[C@]46[C@H]([C@H]2OC(C)=O)[C@]3(CC(=O)[C@H]56)[C@@H]1OC(C)=O ZINC000299868515 JF Annotated Mild Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3NS(C)(=O)=O)nn2c(O)c1C ZINC000299869042 JF Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)c1ccc(OC)c(OC)c1 ZINC000299869213 JF Annotated Mild O=C(O)c1ccc2occ(/C=N/Nc3nc(N4CCOCC4)c4ccsc4n3)c(=O)c2c1 ZINC000299869372 JF Annotated Mild O=c1c(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)coc2ccc([N+](=O)[O-])cc12 ZINC000299870402 JF Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc([C@H]5CN(C)C(=O)O5)nc4)cc3SC[C@@H]12 ZINC000299870610 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299873600 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299873601 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299873667 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299873668 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299873725 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299873726 JF Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1)[C@@H](O)c1ccccc1 ZINC000299873954 JF Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1)[C@H](O)c1ccccc1 ZINC000299873955 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299874025 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299874026 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000299874247 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000299874248 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000299874408 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000299874409 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299874477 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299874478 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000299874479 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299874480 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299874589 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299874590 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299874591 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)CC ZINC000299874592 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000299874649 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299874650 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299874651 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299874652 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000299874790 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299875126 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299875127 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299875128 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)[C@H](CC(C)C)C(=O)N2 ZINC000299875135 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)[C@@H](CC(C)C)C(=O)N2 ZINC000299875136 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299875141 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299875142 JF Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)c3cnccn3)C2)cc1 ZINC000299875209 JF Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)c3cnccn3)C2)cc1 ZINC000299875210 JF Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)c3cnccn3)C2)cc1 ZINC000299875211 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000299875362 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000299875363 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000299875364 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000299875365 JF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299875664 JF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299875665 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299875695 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299875696 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299875844 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299875845 JF Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O)C(=O)c1ccccc1 ZINC000299875848 JF Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O)C(=O)c1ccccc1 ZINC000299875849 JF Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O)C(=O)c1ccccc1 ZINC000299875850 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000299876149 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000299876150 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299876151 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299876152 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299876186 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299876187 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299876188 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299876189 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000299876302 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299876436 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299876437 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000299876697 JF Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299876820 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299877119 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000299877120 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000299877128 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299877129 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000299877130 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299877349 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299877350 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000299877403 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000299877404 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000299877689 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000299877690 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000299877807 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299877902 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299877903 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299878005 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299878006 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299878007 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299878008 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299878069 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299878070 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000299878453 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000299878454 JF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299878466 JF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299878467 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000299878562 JF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000299878572 JF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000299878573 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000299878610 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000299878611 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)C2=O ZINC000299878685 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)[C@@H](C(C)C)C(=O)N2 ZINC000299878754 JF Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299879043 JF Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299879044 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299879134 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299879135 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299879308 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299879309 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)CC ZINC000299879369 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299879370 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@@H](O)CC ZINC000299879371 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)CC ZINC000299879372 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299880190 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299880191 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299880378 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299880379 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299880380 JF Annotated Anodyne C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000299880675 JF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)Cc1ccccc1OC ZINC000299881009 JF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)Cc1ccccc1OC ZINC000299881010 JF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)Cc1ccccc1OC ZINC000299881011 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299881104 JF Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1)c1ccccc1 ZINC000299881252 JF Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1)c1ccccc1 ZINC000299881253 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299881412 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299881413 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000299881791 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000299881792 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000299882103 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000299882104 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000299882239 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000299882242 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000299882243 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000299882244 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299882311 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299882312 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299882313 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1OC ZINC000299882531 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299882942 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299882943 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299882944 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299882945 JF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299883282 JF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299883283 JF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299883284 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883311 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299883624 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299883625 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)[C@H](C(C)C)C(=O)N2 ZINC000299883643 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)[C@@H](C(C)C)C(=O)N2 ZINC000299883644 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299883670 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000299883671 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299884114 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299884115 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299884116 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299884164 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299884165 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299884166 JF Annotated Anodyne C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299884167 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299884504 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299884505 JF Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000299884569 JF Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000299884570 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299884599 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299884600 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)C2=O ZINC000299884674 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O)OCC ZINC000299884898 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O)OCC ZINC000299884899 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O)OCC ZINC000299884900 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299884905 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299884906 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299885083 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299885084 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000299885085 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000299885086 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CO)cc1OC ZINC000299885153 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CO)cc1OC ZINC000299885154 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CO)cc1OC ZINC000299885155 JF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299885194 JF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299885195 JF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299885690 JF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299885691 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000299885711 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000299886050 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000299886051 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299886568 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299886569 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000299886570 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000299886571 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299886660 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299886661 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299886709 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299886710 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000299886875 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 ZINC000299886876 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000299886877 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299887006 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299887007 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299887055 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299887056 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299887057 JF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299887106 JF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299887107 JF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299887305 JF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299887306 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299887368 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299887369 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299887585 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299887586 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299887988 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299887989 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299887997 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299887998 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000299888111 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000299888112 JF Annotated Anodyne CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1 ZINC000003017872 JF Annotated Anodyne O=S(=O)(c1ccc2[nH]c3nc(SCc4ccccc4F)nnc3c2c1)N1CCOCC1 ZINC000003021728 JF Annotated Anodyne NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1 ZINC000003052008 JF Annotated Anodyne CCCCN(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)S(C)(=O)=O ZINC000003179436 JF Annotated Anodyne CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Br)cc2Br)C1=O ZINC000003329476 JF Annotated Anodyne CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Br)cc2Br)C1=O ZINC000003329478 JF Annotated Anodyne CCCNC(=O)Cn1c(=O)/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C\C(=O)C(C)(C)C ZINC000003367236 JF Annotated Bother COc1cc(C(=O)NNC(=O)CCOc2cccc(Br)c2)cc(OC)c1OC ZINC000003383562 JF Annotated Reactive O=C1N(S(=O)(=O)c2ccccc2F)C(=O)C2(CCCC2)N1S(=O)(=O)c1ccccc1F ZINC000003426184 JF Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC(=O)[C@]2(O)CCl ZINC000031458931 JF Annotated Reactive CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](O)[C@]2(CO)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1 ZINC000031501655 JF Annotated Anodyne Cc1c(/N=N/c2ccc(Cl)cc2)c(C)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#N ZINC000031861105 JF Annotated Mild Cc1c(/N=N/c2ccc(Cl)cc2)c(C)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#N ZINC000031861107 JF Annotated Mild CC(=O)OC[C@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CC[C@@H](OC(C)=O)[C@@]21CO1 ZINC000031862335 JF Annotated Anodyne CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CC[C@@H](OC(C)=O)[C@@]21CO1 ZINC000031862338 JF Annotated Anodyne COC(=O)[C@H]1CCC(=O)N1C(c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000031897462 JF Annotated Anodyne COc1cc(C(c2cc(OC)c(OC)c(OC)c2)N2C(=O)CC[C@@H]2C(=O)O)cc(OC)c1OC ZINC000031897466 JF Annotated Anodyne C=C(C(=O)OC)[C@@H]1C[C@@H](OC(C)=O)C2=C[C@H](C[C@@]3(C)O[C@@H]3c3cc(C)c(o3)[C@H]1OC(C)=O)OC2=O ZINC000031901126 JF Annotated Mild O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000031904702 JF Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@@H](Br)[C@]3(Br)CCN(C2)[C@@H]13 ZINC000031904863 JF Annotated Reactive COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@@H](Br)[C@]3(Br)CCN(C2)[C@@H]13 ZINC000031904864 JF Annotated Reactive COc1cc2c(cc1OC)[C@H]1[C@@H]3N(CC[C@@]3(Br)[C@H](Br)[C@H](OC)[C@@H]1O)C2 ZINC000031904865 JF Annotated Reactive COc1cc2c(cc1OC)[C@H]1[C@@H]3N(CC[C@@]3(Br)[C@H](Br)[C@@H](OC)[C@@H]1O)C2 ZINC000031904866 JF Annotated Reactive CCOC(=O)n1cncc1C[C@H](NC(=O)Cc1c(C(=O)C=C(C)C)[nH]c2ccccc12)C(=O)OC ZINC000031904944 JF Annotated Mild CSc1nc2ccccc2c(=O)n1/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Cl)cc21 ZINC000031905229 JF Annotated Mild CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c(=O)c2ccccc2c(=O)c2c(=O)ccc(=O)c1=2 ZINC000031910198 JF Annotated Bother CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)CNC(=O)OC(C)(C)C)n2)n1 ZINC000032068026 JF Annotated Anodyne C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(-c3ncon3)ccc(F)c12 ZINC000032086791 JF Annotated Anodyne CC(C)(C)OC(=O)NCCc1nc(I)[nH]c1I ZINC000032288212 JF Annotated Anodyne COC(=O)c1ccccc1NC(=O)N1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000033037486 JF Annotated Anodyne O=C(Nc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000033121450 JF Annotated Anodyne CC1CCN(Cc2c(C(=O)N/N=C\c3ccc(C(C)(C)C)cc3)nnn2-c2nonc2N)CC1 ZINC000033351738 JF Annotated Reactive CN(C(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)C1CCCCC1 ZINC000033353656 JF Annotated Reactive CN(C(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)C1CCCCC1 ZINC000033353658 JF Annotated Reactive CCOc1ccc(-c2c(C(=O)N/N=C\c3cccc(Br)c3)nnn2-c2nonc2N)cc1 ZINC000033364433 JF Annotated Reactive CCOc1ccc(-c2c(C(=O)N/N=C\c3ccc(Cl)cc3)nnn2-c2nonc2N)cc1 ZINC000033369014 JF Annotated Reactive CCCCCOc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1 ZINC000033446041 JF Annotated Reactive Cc1c(/N=N/c2ccc(Cl)cc2)c(C)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=S)c1C#N ZINC000033493164 JF Annotated Clean NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc3c(=O)n(C4CCCC4)c(S)nc3c2)CC1 ZINC000033559463 JF Annotated Anodyne Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2)c1CSc1ccc(Cl)cc1 ZINC000033620756 JF Annotated Reactive CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000033650040 JF Annotated Mild C[C@H]1CCC[C@@H](C)N1CC/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000033740288 JF Annotated Mild C[C@H]1CCC[C@H](C)N1CC/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000033740289 JF Annotated Mild C[C@@H]1CCC[C@@H](C)N1CC/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000033740290 JF Annotated Mild COc1cccc(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1 ZINC000033820026 JF Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](O)[C@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000033830514 JF Annotated Mild in-vitro biogenic CC[C@@H](C)[C@H](NC)C(=O)N[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C ZINC000033831628 JF Annotated Anodyne in-man CC[C@H](C)[C@H](NC)C(=O)N[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C ZINC000033831629 JF Annotated Anodyne in-man CC[C@@H](C)[C@@H](NC)C(=O)N[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C ZINC000033831630 JF Annotated Anodyne in-man CC[C@H](C)[C@@H](NC)C(=O)N[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C ZINC000033831631 JF Annotated Anodyne in-man C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1C3 ZINC000033832332 JF Annotated Mild in-vitro biogenic OC/C=C/c1ccc2c(c1)O[C@@H](c1ccc3c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O3)[C@H](CO)O2 ZINC000033833120 JF Annotated Clean OC/C=C/c1ccc2c(c1)O[C@H](c1ccc3c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O3)[C@@H](CO)O2 ZINC000033833121 JF Annotated Clean in-vitro biogenic OC/C=C/c1ccc2c(c1)O[C@@H](c1ccc3c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O3)[C@@H](CO)O2 ZINC000033833122 JF Annotated Clean in-vitro biogenic CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000033833364 JF Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@]123)C4(C)C ZINC000033833938 JF Annotated Mild in-vitro biogenic CCOC(=O)C1CCN(c2ncnc(Oc3ccc(C(=O)CC(=O)OC)cc3)c2[N+](=O)[O-])CC1 ZINC000033904974 JF Annotated Bother CO[C@@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000033943441 JF Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C/[C@@H]1C ZINC000033943495 JF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C/[C@@H]1C ZINC000033943496 JF Annotated Anodyne C/C=C(\C)C(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CO ZINC000033955490 JF Annotated Anodyne in-vitro biogenic C[C@@]12[C@@H](OC(=O)c3ccccc3)C[C@](C)(O)[C@](C)(/C=C/C3=CC(=O)OC3)[C@H]1CC[C@@H](O)[C@]2(C)O ZINC000033956066 JF Annotated Anodyne O=C(O)[C@H]1O[C@@H](N(C(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000034065180 JF Annotated Anodyne O=C1[C@H]2[C@@H]3[C@H](CC[C@H]2C(=O)N1c1ccc(F)cc1F)/C(=N\OCc1ccccc1)C[C@@H](O)[C@H]3O ZINC000034148815 JF Annotated Mild O=C1[C@H]2[C@@H]3[C@H](CC[C@H]2C(=O)N1c1ccc(F)cc1F)/C(=N/OCc1ccccc1)C[C@@H](O)[C@H]3O ZINC000034148817 JF Annotated Mild CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C/[C@@H]1C ZINC000034148873 JF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C ZINC000034148875 JF Annotated Anodyne O=C1[C@H]2[C@H]3[C@H](O)[C@H](O)C/C(=N\OCc4ccccc4)[C@@H]3CC[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000034148966 JF Annotated Mild CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C/[C@@H]1C ZINC000034149334 JF Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C ZINC000034149336 JF Annotated Anodyne O=C(O)C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(CCO)n1)c1ccc2c(c1)OCO2 ZINC000034177055 JF Annotated Anodyne O=C(O)C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(CCO)n1)c1ccc2c(c1)OCO2 ZINC000034177056 JF Annotated Anodyne Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O ZINC000034208827 JF Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCN(c3cn[nH]c3-c3cc(Cl)c(O)cc3O)CC2)cc1 ZINC000034209146 JF Annotated Anodyne in-vivo O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(NC(=O)c2ccncc2)C1=O ZINC000034240500 JF Annotated Clean O=C1O[C@@H](CNC(=S)C(F)F)CN1c1cc(F)c([C@H]2C=CS(=O)(=O)CC2)c(F)c1 ZINC000034271599 JF Annotated Anodyne O=C1O[C@@H](CNC(=S)C(F)F)CN1c1cc(F)c([C@@H]2C=CS(=O)(=O)CC2)c(F)c1 ZINC000034271600 JF Annotated Anodyne CN(NC(=O)CC(=O)NN(C)C(=S)c1cc(F)ccc1F)C(=S)c1cc(F)ccc1F ZINC000034312016 JF Annotated Reactive CCNCCCCNCCCCNC/C=C(/CS)CNCCCCNCCCCNCC ZINC000034325344 JF Annotated Mild CC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccncc4)CC3)c(F)c2)C(=O)O1 ZINC000034379176 JF Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C[C@@H](O)O[C@H]4O3)[C@H]1CCC[C@]21CO1 ZINC000034445629 JF Annotated Anodyne Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@]12O)CC(C)(C)[C@@H]3O ZINC000034445678 JF Annotated Anodyne C[C@@H]1CCCCC[C@H](O)C(=O)[C@H](S[C@@H]2CC(=O)O[C@H](C)CCCCC[C@H](O)C2=O)CC(=O)O1 ZINC000034473824 JF Annotated Anodyne C[C@H]1CCCCC[C@@H](O)C(=O)[C@H](S[C@@H]2CC(=O)O[C@H](C)CCCCC[C@H](O)C2=O)CC(=O)O1 ZINC000034473828 JF Annotated Anodyne CC/C=C\C/C=C\C[C@@]1(O)C=C(Br)C(=O)/C1=C\[C@H](O)[C@H](O)CCCC(=O)OC ZINC000034579580 JF Annotated Mild COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(C)CC3)CC2)c(C)c1 ZINC000034587790 JF Annotated Anodyne COc1ccc2nccc(N3CC[C@H](SCCNCc4cc5c(cn4)OCCO5)C3)c2n1 ZINC000034597993 JF Annotated Anodyne COc1ccc2nccc(N3CC[C@@H](SCCNCc4cc5c(cn4)OCCO5)C3)c2n1 ZINC000034597994 JF Annotated Anodyne CCc1nn(CCOCC(F)(F)F)c2c(Nc3cccc(C)n3)nc(N3CCNCC3)nc12 ZINC000034631487 JF Annotated Anodyne CCN(CC)c1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C ZINC000034643244 JF Annotated Anodyne CN[C@H](C(=O)N[C@H](C(=O)N(C)CCCC(=O)O)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000034656421 JF Annotated Anodyne CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(C)=O)C2=C[C@H](OC(=O)CC(C)C)[C@](O)(COC(C)=O)[C@H]21 ZINC000034656817 JF Annotated Anodyne CC[C@@H](C)CC(=O)O[C@@H]1OC=C(COC(=O)[C@H](OC(C)=O)C(C)C)C2=C[C@H](OC(C)=O)[C@@]3(CO3)[C@H]21 ZINC000034773287 JF Annotated Anodyne in-vitro biogenic COc1ccc(/C=N\Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCN(C)CC3)n2)cc1OC ZINC000034795117 JF Annotated Mild Cc1ccn(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)[C@H](C)C4)c[nH]c23)n1 ZINC000034821161 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@]2(O)[C@@]3(C)CC[C@H]2[C@H]4C[C@@H](O)[C@@]3(O)CC=CC(=O)[C@]23C)C1 ZINC000034827145 JF Annotated Mild CCOC(=O)c1cc(C#N)c(N2CC(/C(O)=N/S(=O)(=O)Cc3ccccc3C)C2)nc1C ZINC000034845288 JF Annotated Mild CCOC(=O)c1cc(C#N)c(N2CC(/C(O)=N/S(=O)(=O)Cc3ccc(F)cc3)C2)nc1C ZINC000034845455 JF Annotated Mild COc1ccc2c(c1)N(CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)C(=O)CS2 ZINC000034846057 JF Annotated Anodyne CCOC(=O)c1cc(C#N)c(N2CC(/C(O)=N/S(=O)(=O)Cc3cccc(C)c3)C2)nc1C ZINC000034846300 JF Annotated Mild Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000034849339 JF Annotated Anodyne Cc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)N(C3CC3)C(=O)[C@H]24)c1 ZINC000034849340 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000034849351 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000034849352 JF Annotated Anodyne COc1ccccc1C/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N[C@@H]3CCCCN=C3O)cc2c1=O ZINC000034858003 JF Annotated Mild COc1ccccc1C/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N[C@H]3CCCCN=C3O)cc2c1=O ZINC000034858004 JF Annotated Mild CC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(-n4c(=O)[nH]c5ccsc5c4=O)cc3)CC2)cc1 ZINC000034858253 JF Annotated Anodyne CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)CCC4)cc1 ZINC000034858334 JF Annotated Anodyne COc1cc2c(=O)n(C[C@@H]3CCCO3)c(=O)n(C/C(O)=N/c3cccc(F)c3)c2cc1OC ZINC000034858422 JF Annotated Mild COc1cc2c(=O)n(C[C@H]3CCCO3)c(=O)n(C/C(O)=N/c3cccc(F)c3)c2cc1OC ZINC000034858423 JF Annotated Mild O=C1N=c2ccc(Br)cc2=C1N/N=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000034865153 JF Annotated Mild O=S(=O)(/N=C1\NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccccc1Cl ZINC000034875477 JF Annotated Mild CS(=O)(=O)N(CCO)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1 ZINC000034891561 JF Annotated Anodyne CCN1C(=O)C[C@]2(CCCN(C3CCN(C(=O)c4c(NC(N)=O)sc5ccccc45)CC3)C2)C1=O ZINC000034946606 JF Annotated Anodyne CCN1C(=O)C[C@@]2(CCCN(C3CCN(C(=O)c4c(NC(N)=O)sc5ccccc45)CC3)C2)C1=O ZINC000034946608 JF Annotated Anodyne COc1cc2c(cc1O[C@H]1OC[C@H]3[C@H](c4cc5c(cc4OC)OCO5)OC[C@]31OC(C)=O)OCO2 ZINC000034955845 JF Annotated Anodyne CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@]23O[C@H]13 ZINC000034996806 JF Annotated Anodyne O=C(Oc1ccccc1)Oc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 ZINC000003626348 JF Annotated Anodyne COc1cc([C@@H]2S[C@H](C)C(=O)N2[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc(OC)c1O ZINC000003639513 JF Annotated Bother CNc1nc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)no1 ZINC000003640122 JF Annotated Anodyne CN(C)c1nc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)no1 ZINC000003640123 JF Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000003645689 JF Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3Cl)[C@H]4C2=O)cc1OC ZINC000003645730 JF Annotated Anodyne Cc1n[nH]c(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1 ZINC000003648832 JF Annotated Anodyne Cc1nc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)no1 ZINC000003648837 JF Annotated Anodyne COc1nc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)no1 ZINC000003648931 JF Annotated Anodyne CC(C)C(=O)N1C(=O)C2(SCCS2)[C@@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000003649680 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N(C)C3CCCCC3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000003650352 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000003650354 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000003658520 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000003658580 JF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cccc(-c4ccc(C[n+]5ccccc5N)cc4)c3)C[C@H]12 ZINC000003800477 JF Annotated Anodyne CO[C@H]1CCC[C@H]2C1=C(C(=O)O[C@H](C)OC(=O)OC1CCCCC1)N1C(=O)[C@H]([C@@H](C)O)[C@@H]21 ZINC000003805578 JF Annotated Anodyne in-man COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](CCCCN1C(=O)c3ccccc3C1=O)=C2 ZINC000003813966 JF Annotated Anodyne C[N+]1=Cc2ccc(OCCCCN3C(=O)c4ccccc4C3=O)c3c2[C@@]2(C=C[C@H](O)C[C@@H]2O3)CC1 ZINC000003813974 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4cccs4)CC3)c(F)c2)C(=O)O1 ZINC000003818205 JF Annotated Anodyne O=C(O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1cnc2ccccc2c1 ZINC000003827886 JF Annotated Anodyne CN(C1CCCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1 ZINC000003831807 JF Annotated Anodyne COc1ccc2c(c1)-c1nn(CCN3CCCCC3)c3ccc4c(=O)n(CCN(C)C)c(=O)n-2c4c13 ZINC000003842728 JF Annotated Anodyne O=C1NC(=S)NC(=O)C1CNc1nnc(CN2c3ccccc3Sc3ccccc32)s1 ZINC000003916269 JF Annotated Anodyne CCOC(=O)OCn1c([S@](=O)Cc2nccc(OC)c2OC)nc2cc(C(=O)OC)c(C)cc21 ZINC000003923573 JF Annotated Anodyne C/C(=C\c1ncc(-c2ccc([N+](=O)[O-])o2)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000003932603 JF Annotated Bother COc1cc(O)c2c(c1C)C(=O)OCCCCC(=S)N[C@H](c1nc(CN)no1)CSC2 ZINC000003942966 JF Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)O[C@H](CO)C/C(S)=N/[C@H](c1nc(C)no1)CSC2 ZINC000003948736 JF Annotated Anodyne COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1C[C@@H](NC(=O)OC(C)C)C(=O)O ZINC000003950605 JF Annotated Anodyne O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NCc1ccco1 ZINC000003958117 JF Annotated Anodyne C=CCn1cc(C(=O)NC[C@@H]2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000003958966 JF Annotated Mild C=CCn1cc(C(=O)NC[C@H]2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000003958970 JF Annotated Mild COc1ccc([C@H](CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCC4)n(C)n2)cn1 ZINC000003962007 JF Annotated Anodyne O=C(O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1cccc(F)c1 ZINC000003965079 JF Annotated Anodyne O=C(O)CNC(=O)c1ccc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000003981602 JF Annotated Reactive CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 ZINC000003986526 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)COCc4ccccc4)CC3)c(F)c2)C(=O)O1 ZINC000003993551 JF Annotated Anodyne CS(=O)(=O)c1cccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3ncsc32)c1 ZINC000035010334 JF Annotated Anodyne C[S@@](=O)c1cccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3ncsc32)c1 ZINC000035010336 JF Annotated Anodyne C[S@](=O)c1cccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3ncsc32)c1 ZINC000035010338 JF Annotated Anodyne CS(=O)(=O)Nn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 ZINC000035030626 JF Annotated Bother COC(=O)c1cc(NC(=O)CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)cn1C ZINC000035033694 JF Annotated Anodyne COc1cc2c3c(n(CCCn4cncn4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064625 JF Annotated Clean COc1cc2c3c(n(CCCN4CCC[C@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064636 JF Annotated Clean COc1cc2c3c(n(CCCN4CCC[C@@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064639 JF Annotated Clean COc1cc2c3c(n(CCCN4CCN(C)CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064642 JF Annotated Clean COc1cc2c3c(n(CCCN4CCC(N)CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064645 JF Annotated Clean COc1cc2c3c(n(CCCN4CCCNCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064648 JF Annotated Clean CON(CCCC/C=C\CCCCCCCCc1cccnc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035066434 JF Annotated Anodyne O=C(O)CN1C(=O)[C@@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc21 ZINC000035070087 JF Annotated Anodyne O=C(O)CN1C(=O)[C@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc21 ZINC000035070089 JF Annotated Anodyne O=C(OCc1ccc2ccccc2n1)[C@@H]1CCCN1C(=O)NC[C@@H]1CC(Br)=NO1 ZINC000035075475 JF Annotated Anodyne O=C(OCc1ccc2ccccc2n1)[C@@H]1CCCN1C(=O)NC[C@H]1CC(Br)=NO1 ZINC000035075476 JF Annotated Anodyne CS[C@H]1C(=O)N2[C@H]3Nc4ccccc4[C@@]3(c3c[nH]c4ccccc34)[C@H](O)[C@]2(SC)C(=O)N1C ZINC000035086400 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000035213425 JF Annotated Anodyne CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000035213427 JF Annotated Anodyne CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](O)[C@]2(O)COC(=O)CC(C)C ZINC000035271601 JF Annotated Anodyne CN(C)CCNc1ccc(NCCN2CCC[C@@H]2CCl)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000035304186 JF Annotated Reactive CN(C)CCNc1ccc(NCCN2CCC[C@H]2CCl)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000035304191 JF Annotated Reactive COC(=O)CCc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccccc32)cc1 ZINC000035323450 JF Annotated Mild O=C1C=CC(O)(c2cc3ccc(F)cc3n2S(=O)(=O)c2ccc(CCC(=O)O)cc2)C=C1 ZINC000035323454 JF Annotated Mild CC1(C)C=Cc2c(ccc3c2N(O)C(=O)[C@@]32C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 ZINC000035331571 JF Annotated Anodyne CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccccn3)nc(N3CCNCC3)nc12 ZINC000035801629 JF Annotated Anodyne CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1ccc(C)nc1 ZINC000035850261 JF Annotated Anodyne C/N=C(\S)N(C)CCNc1c2ccccc2nc2c(C(=O)NCCOC(C)=O)cccc12 ZINC000035851255 JF Annotated Mild CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1cnc(C)cc1C ZINC000035922055 JF Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CC(=O)OC)cn1 ZINC000035934708 JF Annotated Anodyne CNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(c3nccc4ccccc34)C[C@H]2C)cn1 ZINC000035935237 JF Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1 ZINC000035952851 JF Annotated Anodyne CN1CCN(CCCNc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(N)=O)ccc34)n2)CC1 ZINC000035953072 JF Annotated Anodyne CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 ZINC000035953254 JF Annotated Anodyne CCNC(=O)NCCNC(=O)c1cccc2c(NCCN(C)/C(S)=N/C)c3ccccc3nc12 ZINC000035975440 JF Annotated Mild COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066355 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066368 JF Annotated Anodyne COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066369 JF Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c21 ZINC000036067284 JF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000036067285 JF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000036067286 JF Annotated Anodyne CN(C)S(=O)(=O)c1c(F)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O ZINC000036143848 JF Annotated Mild Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc1CC2 ZINC000036146007 JF Annotated Anodyne Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc1CC2 ZINC000036146012 JF Annotated Anodyne CSc1ccc(/C=C2\N=CN(NS(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)C2=O)cc1 ZINC000036151596 JF Annotated Anodyne O=S1(=O)NC[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2N1 ZINC000036175621 JF Annotated Anodyne OC(c1ccc(N(C[C@@H]2CCOC2)C(=S)N2CCOCC2)cn1)(C(F)(F)F)C(F)(F)F ZINC000036184797 JF Annotated Anodyne OC(c1ccc(N(C[C@H]2CCOC2)C(=S)N2CCOCC2)cn1)(C(F)(F)F)C(F)(F)F ZINC000036184798 JF Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@@H]([C@H]4CC[C@@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000036187772 JF Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@H]([C@H]4CC[C@H]34)[C@@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 ZINC000036187773 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@H](c1cccc(F)c1)N(C)[C@@H]2c1cccc(F)c1 ZINC000036221438 JF Annotated Anodyne COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@H](c1cccc(C)c1)N(C)[C@H]2c1cccc(C)c1 ZINC000036221442 JF Annotated Anodyne CC(=O)O[C@@H]1CO[C@H](n2c(O)c(/N=N/C(=N)S)c3ccccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000036239904 JF Annotated Clean CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(-n2cncn2)cc1 ZINC000036286250 JF Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(-n2cncn2)cc1 ZINC000036286255 JF Annotated Anodyne COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCN)n4)c3n2)cc(OC)c1OC ZINC000036348718 JF Annotated Anodyne CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCCO)C4)C3)cc2)cc1 ZINC000036351787 JF Annotated Anodyne [N-]=[N+]=NCc1ccccc1C[C@]1(C(=O)N2CCOCC2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375506 JF Annotated Clean C=CC[C@@]1(C(=O)NCCN2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375984 JF Annotated Mild CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3ccc(O)cc3)N2C1=O ZINC000036376825 JF Annotated Anodyne C[C@@H]1C[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1c5ccc2c1C(=O)CC(C)(C)O2 ZINC000036378654 JF Annotated Anodyne C[C@H]1C[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1c5ccc2c1C(=O)CC(C)(C)O2 ZINC000036378655 JF Annotated Anodyne C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1c5ccc2c1C(=O)CC(C)(C)O2 ZINC000036378656 JF Annotated Anodyne C[C@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1c5ccc2c1C(=O)CC(C)(C)O2 ZINC000036378657 JF Annotated Anodyne O=C(CC(Cl)(Cl)Cl)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000036380537 JF Annotated Clean COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(Cc2ccc(OC)cc2)C3=N1 ZINC000036381562 JF Annotated Anodyne C=CCN1c2ccccc2[C@]23CCC(=O)N(CCCOC(C)C)C2=NC(C(=O)OC)=C(C(=O)OC)[C@H]13 ZINC000036381565 JF Annotated Mild C=CCN1c2ccccc2[C@]23CCC(=O)N(Cc4ccco4)C2=NC(C(=O)OC)=C(C(=O)OC)[C@H]13 ZINC000036381568 JF Annotated Mild CC#CCN1c2ccccc2[C@]23CCC(=O)N(Cc4ccco4)C2=NC(C(=O)OC)=C(C(=O)OC)[C@H]13 ZINC000036381577 JF Annotated Mild O=C(O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]12O3)c1ccccc1Br ZINC000036383170 JF Annotated Anodyne NC(=O)CCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc([N+](=O)[O-])cc2[n+]1[O-] ZINC000036383486 JF Annotated Bother Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccc5c(c4)OCO5)n(CC(C)C)c3nc12 ZINC000036383893 JF Annotated Anodyne CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036384101 JF Annotated Anodyne O=C(NCc1ccccc1)c1onc(CS(=O)(=O)c2ccccn2)c1C(=O)NCc1ccccc1 ZINC000036384160 JF Annotated Anodyne N#Cc1cccnc1N1CCN(C(=O)c2cccc3c2C(=O)c2ccc(Cl)cc2S3(=O)=O)CC1 ZINC000036384296 JF Annotated Mild COc1cccc(N2C[C@H](C(=O)Nc3nnc(SCC(=O)NCc4ccco4)s3)CC2=O)c1 ZINC000036385512 JF Annotated Anodyne COc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)NCc4ccco4)s3)CC2=O)c1 ZINC000036385514 JF Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccc(OC)cc3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386471 JF Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccc(C(C)=O)cc3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386502 JF Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccc(F)cc3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386508 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]12C ZINC000036387211 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3ccc(F)cc3NC(=O)[C@@]12C ZINC000036387214 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3cc(F)ccc3NC(=O)[C@@]12C ZINC000036387215 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3cc(OC)ccc3NC(=O)[C@@]12C ZINC000036387216 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]12C ZINC000036387218 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)c3ccc(F)cc3NC(=O)[C@@]12C ZINC000036387223 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)c3cc(OC)ccc3NC(=O)[C@@]12C ZINC000036387224 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]12C ZINC000036387226 JF Annotated Anodyne O=C(O[C@@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@@]21O3)c1ccccc1Br ZINC000036388009 JF Annotated Anodyne CCOc1ccc(C(=O)O[C@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@]23O4)cc1 ZINC000036388023 JF Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036388511 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]12C ZINC000036388999 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@@]12C ZINC000036389000 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)CN(Cc3ccccc3)C(=O)[C@@]12C ZINC000036389001 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]12C ZINC000036389006 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@@]12C ZINC000036389007 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@@]12C ZINC000036389009 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)CN(Cc3ccccc3)C(=O)[C@@]12C ZINC000036389010 JF Annotated Anodyne CCCCN1CC(=O)N2[C@H]3c4cc(Br)ccc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O ZINC000036389017 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@@]12C ZINC000036389024 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)CN(Cc3ccco3)C(=O)[C@@]12C ZINC000036389037 JF Annotated Anodyne C=C[C@@](C)(O)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO ZINC000036410709 JF Annotated Mild in-vitro biogenic C=C[C@](C)(O)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO ZINC000036410710 JF Annotated Mild in-vitro biogenic C=C(C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO)[C@@H](C)O ZINC000036410711 JF Annotated Mild C=C(C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO)[C@H](C)O ZINC000036410712 JF Annotated Mild in-vitro biogenic C=C(C=O)[C@H]1C[C@H](OC(C)=O)C2=C[C@@H](C[C@]3(C)O[C@H]3c3cc(C)c(o3)[C@@H]1OC(C)=O)OC2=O ZINC000036412406 JF Annotated Reactive COC(=O)C1=Cc2cc(OC)c(O)c(OC)c2[C@H](c2cc(OC)c(O)c(OC)c2)[C@H]1C(=O)OC ZINC000036413364 JF Annotated Anodyne CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(C)=O)C2=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]3(CO3)[C@H]21 ZINC000036419173 JF Annotated Anodyne in-vitro biogenic O=C1CCNC(=O)CCc2ccc(c([N+](=O)[O-])c2)Oc2cc(cc(Br)c2O)CCN1 ZINC000036473346 JF Annotated Bother Cn1c2ccccc2c(=Nc2ccc(NS(=O)(=O)CCNC(=O)CCN)cc2)c2ccccc21 ZINC000377481164 JF Annotated Bother C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+](=O)c(C(=O)OCC)c(-c1ccccc1)n2O ZINC000377829921 JF Annotated Mild CCOC(=O)Cn1nc2ccc(Nc3c(C)n(O)c4cc(F)c(OCC)cc4[n+]3=O)cc2n1 ZINC000377840340 JF Annotated Anodyne CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(=NC(=O)NCCC[N+](C)(C)C)n3C)cc1 ZINC000377844260 JF Annotated Clean COc1ccc(CC2=NC(=O)[C@@H]3[C@H](C)N=C([C@H](CCc4ccccc4)[C@@H](C)O)N3N2)cc1OC ZINC000377844967 JF Annotated Anodyne COc1ccc(CC2=NC(=O)[C@@H]3[C@H](C)N=C([C@@H](CCc4ccccc4)[C@H](C)O)N3N2)cc1OC ZINC000377844968 JF Annotated Anodyne CCN(CC)[N+](=O)NOCOC(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000377845196 JF Annotated Anodyne CCOC(=O)Cn1nnc2cc(Nc3c(C)n(O)c4cc(F)c(OCC)cc4[n+]3=O)ccc21 ZINC000377846056 JF Annotated Anodyne Cc1cc(=N)c2cc(N=c3nc(N(C)C)[nH]c(=Nc4ccc5c(c4)c(=N)cc(C)n5C)[nH]3)ccc2n1C ZINC000377853409 JF Annotated Anodyne CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)OCc1cccc2cccnc12 ZINC000038143034 JF Annotated Anodyne CN(C)S(=O)(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1 ZINC000038147694 JF Annotated Anodyne CC(C)=CCC/C(C)=C/CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000038149207 JF Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000038150120 JF Annotated Mild ClCCN1CCCN(CCCl)CCN(CCCl)CCCN(CCCl)CC1 ZINC000038153041 JF Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(I)c1OC ZINC000038153954 JF Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(I)c1OC ZINC000038153955 JF Annotated Reactive CCNC(=O)[C@H]1C[C@@H](n2cnc3c(N[C@H](CC)Cc4sccc4Cl)ccnc32)[C@H](O)[C@@H]1O ZINC000038192551 JF Annotated Anodyne CCCCOc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1 ZINC000038202569 JF Annotated Reactive COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2C[C@@H]2C)n1 ZINC000038211382 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cnc(C)cc1C ZINC000038217237 JF Annotated Anodyne CCOC(=O)/C(C#N)=C(/NNC(=O)c1cc(OC)c(OC)c(OC)c1)N[C@@H](C)c1ccccc1 ZINC000038226989 JF Annotated Reactive CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000038233421 JF Annotated Mild CCOC(=O)c1cnc(N2CCN(/C(O)=N/S(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1 ZINC000038245635 JF Annotated Mild CC[C@@H](C)CC(=O)O[C@@H]1OC=C(COC(=O)[C@H](OC(C)=O)C(C)C)C2=C[C@H](OC(C)=O)[C@]3(CO3)[C@H]21 ZINC000038250617 JF Annotated Anodyne in-vitro biogenic CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(=O)[C@H](OC(C)=O)C(C)C)C2=C[C@H](OC(C)=O)[C@]3(CO3)[C@H]21 ZINC000038250618 JF Annotated Anodyne COc1cc(C(=O)O[C@H](C)[C@H]2C(=O)N/C2=C\C(=O)OCc2ccccc2)cc(OC)c1OC ZINC000038254873 JF Annotated Anodyne Cc1oc2nc1C(=O)N[C@@H](C)c1nc(cs1)C(=O)N[C@@H](C)c1nc(cs1)C(=O)N[C@H]2C ZINC000038335736 JF Annotated Anodyne in-vitro O=C1NCCCC[C@H]1N(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000038360262 JF Annotated Anodyne Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(C)(C)O)c(C)c1 ZINC000038402836 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccsc4)CC3)c(F)c2)C(=O)O1 ZINC000038413354 JF Annotated Anodyne N#Cc1ccc2cccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@@H](O)C3)c2n1 ZINC000038429926 JF Annotated Mild CC[C@H](C)[C@H](OCc1ccccc1)[C@@H]1[C@@H](C(=O)NCC(=O)O)N[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000038430341 JF Annotated Bother CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C ZINC000038431893 JF Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](Cc4occc4[C@]3(C)O)[C@@]12C ZINC000038516072 JF Annotated Anodyne in-vitro biogenic Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@@H]3O ZINC000038562749 JF Annotated Reactive C[C@H](CO)Nc1cc(NS(=O)(=O)c2cn(C)cn2)nc(SCc2cccc(Cl)c2F)n1 ZINC000038577177 JF Annotated Anodyne O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@@]1(C=CN2)C=C(Br)[C@@H](O)[C@@H](Br)C1 ZINC000038659379 JF Annotated Reactive C[C@@H](SCCO)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2SCCO ZINC000038659879 JF Annotated Clean COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(CO)[C@]23O)CC(C)(C)[C@@H]4O)c(C)c1Cl ZINC000038735215 JF Annotated Anodyne COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1 ZINC000038842489 JF Annotated Anodyne C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(Cl)c2F)n1 ZINC000038941799 JF Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000038944582 JF Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000038944584 JF Annotated Anodyne CC1=C(CO)C(=O)O[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000039014986 JF Annotated Anodyne in-vitro biogenic CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000039014987 JF Annotated Mild COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@@H](c1ccccc1F)N(C)[C@H]2c1ccccc1F ZINC000039016689 JF Annotated Anodyne C=C1C[C@H](OC(=O)CC(C)C)[C@@H](C(C)(C)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C[C@]2(C)CCC[C@@H]12 ZINC000039067287 JF Annotated Mild N#Cc1c2c(c(-c3cccs3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1=S)CCc1ccccc1-2 ZINC000039109581 JF Annotated Mild C=C[C@@](C)(O)CC[C@@H](O)[C@](C)(O)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000039166149 JF Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C3=C[C@H](O)OC3=O)C[C@H]3O[C@]321 ZINC000039182648 JF Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C3=C[C@@H](O)OC3=O)C[C@H]3O[C@]321 ZINC000039182649 JF Annotated Anodyne CC1(C)C(=O)[C@@H]2C[C@@]34O[C@]2(O)[C@]2(COC(=O)C[C@@H]12)[C@H]3CC[C@@]1(C)[C@H](c2ccoc2)OC(=O)C[C@@H]41 ZINC000039183182 JF Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@]23O)[C@@]2(C)CC[C@H](O)C=C12 ZINC000039205937 JF Annotated Anodyne in-vitro CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OCC)ccc3OCC)ccc21 ZINC000004001689 JF Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)c2ccc(C/N=c3/c(N4CCOCC4)c(O)c3=O)cc2)c1 ZINC000004004900 JF Annotated Anodyne NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)CC1 ZINC000004019740 JF Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000004035220 JF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1C ZINC000004035597 JF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC[C@@H]2COc3ccccc3O2)C[C@@H]1C ZINC000004035598 JF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC[C@H]2COc3ccccc3O2)C[C@H]1C ZINC000004035599 JF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC[C@H]2COc3ccccc3O2)C[C@@H]1C ZINC000004035600 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1OC ZINC000004038837 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1OC ZINC000004038841 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1OC ZINC000004038847 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1OC ZINC000004038849 JF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004038888 JF Annotated Bother C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004038889 JF Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004038903 JF Annotated Bother C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004038907 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004038910 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004038912 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004038917 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004038926 JF Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004039027 JF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004039030 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004039034 JF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004039036 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004039108 JF Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004039110 JF Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004039113 JF Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004039117 JF Annotated Bother CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004039151 JF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004039155 JF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004039240 JF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004039243 JF Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004039476 JF Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004039482 JF Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004039494 JF Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004039499 JF Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039598 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039601 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039605 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039610 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCO)cc1 ZINC000004039735 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCO)cc1 ZINC000004039737 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCO)cc1 ZINC000004039740 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCO)cc1 ZINC000004039742 JF Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)cc1OC ZINC000004039807 JF Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)cc1OC ZINC000004039808 JF Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)cc1OC ZINC000004039809 JF Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)cc1OC ZINC000004039811 JF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN2CCOCC2)c1 ZINC000004040888 JF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCN2CCOCC2)c1 ZINC000004040892 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041219 JF Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041228 JF Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041235 JF Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041239 JF Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCO ZINC000004041265 JF Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCO ZINC000004041268 JF Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCO ZINC000004041272 JF Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCO ZINC000004041273 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004041845 JF Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004041846 JF Annotated Mild COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004041847 JF Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004041850 JF Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041868 JF Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041871 JF Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041872 JF Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041874 JF Annotated Mild COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004041876 JF Annotated Mild COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004041877 JF Annotated Mild COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004041879 JF Annotated Mild COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004041880 JF Annotated Mild COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004041968 JF Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004041972 JF Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004041977 JF Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004041983 JF Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004041985 JF Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004041987 JF Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004041990 JF Annotated Bother COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004041992 JF Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042088 JF Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042090 JF Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042093 JF Annotated Bother CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004044774 JF Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004044776 JF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004044778 JF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004044802 JF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004044804 JF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004044808 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000004044916 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000004044917 JF Annotated Anodyne COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000004044928 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000004044930 JF Annotated Bother CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004045460 JF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004045462 JF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004045464 JF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004045465 JF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004045466 JF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004045467 JF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004045468 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045632 JF Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045636 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004049018 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004049019 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004049020 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000004049021 JF Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049134 JF Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049135 JF Annotated Bother CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049136 JF Annotated Bother CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049137 JF Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049158 JF Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049159 JF Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049160 JF Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049161 JF Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1OC ZINC000004049182 JF Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1OC ZINC000004049183 JF Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1OC ZINC000004049184 JF Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1OC ZINC000004049185 JF Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004049377 JF Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004049378 JF Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049403 JF Annotated Bother O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049404 JF Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004049451 JF Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004049452 JF Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004049453 JF Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004049454 JF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049693 JF Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049694 JF Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049695 JF Annotated Bother O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049696 JF Annotated Bother O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049821 JF Annotated Bother O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049823 JF Annotated Bother O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049829 JF Annotated Bother O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049833 JF Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004050857 JF Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004050860 JF Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004050862 JF Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004050864 JF Annotated Bother COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1OC ZINC000004051175 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1OC ZINC000004051176 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1OC ZINC000004051178 JF Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000004051971 JF Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000004051975 JF Annotated Bother COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1OC ZINC000004053219 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1OC ZINC000004053221 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1OC ZINC000004053223 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1OC ZINC000004053224 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054655 JF Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054656 JF Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054658 JF Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054662 JF Annotated Bother COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004054884 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004054885 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004054886 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004054887 JF Annotated Anodyne O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000004056092 JF Annotated Bother O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000004056093 JF Annotated Bother Cc1nnc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000004057090 JF Annotated Anodyne Cc1ccc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000004057098 JF Annotated Anodyne Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Br)s3)C[C@@H]2C)cc1 ZINC000004057109 JF Annotated Anodyne Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Br)s3)C[C@H]2C)cc1 ZINC000004057110 JF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NC[C@@H]1COc3ccccc3O1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004057348 JF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1COc3ccccc3O1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004057350 JF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1COc3ccccc3O1)[C@H](c1cccnc1)N(C)C2=O ZINC000004057351 JF Annotated Anodyne C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000004057870 JF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004077356 JF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004077373 JF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004077377 JF Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@H]3COc4ccccc4O3)c21 ZINC000004077813 JF Annotated Anodyne aggregator O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@@H]3COc4ccccc4O3)c21 ZINC000004077814 JF Annotated Anodyne aggregator COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000004080619 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000004080621 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004080628 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004080630 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004080631 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000004080633 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000004080731 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1 ZINC000004080733 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1 ZINC000004080735 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC000004080953 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC000004080956 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC000004080958 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC000004080960 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2=O)c(OC)c1 ZINC000004081094 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN2CCCC2=O)c(OC)c1 ZINC000004081098 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2=O)c(OC)c1 ZINC000004081102 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN2CCCC2=O)c(OC)c1 ZINC000004081104 JF Annotated Anodyne CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccncc1 ZINC000004083231 JF Annotated Anodyne CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccncc1 ZINC000004083232 JF Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CC[C@@H](OC(C)=O)[C@]21CO1 ZINC000004097880 JF Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O[C@@H]1OC[C@@H]3[C@@H](c4cc5c(cc4OC)OCO5)OC[C@]13OC(C)=O)OCO2 ZINC000004098848 JF Annotated Anodyne in-vitro Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncnc(N3CCN(c4ccccn4)CC3)c12 ZINC000004101284 JF Annotated Anodyne CCOc1ccccc1NC(=O)Cn1c(=O)n(CCC(=O)NC2CCCC2)c(=O)c2ccccc21 ZINC000004101415 JF Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004101737 JF Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004101738 JF Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000004101739 JF Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000004101740 JF Annotated Anodyne CCCCNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O ZINC000004103881 JF Annotated Anodyne Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000004110980 JF Annotated Anodyne CC(=O)NCC(=O)N(c1c(C)n(C)n(-c2ccccc2)c1=O)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000004111238 JF Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000004128005 JF Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 ZINC000004128007 JF Annotated Anodyne Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)C[C@H]2NC(=O)NC2=O)CCCC1 ZINC000004128226 JF Annotated Anodyne Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)NC2=O)CCCC1 ZINC000004128232 JF Annotated Anodyne CCc1cc2c(cc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)nc(CC)n32)s1 ZINC000004143379 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)n2N)c1 ZINC000004144464 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000004148069 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000004148077 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151902 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151904 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151905 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004151906 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004151950 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)CC ZINC000004151951 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004151952 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@@H](O)CC ZINC000004151953 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)CC ZINC000004151954 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004151955 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOCCO ZINC000004152555 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOCCO ZINC000004152557 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOCCO ZINC000004152558 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOCCO ZINC000004152559 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCC#N ZINC000004152828 JF Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCC#N ZINC000004152830 JF Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCC#N ZINC000004152831 JF Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCC#N ZINC000004152833 JF Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCOC ZINC000004152901 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCOC ZINC000004152903 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCOC ZINC000004152905 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCOC ZINC000004152907 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CCOCC1 ZINC000004153778 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CCOCC1 ZINC000004153779 JF Annotated Bother CCOc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000004165424 JF Annotated Anodyne Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccccc4Cl)cc3n(CC(N)=O)c2=O)cc1 ZINC000004176257 JF Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004201963 JF Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004201964 JF Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004201965 JF Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004201966 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204610 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204612 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204613 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205403 JF Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205407 JF Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205410 JF Annotated Bother COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004205738 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004205740 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004205742 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCOCCO)c(OC)c1OC ZINC000004205746 JF Annotated Anodyne O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000004208269 JF Annotated Bother O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000004208270 JF Annotated Bother CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)C[S@](=O)C2 ZINC000004211049 JF Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212484 JF Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004212488 JF Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212493 JF Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCN1CCOCC1 ZINC000004212498 JF Annotated Bother CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCOCCO ZINC000004212697 JF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCOCCO ZINC000004212701 JF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCOCCO ZINC000004212703 JF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCOCCO ZINC000004212705 JF Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCOCCO ZINC000004212744 JF Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCOCCO ZINC000004212746 JF Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCOCCO ZINC000004212751 JF Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCOCCO ZINC000004212752 JF Annotated Bother COc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238500 JF Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N4CCNCC4)nc32)c1 ZINC000004238724 JF Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1 ZINC000004238726 JF Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cccc(C#N)c3)nc3cnc(N4CCOCC4)nc32)c1 ZINC000004238875 JF Annotated Mild COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(N4CCOCC4)nc32)c1 ZINC000004238891 JF Annotated Anodyne COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N4CCN(C)CC4)nc32)cc1 ZINC000004238916 JF Annotated Anodyne CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(Cc4cccs4)c3n2)CC1 ZINC000004238941 JF Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N4CCN(C)CC4)nc32)c1 ZINC000004239127 JF Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(N4CCNCC4)nc32)c1 ZINC000004239141 JF Annotated Anodyne COc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000004239143 JF Annotated Anodyne c1cc(CN2CCCC2)cc(-c2nnnn2[C@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@H]23)c1 ZINC000004259675 JF Annotated Anodyne O=C(CCCNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000004295519 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004296648 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004296649 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004296650 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004296798 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004296799 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004296800 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004296801 JF Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCOCCO)cc1 ZINC000004320550 JF Annotated Bother O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2)NCc1ccco1 ZINC000004355661 JF Annotated Anodyne CCCN(CCC)Cc1c(C(=O)NN=C/C(C)=C\c2ccccc2)nnn1-c1nonc1N ZINC000004456387 JF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2/N=C\c2ccc(C(=O)OC)cc2)c1 ZINC000004489051 JF Annotated Mild COCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(CC[C@@]3(C)NC(=O)NC3=O)cc2)c1C ZINC000040017329 JF Annotated Reactive COCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(CC[C@]3(C)NC(=O)NC3=O)cc2)c1C ZINC000040017330 JF Annotated Reactive Cc1cc2c(cc1S(=O)(=O)Oc1ccc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)cc1)OCO2 ZINC000040379613 JF Annotated Reactive Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccsc2)c1 ZINC000040380345 JF Annotated Mild Cc1nnc2n1-c1ccc(NC(=O)CN3CCN(C(=O)c4cccc(Cl)c4)CC3)cc1CC2 ZINC000040380472 JF Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)NCc1ccccc1 ZINC000040380694 JF Annotated Clean O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)NCc1ccccc1 ZINC000040380695 JF Annotated Clean CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C[C@H](O)O[C@H]4O3)[C@H]1CCC[C@]21CO1 ZINC000040392548 JF Annotated Anodyne Cc1c[nH]c2c(NC(N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)=C(C#N)C#N)cccc12 ZINC000040393520 JF Annotated Reactive C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@]1(C)CC[C@@H](O1)[C@@](C)(OC(C)=O)CCC[C@H](C)[C@H]2OC(C)=O ZINC000040393971 JF Annotated Mild CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2C[C@H](C)N[C@H](C)C2)o1 ZINC000040394266 JF Annotated Anodyne Cn1ccc(-c2cc(COc3ccc(C[C@]4(C(N)=O)C[C@@H]4C(=O)NO)cc3F)c3ccccc3n2)n1 ZINC000040394727 JF Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCn1nnc2ccccc21)Oc1ccccc1 ZINC000040395673 JF Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](COCn1nnc2ccccc21)Oc1ccccc1 ZINC000040395674 JF Annotated Bother COc1cccc2sc(C3(NC(=O)C[C@H](N)Cc4ccccc4F)CCS(=O)(=O)CC3)nc12 ZINC000040401180 JF Annotated Anodyne Cc1oc2nc1C(=O)N[C@@H](C)c1nc(cs1)C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H]2C ZINC000040401344 JF Annotated Anodyne in-vitro Cc1ccc(OC[C@H]2O[C@@H](n3cc(Cn4ccc(N)nc4=O)nn3)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000040403681 JF Annotated Anodyne O=C1/C(=N\NC(=S)NC2CCCCC2)c2cc(OC(F)(F)F)ccc2N1CN1CCOCC1 ZINC000040405039 JF Annotated Mild O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000040406012 JF Annotated Bother CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(NCC(=O)NC)c(-c3ccc(F)cc3)n2n1 ZINC000040407497 JF Annotated Anodyne COc1ccc(Cn2cc(Cc3ccc(OC)c(OC)c3)nc2/N=C2/NC(=O)N(C)C2=O)cc1 ZINC000040411420 JF Annotated Mild O=C(c1cc2cc(OC3CCN(C4COC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1 ZINC000040420593 JF Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)s1)n2CCC(N)=O ZINC000040420987 JF Annotated Mild O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2C[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1 ZINC000040421329 JF Annotated Clean C/C1=C/[C@@H](C)[C@H](O)[C@@H](O)/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 ZINC000040421747 JF Annotated Anodyne CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@@H]3CCCN(C)C3)cc2)nc1 ZINC000040421781 JF Annotated Anodyne CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@H]3CCCN(C)C3)cc2)nc1 ZINC000040421783 JF Annotated Anodyne COC[C@H](O)Cn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1 ZINC000040423039 JF Annotated Anodyne O=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2C[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1 ZINC000040424122 JF Annotated Clean O=C(C1CCCCC1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000040424320 JF Annotated Anodyne O=S(=O)(NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1ccc2c(c1)OCO2 ZINC000040424461 JF Annotated Anodyne COC[C@@H](O)Cn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1 ZINC000040425090 JF Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@@H](C)C(=O)[C@@](C)(O)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000040430706 JF Annotated Anodyne N#Cc1ccc(Cn2cncc2CN(CCN2CCOCC2)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000040430865 JF Annotated Mild CCN(CC)C(=O)CN(c1cc(N(C)C)ccc1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000040431253 JF Annotated Mild CCOC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)CC1 ZINC000040450602 JF Annotated Anodyne CCOC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)CC1 ZINC000040450603 JF Annotated Anodyne C/C(=C/Cc1c(O)n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C)C(F)(F)F ZINC000040465869 JF Annotated Anodyne CN1C(=O)[C@@]23CCCCN2C[C@@]12C[C@@]1(C(=O)Nc4c1ccc1c4OC[C@H](O)C(C)(C)O1)C(C)(C)[C@H]2C3 ZINC000040476903 JF Annotated Anodyne Nc1c(F)c(N2C[C@H](N)[C@H](c3ccc(O)cc3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000040496254 JF Annotated Anodyne N=C(N/N=C\c1ccc(-c2cn3cc(/C=N\NC(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1 ZINC000040496466 JF Annotated Mild N=C(N/N=C\c1ccc2nc(-c3ccc(/C=N/NC(=N)N4CCCC4)cc3)cn2c1)N1CCCC1 ZINC000040496468 JF Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C(C5OCCO5)=C[C@@]43C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000040498174 JF Annotated Anodyne C[N+]1(CCNC(=O)CNC(=O)C[N+](C)(Cc2ccccc2)Cc2ccccc2)CCCCC1 ZINC000040498395 JF Annotated Mild CCN(CC)C(=O)COc1c(CNCCCNC(=O)C2=CC(C)(C)NC2(C)C)cccc1OC ZINC000040503825 JF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](c4ccc(CN)c5ccccc45)C3)[C@H](C)[C@H]12 ZINC000040504831 JF Annotated Anodyne C=CC[C@@H](N)c1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 ZINC000040505440 JF Annotated Mild C=CC[C@H](N)c1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 ZINC000040505442 JF Annotated Mild CCSC[C@H](N)c1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 ZINC000040505550 JF Annotated Anodyne CCSC[C@@H](N)c1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 ZINC000040505554 JF Annotated Anodyne CCN(c1ccccc1)c1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000040506297 JF Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O[C@@H]3CCCCO3)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000040510695 JF Annotated Anodyne CCOc1nc2ccccc2nc1C(=O)Nc1cc(CN2CCOCC2)c(O)c(N2CCOCC2)c1 ZINC000040565610 JF Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C/C=C/c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000040566895 JF Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccc(C)o4)CC3)c(F)c2)C(=O)O1 ZINC000040566972 JF Annotated Anodyne O=S(=O)(/N=C1\NCCN1C(=S)SN1CCn2c1nsc2=S)c1cccc(Cl)c1 ZINC000040567117 JF Annotated Mild CN(C)CCNc1ccc(NCCN2CC[C@H](Cl)C2)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000040568069 JF Annotated Reactive CN(C)CCNc1ccc(NCCN2CC[C@@H](Cl)C2)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000040568071 JF Annotated Reactive CN(C)CCNc1ccc(NCCN2CCC(Cl)CC2)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000040575340 JF Annotated Reactive CNCCCOc1cc(F)c(C2=C(N[C@H](C)C(F)(F)F)N3N=CN[C@@H]3N=C2Cl)c(F)c1 ZINC000040577103 JF Annotated Anodyne CNCCCOc1cc(F)c(C2=C(N[C@H](C)C(F)(F)F)N3N=CN[C@H]3N=C2Cl)c(F)c1 ZINC000040577105 JF Annotated Anodyne CNS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1N(C)c1ccccc1 ZINC000040631722 JF Annotated Anodyne C=CCOc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1S(=O)(=O)NC(=S)NC ZINC000040631794 JF Annotated Mild COC(=O)C[C@]1(O)C[C@H](OC)C[C@H]([C@H](O)/C=C(C)/C=C/[C@@H](C/C=C/Br)OC)O1 ZINC000040639548 JF Annotated Anodyne CCCCCCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000040737356 JF Annotated Anodyne CNCCCOc1cc(F)c(C2=C(NCC(F)(F)F)N3N=CN[C@H]3N=C2Cl)c(F)c1 ZINC000040753722 JF Annotated Anodyne CNCCCOc1cc(F)c(C2=C(NCC(F)(F)F)N3N=CN[C@@H]3N=C2Cl)c(F)c1 ZINC000040753725 JF Annotated Anodyne O=C(O)c1ccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1O ZINC000040762657 JF Annotated Anodyne CC(C)(C)OC(=O)CN1C(=O)N(CC(=O)OC(C)(C)C)[C@@H]2CCCN2C(=O)[C@@H]1Cc1ccccc1 ZINC000040766702 JF Annotated Anodyne CN(C)CCNc1ccc(NCCN2CCC[C@H](Cl)C2)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000040766908 JF Annotated Reactive CN(C)CCNc1ccc(NCCN2CCC[C@@H](Cl)C2)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000040766909 JF Annotated Reactive Cc1ccc(N(C)c2cc(NCc3ccco3)c(S(=O)(=O)O)cc2S(N)(=O)=O)cc1 ZINC000040822896 JF Annotated Anodyne COC(=O)COc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1 ZINC000040829371 JF Annotated Anodyne O=S(=O)(/N=C1\NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(Cl)cc1 ZINC000040833929 JF Annotated Mild CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1Cc1ccc(C#N)cc1 ZINC000040846389 JF Annotated Mild COc1cc(-n2cccn2)ccc1N1CCc2c(-n3ccc(-n4cc[nH]c4=O)n3)cc(C)nc21 ZINC000040847166 JF Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)NCCc1ccccc1 ZINC000040847554 JF Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)NCCc1ccccc1 ZINC000040847556 JF Annotated Anodyne COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(C5=NCCO5)CC4)cc2)CC3)cc1 ZINC000040848311 JF Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)Oc1ccccc1C(=O)N/N=C\c1ccc(C(=O)O)cc1)OCO2 ZINC000040859869 JF Annotated Reactive CCCCSc1nc(N2CCN(C)CC2)c2nc(O)c(=O)n(Cc3ccc(F)cc3)c2n1 ZINC000040861014 JF Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O ZINC000040861555 JF Annotated Mild CC(C)=CCN1C([C@@H]2CC[C@H]3NCC[C@H]32)=N[C@@H]2[C@@H]1C(=O)N(CC(=O)c1ccccc1)C(=O)N2C ZINC000040862386 JF Annotated Anodyne CC(C)=CCN1C([C@@H]2CC[C@H]3NCC[C@H]32)=N[C@@H]2[C@H]1C(=O)N(CC(=O)c1ccccc1)C(=O)N2C ZINC000040862388 JF Annotated Anodyne CC(C)=CCN1C([C@@H]2CC[C@H]3NCC[C@H]32)=N[C@H]2[C@@H]1C(=O)N(CC(=O)c1ccccc1)C(=O)N2C ZINC000040862390 JF Annotated Anodyne CC(C)=CCN1C([C@@H]2CC[C@H]3NCC[C@H]32)=N[C@H]2[C@H]1C(=O)N(CC(=O)c1ccccc1)C(=O)N2C ZINC000040862392 JF Annotated Anodyne CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1Cc1ccccc1 ZINC000040863284 JF Annotated Anodyne CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)O)C(=O)Nc1cc2c(cc15)OC(C)(C)C=CO2 ZINC000040866370 JF Annotated Anodyne O=C(O)c1cn2c(n1)CN(c1cc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c1ccc(F)cc1)CC2 ZINC000040872457 JF Annotated Bother C[C@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CCN1c1ncc(C(F)(F)F)cn1 ZINC000040874002 JF Annotated Anodyne O=C1C2=C(C3=NCCc4c[nH]c1c43)C1(C=CN2)C=C(Br)C(O)C(Br)=C1 ZINC000040874154 JF Annotated Mild CCCS(=O)(=O)N1CCC(CNC(=O)c2c(N)cccc2Cl)(c2ccccn2)CC1 ZINC000040874480 JF Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]2(C)[C@H]1OC(C)=O ZINC000040874842 JF Annotated Anodyne in-vitro CC(C)(C)NC(=O)[C@@H]1CCC[N+]12[C@H](O)[C@H](Cc1ccccc1)NC(=O)N2Cc1ccccc1 ZINC000040875185 JF Annotated Mild CC(C)(C)NC(=O)[C@@H]1CCC[N+]12[C@@H](O)[C@H](Cc1ccccc1)NC(=O)N2Cc1ccccc1 ZINC000040875187 JF Annotated Mild Cc1cc2c(cc1S(=O)(=O)Oc1cccc(C(=O)N/N=C\c3ccc(N)cc3)c1)OCO2 ZINC000040878523 JF Annotated Reactive COc1cccc(CNC(=O)c2cc(C(F)(F)F)nn2-c2csc(CNC(=O)[C@H](C)N)c2)c1 ZINC000040891576 JF Annotated Anodyne CNC(=O)c1cc2c(NCCN(C)C)c3c(c(NCCN(C)C)c2s1)C(=O)c1ccccc1C3=O ZINC000040892365 JF Annotated Clean CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(CC[C@H](O)C(C)(C)O)C/C=C(/CO)C(=O)/C=C/[C@@]1(C)O ZINC000040894205 JF Annotated Mild N[C@@H](CC(=O)NC1(c2nc3ccccc3s2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000040894758 JF Annotated Anodyne C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN3CCOCC3)nn2)O1 ZINC000040895530 JF Annotated Mild CNCC1(c2ccc(N3CC[C@H]4C(S(C)(=O)=O)=NN(c5ccc(OC)cc5)[C@@H]4C3=O)cc2)CC1 ZINC000040895581 JF Annotated Anodyne CNCC1(c2ccc(N3CC[C@@H]4C(S(C)(=O)=O)=NN(c5ccc(OC)cc5)[C@@H]4C3=O)cc2)CC1 ZINC000040895584 JF Annotated Anodyne CNCC1(c2ccc(N3CC[C@H]4C(S(C)(=O)=O)=NN(c5ccc(OC)cc5)[C@H]4C3=O)cc2)CC1 ZINC000040895587 JF Annotated Anodyne CNCC1(c2ccc(N3CC[C@@H]4C(S(C)(=O)=O)=NN(c5ccc(OC)cc5)[C@H]4C3=O)cc2)CC1 ZINC000040895590 JF Annotated Anodyne CC(=O)Nc1cc(F)ccc1CN1Cc2c(c(O)c3ncccc3c2N(C)S(C)(=O)=O)C1=O ZINC000040896296 JF Annotated Anodyne COc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN4CCN(C)CC4)c(N)c3)n(C)c2c1 ZINC000040898655 JF Annotated Anodyne CC(=O)Nc1nc2c(ncn2C[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c(=O)[nH]1 ZINC000040898816 JF Annotated Anodyne CC(=O)Nc1nc2c(ncn2C[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c(=O)[nH]1 ZINC000040898819 JF Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000040899272 JF Annotated Bother O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(F)c1 ZINC000040899589 JF Annotated Bother CCCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCN(C)CC3)C1=O)CCO2 ZINC000040901247 JF Annotated Mild Cc1cc(Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2F)nn(COC(=O)CN)c1=O ZINC000040913708 JF Annotated Mild C[C@H](N)C(=O)NCc1cc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2)cs1 ZINC000040913754 JF Annotated Anodyne CNC(=O)/C=C(\c1ccc(OC)cc1)c1ccc2nc(NCC(=O)NC)c(-c3ccc(F)cc3)n2n1 ZINC000040914189 JF Annotated Anodyne C[C@H]1CCCCC[C@H](O)C(=O)[C@H](S[C@@H]2CC(=O)O[C@H](C)CCCCC[C@H](O)C2=O)CC(=O)O1 ZINC000040917119 JF Annotated Anodyne CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(C#N)nc1OCC1CCN(CCO)CC1 ZINC000040918259 JF Annotated Mild O=C1/C(=N\NC(=S)Nc2ccccc2)c2cc(OC(F)(F)F)ccc2N1CN1CCOCC1 ZINC000040918508 JF Annotated Mild CCOC(=O)C#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(C)Cc3ccccc3)O2)nn1 ZINC000040919047 JF Annotated Mild CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)C(C)C)cc1 ZINC000040919276 JF Annotated Mild CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)C(C)C)cc1 ZINC000040919277 JF Annotated Mild CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(C=O)s1)n2CCC(N)=O ZINC000040933870 JF Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](OC(C)=O)[C@@]1(C)CC[C@H](O1)[C@@](C)(O)CC[C@@H]2OC(C)=O ZINC000040934029 JF Annotated Mild C[C@H](NS(=O)(=O)c1cccc(Br)c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040934044 JF Annotated Mild C[C@@H](NS(=O)(=O)c1cccc(Br)c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040934045 JF Annotated Mild C[C@H](NS(=O)(=O)c1ccccc1Br)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040934046 JF Annotated Mild C[C@@H](NS(=O)(=O)c1ccccc1Br)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040934047 JF Annotated Mild COc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)cc1 ZINC000040934270 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040935258 JF Annotated Mild C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040935260 JF Annotated Mild COCCNCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(C)Cc3ccccc3)O2)nn1 ZINC000040936287 JF Annotated Mild C[C@@H](C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCCCC#N)nn2)O1 ZINC000040936711 JF Annotated Mild C[C@@H](C(=O)N1CCN(C[C@H]2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCCCC#N)nn2)O1 ZINC000040936713 JF Annotated Mild CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C(=O)O)cc1)n2CCC(N)=O ZINC000040937015 JF Annotated Anodyne O=c1n(-c2ccccc2)nc2c(NS(=O)(=O)c3ccccc3)nc3c([N+](=O)[O-])cccc3n12 ZINC000040938921 JF Annotated Bother CO[C@H]1/C=C/[C@@H](C)CC[C@@H]2C[C@H](C[C@](O)([C@@H]3CSC(=O)N3)O2)OC(=O)/C=C(/C)CC[C@@H]1O ZINC000040939127 JF Annotated Anodyne CCS(=O)(=O)N1CCC(Oc2cc3cnccc3cc2-c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000040943076 JF Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3ccc(Br)s3)CC2)s1 ZINC000040943393 JF Annotated Bother O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000040943517 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000040943519 JF Annotated Anodyne COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cccnc2OC)C(C)(C)C)cc1OC ZINC000040949384 JF Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cccnc2OC)C(C)(C)C)cc1OC ZINC000040949386 JF Annotated Mild COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cccnc2OC)C(C)(Cl)Cl)cc1OC ZINC000040950042 JF Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cccnc2OC)C(C)(Cl)Cl)cc1OC ZINC000040950044 JF Annotated Mild COc1cc(OC)cc(C(=O)N[C@@H](N/C(=N/C#N)Nc2cccnc2OC)C(C)(Cl)Cl)c1 ZINC000040950046 JF Annotated Mild COc1cc(OC)cc(C(=O)N[C@H](N/C(=N/C#N)Nc2cccnc2OC)C(C)(Cl)Cl)c1 ZINC000040950048 JF Annotated Mild Cc1nc(C)c(CN2CCN(C(=O)c3ccccc3I)CC2)nc1C ZINC000040950393 JF Annotated Anodyne COc1ccc(N/C(=N\C#N)N[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C(C)(C)C)c(OC)n1 ZINC000040952310 JF Annotated Mild COc1ccc(N/C(=N\C#N)N[C@@H](NC(=O)Cc2ccc(OC)c(OC)c2)C(C)(C)C)c(OC)n1 ZINC000040952312 JF Annotated Mild O=P(O)(O)C(O)(Cn1c2c(c3ccccc31)CCSc1ccccc1-2)P(=O)(O)O ZINC000040952316 JF Annotated Anodyne C[C@@H](O)[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@H](C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1 ZINC000040954599 JF Annotated Mild in-vitro CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CN3CCOCC3)ccc21 ZINC000040954848 JF Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@@H](C)C(=O)[C@@H](CO)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000040955628 JF Annotated Anodyne C[C@H]1CCC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@@H](CO)C1=O ZINC000040955631 JF Annotated Anodyne CN1CCN(/N=C/c2c(N)ncnc2Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)CC1 ZINC000040973372 JF Annotated Mild CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@H]3[C@@H](C[C@@H](O)C4=CC=CC(=O)[C@@]43C)[C@@H]3CC[C@@](O)([C@@H]2C)[C@]31C ZINC000040975284 JF Annotated Mild C=C([C@@H](C[C@H](O)C(C)(C)O)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)/C(C)=C\C ZINC000040975416 JF Annotated Mild C=C([C@H](C[C@H](O)C(C)(C)O)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)/C(C)=C\C ZINC000040975418 JF Annotated Mild C=C([C@@H](C[C@@H](O)C(C)(C)O)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)/C(C)=C\C ZINC000040975420 JF Annotated Mild C=C([C@H](C[C@@H](O)C(C)(C)O)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)/C(C)=C\C ZINC000040975422 JF Annotated Mild COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN5CCCC5=O)CC4)cc2)CC3)cc1 ZINC000040980863 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@H](O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]57C)[C@@H]3CC[C@H]24)C1 ZINC000042808406 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@H](O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]57C)[C@@H]3CC[C@@H]42)C1 ZINC000042808411 JF Annotated Mild C[C@H]1C[C@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000042835525 JF Annotated Mild C[C@H]1C[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C ZINC000042835527 JF Annotated Mild in-vitro biogenic C[C@H]1C=C[C@H]2[C@H]3C/C=C\C=C\C(=O)NCC[C@H](O)[C@@H]4NC(=O)/C(=C(\O)CC/C=C/[C@@H]3C[C@H]12)C4=O ZINC000042851223 JF Annotated Mild C[C@H]1C=C[C@@H]2[C@H]3C/C=C\C=C\C(=O)NCC[C@H](O)[C@@H]4NC(=O)/C(=C(\O)CC/C=C/[C@@H]3C[C@@H]21)C4=O ZINC000042851226 JF Annotated Mild C[C@H]1C=C[C@@H]2[C@H]1C[C@H]1/C=C/CC/C(O)=C3/C(=O)N[C@H](C3=O)[C@@H](O)CCNC(=O)/C=C/C=C\C[C@@H]12 ZINC000042851229 JF Annotated Mild C[C@H]1C=C[C@H]2[C@H]1C[C@H]1/C=C/CC/C(O)=C3/C(=O)N[C@H](C3=O)[C@@H](O)CCNC(=O)/C=C/C=C\C[C@H]21 ZINC000042851232 JF Annotated Mild CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]34C)[C@]23O[C@H]13 ZINC000042852221 JF Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)[C@@H](O)[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000042877472 JF Annotated Mild CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](OC(C)=O)[C@@]3(O)[C@H](/C=C(\C)CC[C@@H](OC(C)=O)[C@@]12C)OC(=O)[C@@H]3C ZINC000042877730 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000042878403 JF Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)CC[C@H](O1)[C@](C)(O)CC[C@H]2OC(C)=O ZINC000042887682 JF Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)C3 ZINC000042891456 JF Annotated Mild in-vitro biogenic C/C1=C/[C@@H](C)[C@H](O)C/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 ZINC000042891536 JF Annotated Anodyne CN1CCN(c2ccc(-c3cnc4ccn(S(=O)(=O)c5cccc6nonc56)c4c3)cn2)CC1 ZINC000043009210 JF Annotated Anodyne CCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043010939 JF Annotated Anodyne CC(C)OCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)c(F)c3)nc21 ZINC000043011639 JF Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)Cc5ccccc5)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043012802 JF Annotated Anodyne N#Cc1c(-c2ccc(N3CCOCC3)cc2)c(C#N)c2n(Cc3ccccc3)c(S)n[n+]2c1N ZINC000043023066 JF Annotated Mild COc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4ccc(Cl)cc4)CC3)ccc2=O)cc1 ZINC000043023072 JF Annotated Reactive COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc3cn[nH]c(=O)c3c1O)CC2 ZINC000043023951 JF Annotated Clean Cc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2=O)cc1 ZINC000043061291 JF Annotated Reactive O=C(Cn1nc(N2CCN(c3ccc(Cl)cc3)CC2)ccc1=O)N/N=C/Cc1ccccc1 ZINC000043063327 JF Annotated Reactive Cc1cc2cc(N/C(=N\C#N)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)cc(F)c2o1 ZINC000043066969 JF Annotated Mild CCCc1nn(CN2CCN(C)CC2)c(=S)n1/N=C/c1c[nH]nc1-c1ccc(OC)cc1 ZINC000043068218 JF Annotated Mild Cc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4ccc(Cl)cc4)CC3)ccc2=O)cc1 ZINC000043069273 JF Annotated Reactive COc1cc2c(=O)n(CCNCCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000043072613 JF Annotated Bother Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C5CCCCC5)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043075118 JF Annotated Anodyne COc1cc2c(=O)n(CCOC(=O)CN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000043076747 JF Annotated Bother CC(C)(C)OC(=O)NCC(=O)N1CCc2c(ncnc2NC[C@H](O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000043077483 JF Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)N1CCc2c(ncnc2NC[C@@H](O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000043077486 JF Annotated Anodyne O=C(CN1CCN(Cc2ccccc2Br)CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000043079302 JF Annotated Anodyne CCCCc1c(-c2ccc(O)c(-c3cn(CCOCCOCCN)nn3)c2)n(C)c2nccnc12 ZINC000043080399 JF Annotated Anodyne CCCSC1=C(SCCC)C(=O)C2=C(C[C@H]3[C@H]4[C@H](C(=O)O)C[C@@H]([C@H]5OC[C@@H]2N35)N4C)C1=O ZINC000043100448 JF Annotated Mild CCCSC1=C(SCCC)C(=O)C2=C(C[C@H]3[C@H]4[C@H](C(=O)O)C[C@@H]([C@@H]5OC[C@@H]2N53)N4C)C1=O ZINC000043100452 JF Annotated Mild CC(C)SC1=C(SC(C)C)C(=O)C2=C(C[C@H]3[C@H]4[C@H](C(=O)O)C[C@@H]([C@H]5OC[C@@H]2N35)N4C)C1=O ZINC000043100617 JF Annotated Mild CC(C)SC1=C(SC(C)C)C(=O)C2=C(C[C@H]3[C@H]4[C@H](C(=O)O)C[C@@H]([C@@H]5OC[C@@H]2N53)N4C)C1=O ZINC000043100621 JF Annotated Mild COc1ccc(-c2ccc3nc(NCC(=O)N(C)C)c(=O)n(CC4CCCCC4)c3n2)cn1 ZINC000043119934 JF Annotated Anodyne Cc1cc2cc(N/C(=N\C#N)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)cc(C)c2o1 ZINC000043119938 JF Annotated Mild CCCCN/C(O)=N/S(=O)(=O)c1ccc(-n2nc(-c3ccc(OC)cc3)ccc2=O)cc1 ZINC000043120205 JF Annotated Mild Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C5CCCC5)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043122360 JF Annotated Anodyne COc1nc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc32)c(Cl)c(OC)c1OC ZINC000043123158 JF Annotated Anodyne O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1F)CCNC2 ZINC000043132740 JF Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1cc2c(cc1F)CNCC2 ZINC000043132742 JF Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1)CCCNC2 ZINC000043153357 JF Annotated Anodyne O=c1ccc2ccc(F)c3c2n1C[C@@H]3CN1CCC(NCc2cc3c(cn2)OCCO3)CC1 ZINC000043154344 JF Annotated Anodyne O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCO3)CC1 ZINC000043154345 JF Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cccc(S(N)(=O)=O)n1 ZINC000043197765 JF Annotated Mild CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccnc(S(N)(=O)=O)c1 ZINC000043197766 JF Annotated Mild CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cncc(S(N)(=O)=O)c1 ZINC000043197767 JF Annotated Mild Cc1ccc(-n2nc(C)c(C(=O)N[C@@H]3COc4cccc(N5CCN(C)CC5)c4C3)n2)c(C)c1 ZINC000043200766 JF Annotated Anodyne COc1ccc(Cn2c(=O)c3cc(OC(F)F)ccc3n(C3CCN(C=O)CC3)c2=O)cc1OC ZINC000043207157 JF Annotated Anodyne CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C#N)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)[C@H](O)[C@@H]1O ZINC000043273738 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@H]3NC(=O)N[C@H]23)(OC)OO1 ZINC000043356536 JF Annotated Reactive CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl ZINC000043362153 JF Annotated Reactive COCCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCCOC)c2ccccc12 ZINC000043397024 JF Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@H]2CO[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@]2(O)[C@]43C)C1 ZINC000043552860 JF Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@H]2CC[C@@H]1C3 ZINC000043552952 JF Annotated Mild C=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)CO[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@H]2CC[C@@H]1C3 ZINC000043552954 JF Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]2CC[C@@H]1C3 ZINC000043552956 JF Annotated Mild C=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)CO[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]2CC[C@@H]1C3 ZINC000043552958 JF Annotated Mild COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(NCCO)=CC3=O)C2=O ZINC000043587139 JF Annotated Mild C/C(=N\OS(C)(=O)=O)NCCCCCCCCCCCCN/C(C)=N/OS(C)(=O)=O ZINC000043587363 JF Annotated Mild O=C(NC[C@H]1CN(c2cc(F)c([C@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(Cl)Cl ZINC000044032026 JF Annotated Reactive O=C(NC[C@H]1CN(c2cc(F)c([C@@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(Cl)Cl ZINC000044032028 JF Annotated Reactive CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c(Br)cc2C[C@H]1C ZINC000044139569 JF Annotated Anodyne CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c(Br)cc2C[C@@H]1C ZINC000044139571 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1 ZINC000044281324 JF Annotated Mild in-vitro C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)[C@H](O)C[C@]6(C)[C@H]5[C@@H](O)C[C@@]45C(=O)O[C@]2(C)[C@@H]35)OC1(C)C ZINC000044351554 JF Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3OC(C)=O ZINC000044359793 JF Annotated Mild in-vitro biogenic C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C ZINC000044360805 JF Annotated Anodyne C[C@H]1[C@@]2(O)[C@H](C[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000044360810 JF Annotated Anodyne CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC(=O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044362184 JF Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C ZINC000044362249 JF Annotated Mild C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C2)[C@@H]1O ZINC000044387099 JF Annotated Mild in-vitro biogenic C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000044387414 JF Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C[C@H](OC(C)=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]23C)[C@@H]1O ZINC000044387489 JF Annotated Mild C=C(CC[C@@H](C)[C@H]1CC(=O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)CO ZINC000044387593 JF Annotated Mild Cc1cc(O)c2c(c1)[C@@H](C[C@H]1OC[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H]1O)c1cccc(O)c1C2=O ZINC000044418002 JF Annotated Anodyne C=C(CC[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)CO ZINC000044419146 JF Annotated Mild C[C@H](CO)[C@H](C)CC[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@]3(O)C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044430526 JF Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1 ZINC000004733547 JF Annotated Anodyne CCN(CC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1 ZINC000004733551 JF Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1 ZINC000004733555 JF Annotated Anodyne CCN(CC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1 ZINC000004733559 JF Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000004733723 JF Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC000004733729 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCC[C@H](C)C3)c21 ZINC000004757977 JF Annotated Anodyne CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)CC1 ZINC000004758428 JF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ccccn3)c21 ZINC000004765388 JF Annotated Anodyne O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)N1CCN(C2CCCCC2)CC1 ZINC000004790141 JF Annotated Anodyne COc1ccc2nccc(NCC3(O)CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000045167185 JF Annotated Anodyne COc1ccc2nccc(NC(=O)C3(O)CCC(NCc4ncc5c(c4Cl)OCCO5)CC3)c2n1 ZINC000045167381 JF Annotated Anodyne COc1ccc2nccc(N(C)CC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000045168513 JF Annotated Anodyne Cc1ccc(Cc2c[nH]c(NCCSCc3ccc(CN4CCOCC4)o3)nc2=O)cn1 ZINC000045187635 JF Annotated Anodyne COc1ccc2nccc(N3CCC(O)(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000045188593 JF Annotated Anodyne COc1ccc2ncc(F)c(CCN3CCC4(CC3)COC(c3cc5c(cn3)OCCO5)=N4)c2n1 ZINC000045189343 JF Annotated Anodyne CNC(=O)NC1=NC(C)(C)N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C(N)=N1 ZINC000045189652 JF Annotated Anodyne CN1CCC(N(C)c2nccc(N3CCN(Cc4cncn4Cc4ccccc4)CC3)n2)CC1 ZINC000045190928 JF Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@@H](CNCc4ccc5oc(=O)ccc5c4)C3)c2n1 ZINC000045190961 JF Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@H](CNCc4ccc5oc(=O)ccc5c4)C3)c2n1 ZINC000045190964 JF Annotated Anodyne COc1ccc2nccc(N(C)CC3(O)CCN(CCc4ccc5c(c4)OCCO5)CC3)c2n1 ZINC000045191138 JF Annotated Anodyne COc1cc(CN2CCN(c3ccnc(N(C)C4CCN(C)CC4)n3)CC2)cc(Cl)c1O ZINC000045192247 JF Annotated Anodyne COc1ccc2nccc(NCC3(O)CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000045192399 JF Annotated Anodyne CCOC(=O)c1nc(-c2cc(Cl)nc(Cl)c2)[nH]c1NC(=S)NCCCN1CCOCC1 ZINC000045195772 JF Annotated Anodyne COc1ccc2nccc(NCC3(O)CCN(CCc4ccc5c(c4)OCCO5)CC3)c2n1 ZINC000045202817 JF Annotated Anodyne COc1ccc2c(=O)ccn(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1 ZINC000045202949 JF Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cc(C)nc(Cl)c3)CO[C@H]12 ZINC000045244976 JF Annotated Anodyne Cc1cc2cc(N/C(=N\C(=O)N(C)C)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1 ZINC000045245974 JF Annotated Mild CCOc1cc(C(=O)NC)ccc1O[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC000045255417 JF Annotated Anodyne CCOc1cc(C(=O)NC)ccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC000045255420 JF Annotated Anodyne Cc1nc(O)c2c(n1)n(-c1nnc(-c3ccccc3)c(-c3ccccc3)n1)n1c(=O)c(C)nnc21 ZINC000045255460 JF Annotated Anodyne CCOC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000045256175 JF Annotated Bother CC(=S)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000045256739 JF Annotated Bother CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 ZINC000045258417 JF Annotated Anodyne N=C1ON=C(N)[C@H]1[C@H](CS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000045259115 JF Annotated Anodyne N=C1ON=C(N)[C@H]1[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000045259116 JF Annotated Anodyne O=CC1=C(SCC(=O)N2CCOCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 ZINC000045283294 JF Annotated Reactive CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(c2cccc(-n3cccn3)c2)CCCOC1 ZINC000045283676 JF Annotated Anodyne CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(-n3cccn3)c2)CCCOC1 ZINC000045283678 JF Annotated Anodyne CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc1C2 ZINC000045283948 JF Annotated Anodyne COc1ccc([C@H](O)CNC2=CC(=O)c3c(ccn3S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000045284555 JF Annotated Mild CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(=O)C(F)F)C[C@@]1(C)N ZINC000045286195 JF Annotated Mild CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(=O)C(F)F)C[C@]1(C)N ZINC000045286197 JF Annotated Mild CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(C)=O)C[C@@]1(C)N ZINC000045286715 JF Annotated Mild CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(C)=O)C[C@]1(C)N ZINC000045286717 JF Annotated Mild O=C(CN1CCCC1)NCc1cccc2cc3cccc(CNC(=O)CN4CCCC4)c3nc12 ZINC000045287904 JF Annotated Bother COc1ccc([C@@H](O)CNC2=CC(=O)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3C2=O)cc1 ZINC000045287982 JF Annotated Mild CS(=O)(=O)c1ccc(CN2C(=O)NC3(C[C@@H]4CC[C@H](C3)N4Cc3cccc(F)c3)C2=O)cc1 ZINC000045289296 JF Annotated Anodyne CS(=O)(=O)c1ccc(CN2C(=O)NC3(C[C@@H]4CC[C@H](C3)N4Cc3ccc(F)c(F)c3)C2=O)cc1 ZINC000045290678 JF Annotated Anodyne CC1(C)C/C(=N\NC(=N)N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21 ZINC000045299177 JF Annotated Mild O=C(O)C[C@H](NCCc1nc(C(=O)O)cc2c3ccccc3n(Cc3ccccc3)c12)C(=O)O ZINC000045299216 JF Annotated Anodyne CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)CN(Cc3ccccc3)C(=O)C(C)(C)C)cc1C2 ZINC000045299843 JF Annotated Anodyne COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=N/N3CC(=O)NC3=O)CC(C)C)oc12 ZINC000045301381 JF Annotated Mild CN1CCC(NCc2cccc(-c3ccc(S(=O)(=O)NCCN4CCCC4)s3)c2)CC1 ZINC000045301616 JF Annotated Anodyne CC(CO)(CO)NCc1cc2c3ccccc3c(CNC(C)(CO)CO)cc2c2ccccc12 ZINC000045301626 JF Annotated Bother O=c1ccc2ncc(Cl)c3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCO3)CC1 ZINC000045302180 JF Annotated Anodyne O=c1ccc2ncc(Cl)c3c2n1C[C@@H]3CN1CCC(NCc2cc3c(cn2)OCCO3)CC1 ZINC000045302181 JF Annotated Anodyne O=C(CN1C(=O)C[C@H]1S(=O)(=O)Cc1ccco1)NCCCCCCc1ccc(F)cc1 ZINC000045302496 JF Annotated Anodyne O=C(CN1C(=O)C[C@@H]1S(=O)(=O)Cc1ccco1)NCCCCCCc1ccc(F)cc1 ZINC000045302497 JF Annotated Anodyne COC(=O)c1c(S(=O)(=O)NCCN(C)C)sc2c1CCN(C[C@H](C)c1ccccc1)C2 ZINC000045302682 JF Annotated Anodyne COC(=O)c1c(S(=O)(=O)NCCN(C)C)sc2c1CCN(C[C@@H](C)c1ccccc1)C2 ZINC000045302683 JF Annotated Anodyne COCCn1c(CCCCCCCCCCCCc2noc(=O)n2CCOC)noc1=O ZINC000045302880 JF Annotated Anodyne COc1ccc2ncc(C#N)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000045302942 JF Annotated Mild CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(Cl)c4)CC3)nc21 ZINC000045318390 JF Annotated Anodyne CC1(C)C/C(=N\NC2=NCCN2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21 ZINC000045320921 JF Annotated Mild COc1ccc2nccc(N(C)CC3(O)CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000045321997 JF Annotated Anodyne COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1 ZINC000045323108 JF Annotated Anodyne COc1ccc2ncc(F)c(CCN3CC[C@H](NCc4cc5c(s4)CCCN5)[C@H](O)C3)c2n1 ZINC000045324171 JF Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(NCC(=O)Nc4cc(F)cc(F)c4)CC3)c2n1 ZINC000045334672 JF Annotated Anodyne COc1ccc2ncc(F)c(CCN3CC[C@H](NCc4cc(C#N)c5c(c4)OCCO5)[C@H](O)C3)c2c1 ZINC000045334794 JF Annotated Mild CCOC(=O)CNC(=O)/C=C\C(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000045335001 JF Annotated Mild COc1ccc2nccc(NCC3(O)CCN(C[C@H](O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1 ZINC000045335072 JF Annotated Anodyne COc1ccc2nccc(NCC3(O)CCN(C[C@@H](O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1 ZINC000045335074 JF Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCO5)coc3c2C)OC1(C)C ZINC000045337878 JF Annotated Anodyne C[C@H](NC(=O)CN(c1ncnc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000045340131 JF Annotated Anodyne C[C@H](NC(=O)CN(c1ncnc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000045340134 JF Annotated Anodyne O=C(O)c1ccc(Cn2nnc(-c3ccnc(C(=O)NCc4ccc(F)c(F)c4)c3)n2)cc1 ZINC000045348198 JF Annotated Anodyne CC(C)C[C@H](NC(=O)N[C@H](C(=O)O)c1ccc(O)c(I)c1)C(=O)OC(C)C ZINC000045353396 JF Annotated Anodyne CC(C)C[C@H](NC(=O)N[C@@H](C(=O)O)c1ccc(O)c(I)c1)C(=O)OC(C)C ZINC000045353400 JF Annotated Anodyne CSCC[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)OCc1ccccc1 ZINC000045353614 JF Annotated Anodyne Cc1cc(-c2nnn(Cc3ccc(C(=O)O)cc3)n2)cc(C(=O)NCc2ccc(F)c(F)c2)n1 ZINC000045354418 JF Annotated Anodyne O=C(N[C@H]1C=C[C@@H](O)CC1)OC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1 ZINC000045357038 JF Annotated Anodyne Cc1cc(NCc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000045358437 JF Annotated Bother CC(=O)Oc1cc(C(=O)O[C@H]2Cc3ccccc3C[C@H]2OC(C)=O)cc(OC(C)=O)c1OC(C)=O ZINC000045358686 JF Annotated Anodyne CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)O[C@@H](C)CO)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000045364420 JF Annotated Mild CC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)O[C@H](C)CO)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000045364423 JF Annotated Mild C[C@@H](CNc1cnc2cc(Cl)ccc2c1)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000045367417 JF Annotated Anodyne C[C@H](CNc1cnc2cc(Cl)ccc2c1)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000045367420 JF Annotated Anodyne CC(=O)c1ccc2c(c1)N(C[C@@](O)(Cn1cncn1)c1ccc(Br)cc1)C(=O)CO2 ZINC000045369140 JF Annotated Anodyne CC(=O)c1ccc2c(c1)N(C[C@](O)(Cn1cncn1)c1ccc(Br)cc1)C(=O)CO2 ZINC000045369144 JF Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc([N+](=O)[O-])cc3)CO[C@H]12 ZINC000045387346 JF Annotated Bother in-vivo CN(C)C(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000045387787 JF Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)nn2)c1 ZINC000045388874 JF Annotated Anodyne CC1=CC(C)(C)N(c2nc(N)nc([C@H](C)Sc3cc(Cl)c(C)cc3S(N)(=O)=O)n2)N1 ZINC000045496310 JF Annotated Anodyne CC1=CC(C)(C)N(c2nc(N)nc([C@@H](C)Sc3cc(Cl)c(C)cc3S(N)(=O)=O)n2)N1 ZINC000045496312 JF Annotated Anodyne CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O ZINC000045496631 JF Annotated Mild COc1c(C)c(OC)c(OC)c2c1C=C1CN(C)CC(=O)N1[C@H]2CN1Cc2ccccc2C1=O ZINC000045498300 JF Annotated Anodyne CC(C)c1noc(CN2CCC(O[C@@H]3CC[C@@H](Oc4cnc(S(C)(=O)=O)cn4)CC3)CC2)n1 ZINC000473086026 JF Annotated Anodyne CC(C)c1nc(CN2CCC(O[C@@H]3CC[C@@H](Oc4cnc(S(C)(=O)=O)cn4)CC3)CC2)no1 ZINC000473086059 JF Annotated Anodyne O=C1c2ccccc2CN1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(I)cc1 ZINC000473086926 JF Annotated Anodyne COc1cc(C(=O)NCc2cn([C@]3(C(C)C)Oc4cc5oc(=O)ccc5cc4C3=O)nn2)ccc1O ZINC000473090062 JF Annotated Anodyne COc1cc(C(=O)NCc2cn([C@@]3(C(C)C)Oc4cc5oc(=O)ccc5cc4C3=O)nn2)ccc1O ZINC000473090063 JF Annotated Anodyne Cc1cc2c(-c3cccnc3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2nc1O ZINC000473090213 JF Annotated Anodyne N#Cc1cccc(COc2ccc3c(c2)CN2C(=O)CN(C4CCN(CC(F)F)CC4)C(=O)[C@H]2C3)c1 ZINC000473090247 JF Annotated Mild Cc1cc2c(-c3cncnc3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2nc1O ZINC000473092059 JF Annotated Anodyne N#Cc1cccc(COc2ccc3c(c2)CN2C(=O)CN(C4CCN(CCF)CC4)C(=O)[C@H]2C3)c1 ZINC000473092833 JF Annotated Mild O=C(CN1Cc2ccccc2C1=O)N1CCCN(Cc2ccc(I)cc2)CC1 ZINC000473094847 JF Annotated Anodyne S=C1N(c2ccccc2)c2nc(CN3CCOCC3)nc(N3CCOCC3)c2[C@@H]2CCCN12 ZINC000473094848 JF Annotated Anodyne S=C1N(c2ccccc2)c2nc(CN3CCOCC3)nc(N3CCOCC3)c2[C@H]2CCCN12 ZINC000473094854 JF Annotated Anodyne CS(=O)(=O)c1cccc(Cn2ccc(N3CCc4[nH]nc(-c5ccncc5)c4C3)cc2=O)c1 ZINC000473095837 JF Annotated Anodyne C[C@@H](F)Cc1noc(CN2CCC(O[C@@H]3CC[C@@H](Oc4cnc(S(C)(=O)=O)cn4)CC3)CC2)n1 ZINC000473097794 JF Annotated Anodyne C[C@H](F)Cc1noc(CN2CCC(O[C@@H]3CC[C@@H](Oc4cnc(S(C)(=O)=O)cn4)CC3)CC2)n1 ZINC000473097799 JF Annotated Anodyne C[C@@H](F)Cc1nc(CN2CCC(O[C@@H]3CC[C@@H](Oc4cnc(S(C)(=O)=O)cn4)CC3)CC2)no1 ZINC000473101529 JF Annotated Anodyne C[C@H](F)Cc1nc(CN2CCC(O[C@@H]3CC[C@@H](Oc4cnc(S(C)(=O)=O)cn4)CC3)CC2)no1 ZINC000473101538 JF Annotated Anodyne O=C(NO)c1ccc(CN2C(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3S2(=O)=O)cc1 ZINC000473107091 JF Annotated Anodyne COc1cc(Cn2c(C)c(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc(OC)c1OC ZINC000473109849 JF Annotated Clean CC[C@@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@H](C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1 ZINC000473111579 JF Annotated Mild CC[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@H](C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1 ZINC000473111580 JF Annotated Mild CCS(=O)(=O)N[C@@H]1CC[C@@](C/N=C2/NS(=O)(=O)c3cccc(OC)c32)(c2ccccc2)CC1 ZINC000473112039 JF Annotated Mild COC(=O)C1(NC(=O)c2ccc(NC(=O)C(=O)c3ccccc3NC(C)=O)cc2)CCCC1 ZINC000473112313 JF Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(=O)O ZINC000473113330 JF Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(=O)O ZINC000473113335 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000473114713 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000473114714 JF Annotated Anodyne Cc1cc(Nc2nccc(-n3cc(CN4CC(O)C4)c(C)n3)n2)cc(C)c1OCCN1CCCC1 ZINC000473119013 JF Annotated Anodyne CN1c2ccc(NC(=O)CCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 ZINC000473119332 JF Annotated Clean CN1c2ccc(NC(=O)CCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 ZINC000473119340 JF Annotated Clean COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C(=O)CCN3CCOCC3)CC2)nc2ccccc12 ZINC000473119502 JF Annotated Anodyne COCCNc1cccc(C#Cc2cc(O[C@@H](C)COC)cc(C(=O)N=c3ccn(C)[nH]3)c2)c1 ZINC000473120418 JF Annotated Mild CC(=O)O[C@@H](CC1=CC(=O)OC1)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)O ZINC000473122323 JF Annotated Anodyne CNC(=O)c1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1 ZINC000473123550 JF Annotated Anodyne CNC(=O)c1ccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)cc1 ZINC000473124078 JF Annotated Anodyne CCOC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(C)c3ccccc3C[C@@H](CN(C)C)N2C1=O ZINC000473125627 JF Annotated Bother CCOC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]2(C)c3ccccc3C[C@@H](CN(C)C)N2C1=O ZINC000473125638 JF Annotated Bother Cc1cn(-c2ccnc(Nc3cc(C)c(OS(C)(=O)=O)c(C)c3)n2)cc1CN1CC[C@@H](O)C1 ZINC000473125856 JF Annotated Anodyne COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C(=O)CNCCCN(C)C)CC2)nc2ccccc12 ZINC000473126551 JF Annotated Anodyne COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)N=c4cnn(-c5ccccc5)[nH]4)cc3C2)c1 ZINC000473128392 JF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)c[n+]1[O-])C2 ZINC000473130097 JF Annotated Bother N#C[C@H](CCCCN)NC(=O)c1nc2cc(CN3C(=O)CN(c4ccc(F)cc4)C3=O)ccc2o1 ZINC000473131295 JF Annotated Mild CC(=O)OC[C@]1(C)[C@@H]2[C@H](OC(C)=O)C(=O)[C@@H](C)[C@]3(CC[C@@](C)(CCO)O3)[C@@]2(C)CC[C@H]1OC(C)=O ZINC000473133711 JF Annotated Anodyne O=[N+]([O-])c1cc(Cn2nnnc2SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000473134036 JF Annotated Bother CC(=O)OCC[C@]1(C)CC[C@@]2(O1)[C@H](C)C(=O)[C@@H](OC(C)=O)[C@H]1[C@@](C)(COC(C)=O)[C@H](O)CC[C@@]12C ZINC000473134097 JF Annotated Anodyne COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CC(F)F)cn4)sc3C2)c1 ZINC000473134790 JF Annotated Anodyne C[C@@H]1CN(NC[C@@H](O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)C[C@@H](C)O1 ZINC000473134884 JF Annotated Mild C[C@H]1CN(NC[C@H](O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)C[C@@H](C)O1 ZINC000473134886 JF Annotated Mild C[C@@H]1CN(NC[C@H](O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)C[C@@H](C)O1 ZINC000473134890 JF Annotated Mild C[C@H]1CN(NC[C@@H](O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2)C[C@@H](C)O1 ZINC000473134892 JF Annotated Mild Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@]4(C)O)c4ncccc43)c(F)c2)cn1 ZINC000473134974 JF Annotated Anodyne O=[N+]([O-])c1cc(CSc2nnn(Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc([N+](=O)[O-])c1 ZINC000473135172 JF Annotated Bother CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(C(=O)O)cc3)=NC2=N1 ZINC000473135275 JF Annotated Clean CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(C(=O)O)cc3)=NC2=N1 ZINC000473135276 JF Annotated Clean COC(=O)c1ccc(CSC2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccc(N(C)C)cc4)N3N2)cc1 ZINC000473135472 JF Annotated Clean COC(=O)c1ccc(CSC2=NC3=NC(C)=C(C(N)=O)[C@@H](c4ccc(N(C)C)cc4)N3N2)cc1 ZINC000473135473 JF Annotated Clean COC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)OC[C@@H](C)C(=O)OC)c(OC)cc(O)c1[N+](=O)[O-] ZINC000473135774 JF Annotated Bother COC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)OC[C@H](C)C(=O)OC)c(OC)cc(O)c1[N+](=O)[O-] ZINC000473135775 JF Annotated Bother O=[N+]([O-])c1cc(Cn2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc([N+](=O)[O-])c1 ZINC000473135827 JF Annotated Bother COC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)OC[C@H](C)C(=O)O)c(OC)cc(O)c1[N+](=O)[O-] ZINC000473136220 JF Annotated Bother COC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)OC[C@@H](C)C(=O)O)c(OC)cc(O)c1[N+](=O)[O-] ZINC000473136222 JF Annotated Bother COC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)O[C@H](C)C(=O)O)c(OC)cc(O)c1[N+](=O)[O-] ZINC000473136226 JF Annotated Bother COC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)O[C@@H](C)C(=O)O)c(OC)cc(O)c1[N+](=O)[O-] ZINC000473136227 JF Annotated Bother COc1ccc2cc(-c3cnnn3[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3COC(C)=O)ccc2c1 ZINC000473136269 JF Annotated Anodyne O=[N+]([O-])c1cc(CSc2nnnn2Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000473136459 JF Annotated Bother CNc1nc(S(=O)(=O)c2ccc(=N)[nH]c2)ccc1-c1ccc([C@@](C)(O)C(F)(F)F)cn1 ZINC000473136660 JF Annotated Anodyne CNc1nc(S(=O)(=O)c2ccc(=N)[nH]c2)ccc1-c1ccc([C@](C)(O)C(F)(F)F)cn1 ZINC000473136666 JF Annotated Anodyne CCNc1nc(S(=O)(=O)c2ccc(=N)[nH]c2)ccc1-c1ccc([C@](C)(O)C(F)(F)F)cn1 ZINC000473137691 JF Annotated Anodyne CCNc1nc(S(=O)(=O)c2ccc(=N)[nH]c2)ccc1-c1ccc([C@@](C)(O)C(F)(F)F)cn1 ZINC000473137695 JF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H]4CN(CC(=O)N5CC(O)C5)C[C@H]4C3)cc12 ZINC000473144862 JF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@@H]4CN(CC(=O)N5CC(O)C5)C[C@H]4C3)cc12 ZINC000473144875 JF Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473145067 JF Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000473145525 JF Annotated Anodyne Cc1ccc(CO/N=C2\CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4[C@@H]3C[C@@H]3F)C[C@@H]2CN)cc1 ZINC000473145584 JF Annotated Mild Cc1ccc(CO/N=C2\CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4[C@@H]3C[C@@H]3F)C[C@H]2CN)cc1 ZINC000473145601 JF Annotated Mild CCOc1cc(CN=c2nn[nH][nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000473148652 JF Annotated Bother COC(=O)CN1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CC1 ZINC000473151262 JF Annotated Anodyne O=C1N[C@@](O)(CCn2cnc3cc[nH]c3c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473151820 JF Annotated Anodyne O=C1N[C@](O)(CCn2cnc3cc[nH]c3c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473151821 JF Annotated Anodyne C[C@@]1(CN)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C/C1=N\OCc1ccccc1 ZINC000473152355 JF Annotated Mild C[C@]1(CN)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C/C1=N\OCc1ccccc1 ZINC000473152359 JF Annotated Mild N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1Br ZINC000473154621 JF Annotated Mild CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@@H](O)CN2c2ccccc2)cc1Cl ZINC000473155047 JF Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@H](O)CN2c2ccccc2)cc1Cl ZINC000473155048 JF Annotated Anodyne N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1cccc(Br)c1 ZINC000473155336 JF Annotated Mild COc1cc(CN=c2nn[nH][nH]2)cc(I)c1OCc1ccc(C)cc1 ZINC000473158208 JF Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(C#CCCO)cnc43)cc2OC)cn1 ZINC000473159250 JF Annotated Mild N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccc(Br)cc1 ZINC000473160711 JF Annotated Mild Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2nccc(C(F)(F)F)n2)C3)c(-n2ccnn2)n1 ZINC000473162659 JF Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1 ZINC000473162854 JF Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(NCCO)c(N)c1 ZINC000473164971 JF Annotated Anodyne CC(=O)c1cn(CC(=O)N2C[C@H](F)[C@@H](O)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 ZINC000473164990 JF Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CNCCO)cc1 ZINC000473164992 JF Annotated Anodyne CCOC(=O)CN1C(=O)CN(C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)Cc2ccccc21 ZINC000473170125 JF Annotated Anodyne C[C@H]1/C=C/C(C)(C)[C@@H]2CC[C@@](C)(O2)[C@H](O)[C@@]2(O)O[C@H](C[C@@H](C)[C@H]2OC(=O)c2cccnc2)C1=O ZINC000473171674 JF Annotated Anodyne C[C@]1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C/C1=N\OCc1ccccc1 ZINC000473172846 JF Annotated Mild C[C@@]1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C/C1=N\OCc1ccccc1 ZINC000473172847 JF Annotated Mild NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cc(CO)nn2)cc1 ZINC000473179080 JF Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cc2nn[nH]n2)cc1 ZINC000473179088 JF Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000473179101 JF Annotated Anodyne COCCS(=O)(=O)c1cc(-c2nc(OC)[nH]c(=NCCc3ccc(F)cc3)n2)ccc1Cl ZINC000473179293 JF Annotated Anodyne O=C(c1ccc(OC(F)F)cc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179553 JF Annotated Anodyne Cn1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C(=O)N3CC[C@]4(C)c5cccc(O)c5C[C@@H]3C4(C)C)C2)cn1 ZINC000473183139 JF Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cc4ccnn4C)n2C2CC3C2)no1 ZINC000473194443 JF Annotated Mild Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C(F)(F)F)no1 ZINC000473194899 JF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(Cc2ncc(F)cn2)C3=O)C[C@H]1C ZINC000473198002 JF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(Cc2ncc(F)cn2)C3=O)C[C@H]1C ZINC000473198003 JF Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC2(F)CCOCC2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198635 JF Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2(F)CCOCC2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198638 JF Annotated Mild C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2(F)CCOCC2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198639 JF Annotated Mild COc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C23C(=O)N(C)C(=O)N(C)C3=O)cc1 ZINC000473249914 JF Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCN2CCOCC2)cc1 ZINC000474603508 JF Annotated Mild CCCCN1C(=O)c2cccc3c(NCCN4CCCNCCNCCCNCC4)ccc(c23)C1=O ZINC000474606051 JF Annotated Anodyne CCN1CCN(C(=O)c2c(/C=C3/C(=O)ON=C3C(F)(F)F)c3cc(F)ccc3n2C)CC1 ZINC000474609852 JF Annotated Mild CN1CCN(CCCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2S(=O)(=O)c2ccc(C#N)cc2)[C@@H]34)CC1 ZINC000474609868 JF Annotated Mild CC1(C)C(=O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@]2(C)CCC(=O)O2)[C@@]1(C)[C@@H](O)C3=O ZINC000474610032 JF Annotated Mild C=C(C(=O)OC)[C@H]1C[C@H](OC(C)=O)C2=C(CC[C@H]3[C@@]2(C)CCC(=O)[C@]3(C)C(=O)OC)[C@@H]1OC(C)=O ZINC000049020097 JF Annotated Mild C=C(C(=O)OC)[C@@H]1C[C@H](OC(C)=O)C2=C(CC[C@H]3[C@@]2(C)CCC(=O)[C@]3(C)C(=O)OC)[C@@H]1OC(C)=O ZINC000049020100 JF Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c(Br)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000049031915 JF Annotated Anodyne CCOC[C@]1(CN2CCN(c3ccccn3)CC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049034041 JF Annotated Anodyne CCOC[C@@]1(CN2CCN(c3ccccn3)CC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049034043 JF Annotated Anodyne CN1CCC(N(C)C(=O)[C@@H]2CN(S(=O)(=O)c3cccc4nsnc34)c3ccccc32)CC1 ZINC000049035212 JF Annotated Clean CN1CCC(N(C)C(=O)[C@H]2CN(S(=O)(=O)c3cccc4nsnc34)c3ccccc32)CC1 ZINC000049035214 JF Annotated Clean O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CCOCC1 ZINC000049036068 JF Annotated Anodyne O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CCOCC1 ZINC000049036070 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCCNCC3)c3ccccc32)c2ccccc12 ZINC000049036193 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCCNCC3)c3ccccc32)c2ccccc12 ZINC000049036195 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CC(CN)C3)c3ccccc32)c2ccccc12 ZINC000049037223 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CC(CN)C3)c3ccccc32)c2ccccc12 ZINC000049037225 JF Annotated Anodyne Cc1cc([C@H](OC[C@H](O)CNc2nnn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049049382 JF Annotated Anodyne Cc1cc([C@@H](OC[C@H](O)CNc2nnn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049049386 JF Annotated Anodyne Cc1cc([C@H](OC[C@@H](O)CNc2nnn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049049390 JF Annotated Anodyne Cc1cc([C@@H](OC[C@@H](O)CNc2nnn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049049394 JF Annotated Anodyne CC(C)NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(=O)NC(C)C ZINC000049050457 JF Annotated Anodyne CC(C)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(=O)NC(C)C ZINC000049050461 JF Annotated Anodyne COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CCC2 ZINC000049052816 JF Annotated Reactive COc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CCC2 ZINC000049052820 JF Annotated Reactive Cc1cc(C)c2c(n1)nn1c(N)c(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)nnc21 ZINC000049067215 JF Annotated Clean O=C(c1ccc2c(c1)CCO2)N(CC1CCNCC1)c1ccnc(NC2CCC(O)CC2)n1 ZINC000049069908 JF Annotated Anodyne NC1CCC(Nc2nccc(N(CC3CCNCC3)C(=O)c3ccc4c(c3)CCO4)n2)CC1 ZINC000049069911 JF Annotated Anodyne O=C(O)Cn1nc2n(Cc3ccc(C(Cl)(Cl)Cl)cc3)c3ccccc3n2c(=O)c1=O ZINC000049070688 JF Annotated Anodyne C[C@@H]1OC(=O)c2c(O)cc(OCCNc3ccccn3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C ZINC000049071588 JF Annotated Mild Cc1cc(=O)c2c(O)c(/C=N/CC/N=C/c3c(O)cc4oc(C)cc(=O)c4c3O)c(O)cc2o1 ZINC000049072476 JF Annotated Mild Cc1nc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ccc2s1 ZINC000049072990 JF Annotated Anodyne CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4C[C@]5(C)CC(=O)Nc6cccc4c65)nc3cc1C2 ZINC000049087824 JF Annotated Anodyne CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4C[C@@]5(C)CC(=O)Nc6cccc4c65)nc3cc1C2 ZINC000049087827 JF Annotated Anodyne NS(=O)(=O)c1cnc(Sc2c(F)c(F)cc(F)c2F)c(C(=O)NCc2ccccn2)c1 ZINC000049088375 JF Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCC(C(N)=O)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000049088842 JF Annotated Anodyne Cc1cccc(Nc2nc(N3CCNCC3)nc3c(C)nn(CCOCC(F)(F)F)c23)n1 ZINC000049089039 JF Annotated Anodyne Nc1n[nH]c2nc3scc(-c4cc(Cl)cc(I)c4O)n3c(=O)c12 ZINC000049089061 JF Annotated Anodyne N=c1oc2c(O)cccc2cc1C(=O)NCCCCCNC(=O)c1cc2cccc(O)c2oc1=N ZINC000049089467 JF Annotated Anodyne CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCCC(=O)O)cc2C)ncn1 ZINC000049111980 JF Annotated Anodyne CN(C)c1ccc(-c2nc3c(N4CCN(CC(=O)Nc5nccs5)CC4)c(C#N)cnc3[nH]2)cc1 ZINC000049113223 JF Annotated Mild N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000049113453 JF Annotated Reactive N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000049113455 JF Annotated Reactive CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4C[C@@H]5CC(=O)Nc6cccc4c65)nc3cc1C2 ZINC000049114943 JF Annotated Anodyne CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4C[C@H]5CC(=O)Nc6cccc4c65)nc3cc1C2 ZINC000049114947 JF Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCC[C@H](C(N)=O)C3)nc(Nc3cc(C)ccn3)c21 ZINC000049126233 JF Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCC[C@@H](C(N)=O)C3)nc(Nc3cc(C)ccn3)c21 ZINC000049126237 JF Annotated Anodyne O=C(COc1cccc(F)c1C(=O)NCCc1ccccc1)N[C@H](CO)Cc1ccccc1 ZINC000049126372 JF Annotated Anodyne Cc1nnc2n(c1=O)N=C(c1ccccc1)[C@]2(C#N)P(=O)(c1ccccc1)c1ccccc1 ZINC000049679660 JF Annotated Reactive Cc1nnc2n(c1=O)N=C(c1ccccc1)[C@@]2(C#N)P(=O)(c1ccccc1)c1ccccc1 ZINC000049679663 JF Annotated Reactive CC1=NN(C(=O)c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000049757505 JF Annotated Clean COc1ccc2oc(=O)c(C(=O)NCc3cn(CCCC[P@](=O)(F)OC)nn3)cc2c1 ZINC000049762156 JF Annotated Reactive COc1ccc2oc(=O)c(C(=O)NCc3cn(CCCC[P@@](=O)(F)OC)nn3)cc2c1 ZINC000049762158 JF Annotated Reactive C=C1CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@H]2C(=C)C[C@@H](O)[C@H]1O ZINC000049780444 JF Annotated Mild CC1(C)SN(Cc2ccccc2)C(=O)[C@@H]1N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H]1Cl ZINC000049783733 JF Annotated Reactive COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@]4(OC)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)C3 ZINC000049783799 JF Annotated Anodyne in-vivo COc1cc2oc3c(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c(OC)cc(OC)c3c(=O)c2cc1OC ZINC000049783957 JF Annotated Bother C=C1CO[C@]2(O)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@](O)(CO)C[C@H](C)C[C@H](C)CC)[C@]13O[C@H]23 ZINC000049784330 JF Annotated Mild C=C1CO[C@]2(O)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@](O)(CO)C[C@H](C)C[C@@H](C)CC)[C@]13O[C@H]23 ZINC000049784331 JF Annotated Mild C=C1CO[C@]2(O)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@](O)(CO)C[C@@H](C)C[C@H](C)CC)[C@]13O[C@H]23 ZINC000049784332 JF Annotated Mild C=C1CO[C@]2(O)[C@H]1C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)[C@](O)(CO)C[C@@H](C)C[C@@H](C)CC)[C@]13O[C@H]23 ZINC000049784333 JF Annotated Mild CC(=O)O[C@H]1[C@H]2[C@H](O[C@H]3OC(=O)/C(=C\C[C@]4(OC(C)=O)CCCC(C)(C)C4)[C@H]32)O[C@@H]1OC(C)=O ZINC000049792651 JF Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@H](O[C@H]3OC(=O)/C(=C\C[C@@]4(OC(C)=O)CCCC(C)(C)C4)[C@H]32)O[C@@H]1OC(C)=O ZINC000049792652 JF Annotated Anodyne COc1ccc(-c2cccc(S(=O)(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 ZINC000049793036 JF Annotated Anodyne C[C@@H]1[C@@H]([C@@H]2O[C@H](O)[C@@]3(C)O[C@@]23C)O[C@@]2(O)C[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@@H]3CC[C@]1(O)[C@]32C ZINC000049793527 JF Annotated Mild C=C1C[C@@H](O)[C@@H](O)/C(C)=C\C[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000049793600 JF Annotated Mild COC(=O)COc1ccc2c(C)cc(=O)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000049799677 JF Annotated Anodyne CC1=C(C)[C@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O ZINC000049802786 JF Annotated Mild COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(C)=C(C(=O)OC)C1[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC000049808558 JF Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H](O)C(C)(C)[C@H]1C[C@@H]3OC(C)=O ZINC000049867535 JF Annotated Mild in-vitro biogenic C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@@H](OC(C)=O)[C@@]1(O)[C@H](/C=C(\C)CC[C@H]2OC(C)=O)OC(=O)[C@@H]1C ZINC000049877928 JF Annotated Mild CN1CCN(c2ccc(-c3cnc4c(c3)N(S(=O)(=O)c3cc(F)ccc3F)CCN4)cn2)CC1 ZINC000049918335 JF Annotated Anodyne O=C(NO)c1c(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc2c1OCO2 ZINC000000589983 JF Annotated Anodyne COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)OC1)C2=O ZINC000000598583 JF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000000600548 JF Annotated Anodyne Cn1cc2c3c1C(=O)C1=C(C3=NCC2)C2(C=C(Br)C(=O)C(Br)=C2)CCN1 ZINC000000602574 JF Annotated Mild COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(N)=O)c(=O)n1CC2 ZINC000000602859 JF Annotated Anodyne investigational N#Cc1ccc(-c2ccc(OC[C@H](CCn3nnc4ccccc4c3=O)C(=O)NO)cc2)cc1 ZINC000000602957 JF Annotated Mild O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 ZINC000000689221 JF Annotated Reactive CC[C@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000755835 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)[C@@H](CC(C)C)C(=O)N2 ZINC000000755914 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)[C@H](CC(C)C)C(=O)N2 ZINC000000755915 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)[C@@H](CC(C)C)C(=O)N2 ZINC000000755916 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)[C@H](CC(C)C)C(=O)N2 ZINC000000755917 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000000755934 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000000755935 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CCc1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000000755936 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CCc1ccccc1)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000000755937 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000755990 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)[C@H](C(C)C)C(=O)N2 ZINC000000756028 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@H](CC(C)C)C(=O)N2 ZINC000000756111 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)[C@@H](C(C)C)C(=O)N2 ZINC000000756146 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)[C@H](C(C)C)C(=O)N2 ZINC000000756147 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)[C@@H](C(C)C)C(=O)N2 ZINC000000756148 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)[C@H](C(C)C)C(=O)N2 ZINC000000756149 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000000756183 JF Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758601 JF Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758602 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758603 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758604 JF Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760378 JF Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760379 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760380 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000760381 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000760570 JF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000764887 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000764888 JF Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000764889 JF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=S)NC)CC(C)(C)O2 ZINC000000765358 JF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=S)NC)CC(C)(C)O2 ZINC000000765359 JF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=S)NC)CC(C)(C)O2 ZINC000000765360 JF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=S)NC)CC(C)(C)O2 ZINC000000765361 JF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(C)=O)CC(C)(C)O2 ZINC000000765362 JF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(C)=O)CC(C)(C)O2 ZINC000000765363 JF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(C)=O)CC(C)(C)O2 ZINC000000765364 JF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(C)=O)CC(C)(C)O2 ZINC000000765365 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000765375 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000765376 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000765379 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000765380 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000765387 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000765388 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000765389 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000765390 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000765395 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000765396 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000765397 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000765398 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000765506 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000765507 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000765508 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000765509 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000765564 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000765565 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000765566 JF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000765567 JF Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000000766927 JF Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000000766928 JF Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000766959 JF Annotated Bother O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000766961 JF Annotated Bother COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1OC ZINC000000767106 JF Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000767364 JF Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000767366 JF Annotated Bother COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1OC ZINC000000767642 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000768029 JF Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000768218 JF Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000000768219 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CO)cc1OC ZINC000000768451 JF Annotated Anodyne O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000000768713 JF Annotated Bother O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000000768715 JF Annotated Bother CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000000769356 JF Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000000769357 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000000769373 JF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769386 JF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769387 JF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000769397 JF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN2CCOCC2)c1 ZINC000000769448 JF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCN2CCOCC2)c1 ZINC000000769449 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000000769499 JF Annotated Bother CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000000769566 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000000769588 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1OC ZINC000000769590 JF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000000769602 JF Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000769620 JF Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000000769622 JF Annotated Bother CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000000769698 JF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769790 JF Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769792 JF Annotated Bother COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000770323 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000000770415 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)CC ZINC000000770416 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)CC ZINC000000770422 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CCOCC1 ZINC000000770820 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CCOCC1 ZINC000000770822 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770994 JF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770995 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCC(C)(C)CO ZINC000000770996 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000770997 JF Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000771907 JF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772001 JF Annotated Bother O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000000772188 JF Annotated Bother O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000000772190 JF Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000000773035 JF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000773074 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000773076 JF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000000773110 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000000773175 JF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000773213 JF Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000774452 JF Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000774453 JF Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)cc1OC ZINC000000776289 JF Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)cc1OC ZINC000000776290 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777282 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777283 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777284 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777285 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777300 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777301 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777302 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777303 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000000777360 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777371 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777389 JF Annotated Anodyne CC(C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777396 JF Annotated Anodyne CC(C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777397 JF Annotated Anodyne CC(C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777398 JF Annotated Anodyne CC(C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000777399 JF Annotated Anodyne CC(C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777418 JF Annotated Anodyne CC(C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777419 JF Annotated Anodyne CC(C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](CCc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777420 JF Annotated Anodyne CC(C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](CCc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000777421 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000000777433 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3cnccn3)C2)c1 ZINC000000785898 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3cnccn3)C2)c1 ZINC000000785901 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3cnccn3)C2)c1 ZINC000000785902 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3cnccn3)C2)c1 ZINC000000785904 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000000786060 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000000786087 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000786295 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1)C2=O ZINC000000786682 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C(C)C)N([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786759 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C(C)C)N([C@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786762 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C(C)C)N([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786764 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C(C)C)N([C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1)C2=O ZINC000000786766 JF Annotated Anodyne C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H]1CC=CCC1 ZINC000000786947 JF Annotated Anodyne C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000787102 JF Annotated Anodyne C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000787103 JF Annotated Anodyne C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000787104 JF Annotated Anodyne C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000787105 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787112 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787113 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787114 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787115 JF Annotated Anodyne C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000787146 JF Annotated Anodyne C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000787148 JF Annotated Anodyne C[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](CCc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000787150 JF Annotated Anodyne C[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](CCc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000000787152 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787249 JF Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000787371 JF Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000787373 JF Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000787375 JF Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000000787377 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787388 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787389 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787391 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000000787393 JF Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000787549 JF Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000787550 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000787552 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000787553 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(C)=O)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000787554 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(C)=O)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000787555 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(C)=O)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000787557 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(C)=O)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000787559 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000000787816 JF Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000790500 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000000790822 JF Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1OC ZINC000000790914 JF Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1OC ZINC000000790915 JF Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1OC ZINC000000790916 JF Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c1OC ZINC000000790917 JF Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c(OC)c1 ZINC000000790930 JF Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c(OC)c1 ZINC000000790931 JF Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c(OC)c1 ZINC000000790933 JF Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cnccn2)c(OC)c1 ZINC000000790934 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000000790948 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000792314 JF Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(C(F)(F)F)c21 ZINC000000836917 JF Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NNC(=O)c1ccccc1O ZINC000000924458 JF Annotated Reactive CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925855 JF Annotated Anodyne COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1OC ZINC000000934220 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000005202146 JF Annotated Mild Cc1ccc(C(=O)OC[C@H]2O[C@@H]3[C@H](Oc4c(C)c(=O)ncn43)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000005223227 JF Annotated Anodyne Cc1ccc(C(=O)OC[C@H]2O[C@@H]3[C@H](Oc4c(C)c(=O)ncn43)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000005223246 JF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@@H]12)[C@@H](OC(=O)[C@@H](C)CC)[C@H]1O[C@@]31C ZINC000523041972 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@@H]12)[C@@H](OC(=O)[C@H](C)CC)[C@H]1O[C@@]31C ZINC000523041973 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@@H](OC(=O)[C@]4(C)O[C@H]4C)[C@@H]12)[C@@H](OC(=O)[C@H](C)CC)[C@H]1O[C@@]31C ZINC000523041975 JF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@@H](OC(=O)[C@]4(C)O[C@H]4C)[C@@H]12)[C@@H](OC(=O)[C@@H](C)CC)[C@H]1O[C@@]31C ZINC000523041976 JF Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@]2(OC(C)=O)O[C@]1(C)CCC1=C(COC(C)=O)C(=O)O[C@@H]1/C=C/2C ZINC000523041985 JF Annotated Anodyne COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1 ZINC000052541673 JF Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(/N=N/C(=O)OCc4ccccc4)c(C)c(O)c3N1C[C@@H]1N[C@@H]12 ZINC000053151223 JF Annotated Clean CC/C(=N\c1ccc2nc(N3CCN(C)CC3)c(N3CCN(C)CC3)nc2c1)N(CC)CC ZINC000053151338 JF Annotated Mild O=C1CSc2nnc(-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)n2N1 ZINC000053230169 JF Annotated Anodyne N#CC1=C(NCC(=O)N2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053230526 JF Annotated Reactive N#CC1=C(NCC(=O)N2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053230528 JF Annotated Reactive N#CC1=C(NCC(=O)N2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053230529 JF Annotated Reactive N#CC1=C(NCC(=O)N2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053230532 JF Annotated Reactive CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)c2ccccc21 ZINC000053243012 JF Annotated Reactive CCCN1CCN(c2nc3ccc(/N=C/N(C)C)cc3nc2N2CCN(CCC)CC2)CC1 ZINC000053257417 JF Annotated Mild CC(=O)c1cc(C(=O)N2CC[C@@H](O)C2)c(Nc2ccc(I)cc2F)n1C ZINC000053276505 JF Annotated Anodyne N#CC1=C(NCN2CCOCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053293859 JF Annotated Reactive N#CC1=C(NCN2CCOCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053293862 JF Annotated Reactive N#CC1=C(NCN2CCOCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053293865 JF Annotated Reactive N#CC1=C(NCN2CCOCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053293868 JF Annotated Reactive O=C(CN1[C@@H](O)C(NCCc2ccccn2)=NC[C@H]1Cl)NCc1csc2ccc(Cl)cc12 ZINC000053683847 JF Annotated Reactive in-vivo C[C@H](O)[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)O[C@@]4(O)[C@@H](C(=O)O[C@@H](C)[C@H]4C)[C@@H]3C2=CO1 ZINC000535360649 JF Annotated Mild C[C@H](O)[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)O[C@@]4(O)[C@@H](C(=O)O[C@@H](C)[C@H]4C)[C@H]3C2=CO1 ZINC000535360655 JF Annotated Mild C[C@H](O)[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)O[C@]4(O)[C@H](C)[C@H](C)OC(=O)[C@@H]4[C@@H]3C2=CO1 ZINC000535360656 JF Annotated Mild C[C@H](O)[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)O[C@]4(O)[C@H](C)[C@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1 ZINC000535360657 JF Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@@H]2COS(=O)(=O)O)ccc1O ZINC000535384627 JF Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2COS(=O)(=O)O)ccc1O ZINC000535384628 JF Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2COS(=O)(=O)O)ccc1O ZINC000535384629 JF Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@@H]2COS(=O)(=O)O)ccc1O ZINC000535384630 JF Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Br)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@@H]2N1C(=O)OC ZINC000005536817 JF Annotated Anodyne Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4c([N+](=O)[O-])ncn4C)c3nc12 ZINC000005543442 JF Annotated Clean CN(C)/C=N/S(=O)(=O)c1nn2c(C=O)c(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc2s1 ZINC000005544039 JF Annotated Mild CCOC(=O)n1cncc1C[C@@H](NC(=O)Cc1c(C(=O)C=C(C)C)[nH]c2ccccc12)C(=O)OC ZINC000005544701 JF Annotated Mild C[C@H]1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2S)=NN1 ZINC000005579335 JF Annotated Anodyne NN/C(=N/S(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)Nc1ccc(Cl)cc1 ZINC000005579356 JF Annotated Mild CN(C)c1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=S)NC3=O)cc1 ZINC000005597042 JF Annotated Anodyne CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(NC(=O)NCCC[N+](C)(C)C)[n+]3C)cc1 ZINC000005597211 JF Annotated Clean c1cc(N(CCn2cccn2)CCn2cccn2)cc(N(CCn2cccn2)CCn2cccn2)c1 ZINC000005615900 JF Annotated Anodyne COc1cc(OC)c([C@@H]2OC(=O)[C@H]3[C@@H]2C(=O)O[C@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000005808591 JF Annotated Anodyne COc1cc(OC)c([C@@H]2OC(=O)[C@@H]3[C@@H]2C(=O)O[C@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000005808593 JF Annotated Anodyne COc1cc(OC)c([C@@H]2OC(=O)[C@H]3[C@H](c4cc(OC)c(OC)cc4OC)OC(=O)[C@@H]23)cc1OC ZINC000005808596 JF Annotated Anodyne COc1cc([C@@H]2C(C(=O)O)=C(COC(C)=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O ZINC000005809271 JF Annotated Anodyne CC(C)(C)c1cc(C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1O ZINC000005809272 JF Annotated Anodyne N#C[C@@H](/C(=N/NC(=N)N)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000005810127 JF Annotated Mild CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c2c1C[C@H]1C(=O)[C@@]3(CCc4ccccc43)C(=O)[C@@H]1C2 ZINC000005811810 JF Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c2c1C[C@H]1C(=O)[C@@]3(CCc4ccccc43)C(=O)[C@H]1C2 ZINC000005811813 JF Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c2c1C[C@@H]1C(=O)[C@@]3(CCc4ccccc43)C(=O)[C@H]1C2 ZINC000005811814 JF Annotated Anodyne O=C(Nc1ccccc1C(=O)NCCCO)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 ZINC000005835279 JF Annotated Anodyne COC(=O)C1=C(C(=O)OC)SC(=CC#CC=C2SC(C(=O)OC)=C(C(=O)OC)S2)S1 ZINC000005839536 JF Annotated Mild NCCCCNCCCNC(=O)c1nc(-c2nc(CCN)sc2Cl)sc1Cl ZINC000005848091 JF Annotated Anodyne COc1cc(C(=O)C/C(CCC(=O)Nc2ccc(Cl)cc2Cl)=N/NC(=O)C(N)=O)ccc1O ZINC000005889196 JF Annotated Reactive N#CCC(=O)N/N=C(\C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CN(c2ccccc2)N=C1N ZINC000005891364 JF Annotated Reactive OC[C@@H](O)[C@H](O)[C@@H](O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000005892615 JF Annotated Anodyne Cc1oc2nc1C(=O)NCc1nc(cs1)C(=O)N[C@H](C(C)C)c1nc(cs1)C(=O)N[C@H]2C ZINC000005922308 JF Annotated Anodyne in-vitro COC(=O)[C@@H]1CCC(=O)N1C(c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000005922941 JF Annotated Anodyne COc1cc(C(c2cc(OC)c(OC)c(OC)c2)N2C(=O)CC[C@H]2C(=O)O)cc(OC)c1OC ZINC000005922943 JF Annotated Anodyne C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CCc3cn(S(=O)(=O)C(F)(F)F)c4ccccc34)C[C@H]12 ZINC000005923609 JF Annotated Anodyne C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@@H]3CN(S(=O)(=O)C(F)(F)F)c4ccccc43)C[C@H]12 ZINC000005923652 JF Annotated Anodyne C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@H]3CN(S(=O)(=O)C(F)(F)F)c4ccccc43)C[C@H]12 ZINC000005923654 JF Annotated Anodyne Nc1c2cc3ccc2nc2ccc(cc12)OCCOCCOCCOCCOCCOCCO3 ZINC000005940213 JF Annotated Clean N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000055805347 JF Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000055805348 JF Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)ccc1O ZINC000055805349 JF Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)ccc1O ZINC000055805350 JF Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000055837536 JF Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000055837541 JF Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000055837542 JF Annotated Reactive CCN1CCC[C@H](n2cc(S(=O)(=O)C3=[N+]4C=CS[C@@H]4N[C-]3Cl)c3cccnc32)C1 ZINC000055869821 JF Annotated Anodyne CCN1CCC[C@@H](n2cc(S(=O)(=O)C3=[N+]4C=CS[C@@H]4N[C-]3Cl)c3cccnc32)C1 ZINC000055869822 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@@H]32)(OC)OO1 ZINC000058492044 JF Annotated Reactive CCN[C@H]1CN(c2nc(N3CCc4ccccc4C3)nc(N3CCc4ccccc4C3)n2)CCO1 ZINC000058494151 JF Annotated Anodyne COc1cc(OC)c(-c2ccc(C#CCO)s2)cc1C(=O)NS(=O)(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC000584904685 JF Annotated Mild COc1cccc(S(=O)(=O)NC(=O)c2cc(-c3ccc(C#CCO)s3)c(OC)cc2OC)c1 ZINC000584904702 JF Annotated Mild CC(C)Oc1c(NC(=O)c2csc3c(O)ncnc23)cccc1C(=O)N1CCN(C)CC1 ZINC000584904745 JF Annotated Anodyne CN(C)[C@H]1CN([C@H]2CCc3cccc(F)c32)C[C@@H]1c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000584904831 JF Annotated Anodyne O=C(N[C@@H]1CCC[C@H](Nc2nc(-c3c(CO)[nH]c4ncc(F)cc34)ncc2F)C1)N1CCCC1 ZINC000584905124 JF Annotated Anodyne NCCC(=O)N1Cc2ccccc2-c2c(nnn2-c2ccc(C[C@H](N)C(=O)O)cc2)-c2ccccc21 ZINC000584905260 JF Annotated Anodyne C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ccc4nnc(Cl)n4n3)CC2)cc1 ZINC000584905540 JF Annotated Anodyne CC/C(O)=C1\SC(CCO[P@](=O)(O)OP(=O)(O)O)=C(C)N1Cc1cnc(C)nc1N ZINC000584905693 JF Annotated Anodyne CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O ZINC000584905783 JF Annotated Mild CCNC(=S)N/N=C/c1nc2ccc(I)cc2c(=O)n1-c1ccccc1 ZINC000058502162 JF Annotated Mild CCOC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000058506371 JF Annotated Mild CCNC(=S)N/N=C/c1nc2ccc(I)cc2c(=O)n1-c1ccc(F)cc1 ZINC000058506432 JF Annotated Mild O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1C1CCOCC1 ZINC000058523471 JF Annotated Anodyne NCCCN(CCCN1CCN(CCC/N=C2\C=CN[C@@H]3C=C(Cl)C=C[C@@H]23)CC1)CC1CC1 ZINC000058543070 JF Annotated Mild COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 ZINC000058554823 JF Annotated Mild Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000058569138 JF Annotated Anodyne Cc1nn(-c2ccccc2)nc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Br ZINC000058575088 JF Annotated Reactive CC(C)CN(NC(=O)c1cc2cc(OCCN3CCNCC3)ccc2o1)c1nc(C#N)ncc1Cl ZINC000058575144 JF Annotated Reactive C[C@]12CN(c3ncccn3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000058575413 JF Annotated Mild c1ccc(Cn2nnnc2[C@@H](c2ccc(-n3cncn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000058575644 JF Annotated Anodyne CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(C)=O)C[C@]1(C)CN ZINC000058582201 JF Annotated Mild CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(C)=O)C[C@@]1(C)CN ZINC000058582204 JF Annotated Mild Cn1nnc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCN(C4CCC4)CC3)ccc21 ZINC000058583105 JF Annotated Anodyne CO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O ZINC000058583236 JF Annotated Mild CC(=O)Oc1ccccc1C(=O)OCN1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)S1(=O)=O ZINC000058583614 JF Annotated Anodyne COc1cc(/C=c2/c(=O)n([C@@H](C)c3ccc(F)cc3)c3n2CCCN=3)ccc1-n1cnc(C)c1 ZINC000058583732 JF Annotated Anodyne CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C[C@@]1(C)CN ZINC000058592227 JF Annotated Mild O=C(Nc1ccc(Cl)cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058592265 JF Annotated Anodyne Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000058592452 JF Annotated Anodyne C[C@]12CN(c3cccc(C(N)=O)c3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000058602845 JF Annotated Mild O=C(CN1CCCN(Cc2ccccc2Br)CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000058603531 JF Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@H](C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N)C[C@H](C)O1 ZINC000058648641 JF Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)[C@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1C ZINC000058649912 JF Annotated Anodyne CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@H](=O)O ZINC000058660945 JF Annotated Mild COC(=O)[C@]12CN(C)C[C@](C(=O)OC)(C1=O)[C@H](c1ccccc1F)N(C)[C@H]2c1ccccc1F ZINC000058662786 JF Annotated Anodyne CCN(C1CCCCC1)[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1CCOC1CCN(C(=N)N)CC1 ZINC000058668760 JF Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000586900348 JF Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000586900826 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4CC(=O)OC4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586906193 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4CC(=O)OC4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586906194 JF Annotated Anodyne O=C(c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586911447 JF Annotated Mild O=C(c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586911448 JF Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@H](O)C3CCOCC3)nc12 ZINC000586913452 JF Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@H](O)C3CCOCC3)nc12 ZINC000586913455 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4CCOC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586913497 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4CCOC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586913501 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4=COCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586913549 JF Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(O)CCOCC3)nc12 ZINC000586914144 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](O)C4CCOCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586915130 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](O)C4CCOCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586915132 JF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586917217 JF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586917221 JF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586917224 JF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586917227 JF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586920330 JF Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586922932 JF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C(=O)OC)c(OC)c4[nH]3)c2)o1 ZINC000586922964 JF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OC)c(C(=O)OC)cc4[nH]3)c2)o1 ZINC000586923225 JF Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586923398 JF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)o1 ZINC000586923457 JF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c2)o1 ZINC000586923793 JF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586923799 JF Annotated Anodyne COC(=O)c1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1OC ZINC000586924323 JF Annotated Unstable CC1=C(c2ccc3nc(-c4cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c4)[nH]c3c2)NNC(=O)C1 ZINC000586924547 JF Annotated Bother COc1cc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924620 JF Annotated Unstable CCS(=O)(=O)c1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1 ZINC000586924791 JF Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)CC1 ZINC000586924915 JF Annotated Anodyne CS(=O)(=O)/C=C/c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586925336 JF Annotated Anodyne CS(=O)(=O)/C=C\c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586925342 JF Annotated Anodyne COc1cc(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925468 JF Annotated Unstable COC(=O)c1cc2[nH]c(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)nc2cc1OC ZINC000586925598 JF Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cnnc(O)c3[nH]2)CC1 ZINC000586925627 JF Annotated Anodyne COc1cc(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925731 JF Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3nc(C#N)c(C#N)nc3[nH]2)CC1 ZINC000586927327 JF Annotated Mild CN(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928527 JF Annotated Mild CN(Cc1nc2ccc(I)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928558 JF Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1Cl ZINC000586928664 JF Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586928758 JF Annotated Mild CN(Cc1nc2c(I)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929015 JF Annotated Mild NS(=O)(=O)c1ccc(CCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586929166 JF Annotated Anodyne CN(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929290 JF Annotated Mild CN(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929309 JF Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 ZINC000586929503 JF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2c1 ZINC000586929536 JF Annotated Anodyne CN(Cc1nc2c(Br)cnc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929574 JF Annotated Anodyne CN(Cc1nc2cccc(I)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929700 JF Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 ZINC000586929772 JF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 ZINC000586929866 JF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586930123 JF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1 ZINC000586930501 JF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1 ZINC000586930766 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)o1 ZINC000586930911 JF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 ZINC000586930957 JF Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000586931003 JF Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000586931042 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(I)cc3[nH]2)cc1 ZINC000586931436 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586931491 JF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586931708 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)o1 ZINC000586931820 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(I)c3[nH]2)cc1 ZINC000586932257 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccc(F)c4[nH]3)cccc12 ZINC000586933976 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccc(F)c4[nH]3)cccc12 ZINC000586933977 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4c(Cl)ccnc4[nH]3)cccc12 ZINC000586933984 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4c(Cl)ccnc4[nH]3)cccc12 ZINC000586933985 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(Cl)cnc4[nH]3)cccc12 ZINC000586934039 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(Cl)cnc4[nH]3)cccc12 ZINC000586934041 JF Annotated Anodyne COc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1F ZINC000586934079 JF Annotated Anodyne COc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1F ZINC000586934081 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4c(F)cnc(Cl)c4[nH]3)cccc12 ZINC000586934200 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4c(F)cnc(Cl)c4[nH]3)cccc12 ZINC000586934201 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@@H](C)O)cc1 ZINC000586934328 JF Annotated Clean COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@@H](C)O)cc1 ZINC000586934329 JF Annotated Clean COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@H](C)O)cc1 ZINC000586934330 JF Annotated Clean COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@H](C)O)cc1 ZINC000586934331 JF Annotated Clean CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccc(C#N)c4[nH]3)cccc12 ZINC000586934350 JF Annotated Mild CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccc(C#N)c4[nH]3)cccc12 ZINC000586934351 JF Annotated Mild Cc1cc2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] ZINC000586934410 JF Annotated Bother Cc1cc2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] ZINC000586934411 JF Annotated Bother CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586934436 JF Annotated Bother CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586934437 JF Annotated Bother CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586934442 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586934443 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586934454 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586934455 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586934462 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586934463 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000586934464 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000586934465 JF Annotated Anodyne Cc1cccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586934545 JF Annotated Anodyne Cc1cccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586934549 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586934723 JF Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cncc(Cl)c4[nH]3)cccc12 ZINC000586934724 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cncc(Cl)c4[nH]3)cccc12 ZINC000586934725 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586934728 JF Annotated Bother CC(=O)c1ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586934764 JF Annotated Anodyne CC(=O)c1ccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586934765 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1 ZINC000586934781 JF Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1 ZINC000586934784 JF Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1 ZINC000586934785 JF Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1 ZINC000586934786 JF Annotated Bother Cc1ccnc2[nH]c([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 ZINC000586934819 JF Annotated Anodyne Cc1ccnc2[nH]c([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 ZINC000586934822 JF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586934896 JF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586934905 JF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586935004 JF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(I)c3[nH]2)c1 ZINC000586935038 JF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586935125 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccnc(Cl)c4[nH]3)cccc12 ZINC000586935184 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccnc(Cl)c4[nH]3)cccc12 ZINC000586935185 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(F)cc(F)c4[nH]3)cccc12 ZINC000586935209 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(F)cc(F)c4[nH]3)cccc12 ZINC000586935213 JF Annotated Anodyne Cc1nccc2[nH]c([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 ZINC000586935276 JF Annotated Anodyne Cc1nccc2[nH]c([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc12 ZINC000586935277 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586935321 JF Annotated Mild CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586935328 JF Annotated Mild Cc1cnc2[nH]c([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 ZINC000586935347 JF Annotated Anodyne Cc1cnc2[nH]c([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 ZINC000586935348 JF Annotated Anodyne CCCOc1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cc1Br ZINC000586935429 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(Cl)nc(C#N)c4[nH]3)cccc12 ZINC000586935535 JF Annotated Mild CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(Cl)nc(C#N)c4[nH]3)cccc12 ZINC000586935537 JF Annotated Mild CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)C(C)C)cc1 ZINC000586935658 JF Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)C(C)C)cc1 ZINC000586935661 JF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586935679 JF Annotated Anodyne COc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1OC ZINC000586935756 JF Annotated Anodyne COc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1OC ZINC000586935759 JF Annotated Anodyne COc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1F ZINC000586935876 JF Annotated Anodyne COc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1F ZINC000586935879 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586936214 JF Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586936218 JF Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586936220 JF Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586936221 JF Annotated Mild CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(F)cc(C(=O)O)c4[nH]3)cccc12 ZINC000586936235 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(F)cc(C(=O)O)c4[nH]3)cccc12 ZINC000586936238 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000586936292 JF Annotated Mild CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000586936293 JF Annotated Mild CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586936335 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586936336 JF Annotated Anodyne CC(=O)c1ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586936603 JF Annotated Anodyne CC(=O)c1ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586936604 JF Annotated Anodyne COc1ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586936629 JF Annotated Anodyne COc1ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586936631 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1 ZINC000586936697 JF Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(Cl)nc4[nH]3)cccc12 ZINC000586936698 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1 ZINC000586936699 JF Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1 ZINC000586936700 JF Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(Cl)nc4[nH]3)cccc12 ZINC000586936701 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1 ZINC000586936702 JF Annotated Bother COC(=O)c1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586936777 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586936789 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586936805 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586936824 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586936826 JF Annotated Anodyne COc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1C ZINC000586936860 JF Annotated Anodyne COc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1C ZINC000586936873 JF Annotated Anodyne Cc1ccc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2n1 ZINC000586936948 JF Annotated Anodyne Cc1ccc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2n1 ZINC000586936950 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586936962 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586936964 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586936975 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586936978 JF Annotated Anodyne COc1cccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586937088 JF Annotated Anodyne COc1cccc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586937090 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(F)c(F)c4[nH]3)cccc12 ZINC000586937132 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(F)c(F)c4[nH]3)cccc12 ZINC000586937133 JF Annotated Anodyne CC(C)COc1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cc1Br ZINC000586937139 JF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586937152 JF Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cc1Br ZINC000586937177 JF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586937246 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(F)c(F)cc4[nH]3)cccc12 ZINC000586937267 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(F)c(F)cc4[nH]3)cccc12 ZINC000586937269 JF Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C(C)C)cc1 ZINC000586937278 JF Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C(C)C)cc1 ZINC000586937284 JF Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586937360 JF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586937481 JF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586937494 JF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586937560 JF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586937566 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C#N)cc(Br)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937750 JF Annotated Mild COc1cc(OC)c2[nH]c([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 ZINC000586937755 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C#N)cc(Br)c3[nH]2)[C@H](C)O)cc1 ZINC000586937756 JF Annotated Mild COc1cc(OC)c2[nH]c([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 ZINC000586937757 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C#N)cc(Br)c3[nH]2)[C@H](C)O)cc1 ZINC000586937758 JF Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C#N)cc(Br)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937759 JF Annotated Mild Cc1ccc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586937761 JF Annotated Anodyne Cc1ccc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2c1 ZINC000586937762 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(C#N)cc4[nH]3)cccc12 ZINC000586937820 JF Annotated Mild CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(C#N)cc4[nH]3)cccc12 ZINC000586937822 JF Annotated Mild CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc5cn[nH]c5cc4[nH]3)cccc12 ZINC000586937860 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc5cn[nH]c5cc4[nH]3)cccc12 ZINC000586937861 JF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586937974 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586937983 JF Annotated Anodyne Cc1cncc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586938048 JF Annotated Anodyne Cc1cncc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c12 ZINC000586938051 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586938151 JF Annotated Bother CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586938153 JF Annotated Bother COc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1OC ZINC000586938154 JF Annotated Anodyne COc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1OC ZINC000586938157 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(F)cnc4[nH]3)cccc12 ZINC000586938210 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(F)cnc4[nH]3)cccc12 ZINC000586938212 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc([N+](=O)[O-])cc4[nH]3)cccc12 ZINC000586938235 JF Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc([N+](=O)[O-])cc4[nH]3)cccc12 ZINC000586938238 JF Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(Cl)ncc4[nH]3)cccc12 ZINC000586938277 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(Cl)ncc4[nH]3)cccc12 ZINC000586938279 JF Annotated Anodyne Cc1cc2[nH]c([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2cc1[N+](=O)[O-] ZINC000586938315 JF Annotated Bother Cc1cc2[nH]c([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2cc1[N+](=O)[O-] ZINC000586938316 JF Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(C(=O)O)c(F)cc4[nH]3)cccc12 ZINC000586938356 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(C(=O)O)c(F)cc4[nH]3)cccc12 ZINC000586938357 JF Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586938604 JF Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586938606 JF Annotated Anodyne Cc1cc2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c(C)n1 ZINC000586938618 JF Annotated Anodyne Cc1cc2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c(C)n1 ZINC000586938625 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586938671 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586938673 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H](C)O)cc1 ZINC000586938680 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@H](C)O)cc1 ZINC000586938683 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H](C)O)cc1 ZINC000586938684 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@H](C)O)cc1 ZINC000586938686 JF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586938695 JF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586938696 JF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccc([N+](=O)[O-])c4[nH]3)cccc12 ZINC000586938798 JF Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccc([N+](=O)[O-])c4[nH]3)cccc12 ZINC000586938800 JF Annotated Bother Cc1cc2[nH]c([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c(C)n1 ZINC000586938857 JF Annotated Anodyne Cc1cc2[nH]c([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c(C)n1 ZINC000586938858 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586938902 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586938905 JF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586938908 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586938910 JF Annotated Anodyne COc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1C ZINC000586939025 JF Annotated Anodyne COc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1C ZINC000586939030 JF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c3c2)cc1 ZINC000586939121 JF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c3c2)cc1 ZINC000586939123 JF Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586939156 JF Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586939158 JF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586939400 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586939401 JF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586939413 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586939414 JF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586939737 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586939739 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586939764 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586939765 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586939767 JF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586939768 JF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586939892 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586939893 JF Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586939977 JF Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586940027 JF Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586940243 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586940244 JF Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586940345 JF Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586940444 JF Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000586940493 JF Annotated Mild Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586940597 JF Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586940629 JF Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3cncc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940738 JF Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(I)cnc3[nH]2)cc1 ZINC000586940752 JF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(I)cnc3[nH]2)cc1 ZINC000586940753 JF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1 ZINC000586940772 JF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c1 ZINC000586940773 JF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(F)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940842 JF Annotated Bother Nc1ccc(-c2ccc3nc(CNS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3c2)cc1N ZINC000586940958 JF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941130 JF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(Br)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941140 JF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941167 JF Annotated Bother O=S(=O)(NCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941295 JF Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941307 JF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c21 ZINC000586941369 JF Annotated Clean CCOC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000586941442 JF Annotated Bother O=S(=O)(NCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941599 JF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941653 JF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(Br)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586941659 JF Annotated Bother O=S(=O)(NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941675 JF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1[N+](=O)[O-] ZINC000586941699 JF Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586941709 JF Annotated Anodyne CCOC(=O)Cc1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000586941763 JF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1[N+](=O)[O-] ZINC000586941771 JF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586941806 JF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586941869 JF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)ncc3[nH]2)cc1[N+](=O)[O-] ZINC000586941874 JF Annotated Bother O=S(=O)(NCCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Cl)nc1 ZINC000586941883 JF Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586941909 JF Annotated Anodyne O=S(=O)(NCCc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586941934 JF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941967 JF Annotated Bother O=S(=O)(NCCc1nc2nc(Br)c[nH]c-2n1)c1c(Cl)cccc1Cl ZINC000586941985 JF Annotated Anodyne O=S(=O)(NCCc1nc2ccnc(O)c2[nH]1)c1cc(Br)ccc1Br ZINC000586941987 JF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c21 ZINC000586942230 JF Annotated Clean CN1CCN(c2ccc3nc(CNS(=O)(=O)c4ccc(Br)s4)[nH]c3c2)CC1 ZINC000586942308 JF Annotated Anodyne O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1[N+](=O)[O-] ZINC000586942313 JF Annotated Bother Nc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1N ZINC000586942317 JF Annotated Anodyne COC(=O)c1cc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2cc1OC ZINC000586942388 JF Annotated Anodyne O=S(=O)(NCCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942462 JF Annotated Anodyne O=S(=O)(NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(Br)s1 ZINC000586942531 JF Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1OC ZINC000586942536 JF Annotated Anodyne O=S(=O)(NCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Br)s1 ZINC000586942561 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586942618 JF Annotated Anodyne O=S(=O)(NCCc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942851 JF Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942909 JF Annotated Bother CCOC(=O)Cc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942925 JF Annotated Anodyne CC1=C(c2ccc3nc(CNS(=O)(=O)c4ccc(Br)s4)[nH]c3c2)NNC(=O)C1 ZINC000586942947 JF Annotated Anodyne O=S(=O)(NCc1nc2cc(I)cnc2[nH]1)c1ccc(Br)s1 ZINC000586942998 JF Annotated Anodyne O=S(=O)(NCCc1nc2cccc(I)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943136 JF Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586943199 JF Annotated Bother CN(C)CCOc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586943239 JF Annotated Anodyne Nc1ccnc2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc12 ZINC000586943360 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000586943628 JF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586943649 JF Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586943650 JF Annotated Anodyne COc1cncc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586943685 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000586943704 JF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586943734 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000586943821 JF Annotated Anodyne COc1nccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586943833 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000586943843 JF Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cn1 ZINC000586943899 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000586944067 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000586944106 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(CO)cc3[nH]2)c1 ZINC000586944121 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586944130 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(CCO)cc3[nH]2)c1 ZINC000586944144 JF Annotated Anodyne O=C(O)c1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586944157 JF Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(N)nc(Cl)c4[nH]3)cc2)cc1 ZINC000586944454 JF Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586944634 JF Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586944748 JF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586944813 JF Annotated Anodyne N#Cc1cc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2cc1C#N ZINC000586944830 JF Annotated Mild O=C(O)c1cccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 ZINC000586944875 JF Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)cc1 ZINC000586944922 JF Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(S(=O)(=O)NC[C@@H]5CCCO5)ccc4C)[nH]c3c2)NNC(=O)C1 ZINC000586945337 JF Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(S(=O)(=O)NC[C@H]5CCCO5)ccc4C)[nH]c3c2)NNC(=O)C1 ZINC000586945339 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586945346 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586945348 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586945579 JF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586945844 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586945930 JF Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586945936 JF Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000586946178 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000586946181 JF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586946266 JF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(CNS(C)(=O)=O)oc4C)[nH]c3c2)cc1 ZINC000586946319 JF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1 ZINC000586946687 JF Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000586946692 JF Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000586946693 JF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c1OC ZINC000586946921 JF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c1OC ZINC000586946922 JF Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586948337 JF Annotated Reactive CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586948794 JF Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cnnc(O)c3[nH]2)cc1 ZINC000586948855 JF Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(N)ncnc3[nH]2)cc1 ZINC000586949249 JF Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586949397 JF Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586949695 JF Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586949721 JF Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586949772 JF Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cn1 ZINC000586949876 JF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586949917 JF Annotated Anodyne N=c1[nH]c2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc-2c(Cl)[nH]1 ZINC000586950011 JF Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950044 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950372 JF Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2n1 ZINC000586950434 JF Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950612 JF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586950795 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586950800 JF Annotated Anodyne O=S(=O)(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950951 JF Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cn1 ZINC000586951017 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951103 JF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc12 ZINC000586951203 JF Annotated Anodyne O=S(=O)(Cc1nc2nc(Br)c[nH]c-2n1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951307 JF Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951473 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586951550 JF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2n1 ZINC000586951669 JF Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(S(=O)(=O)NC5CC5)ccc4Br)nc3cc2N1 ZINC000586951721 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000586952124 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586952191 JF Annotated Bother Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586952275 JF Annotated Anodyne COC(=O)c1ccc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2n1 ZINC000586952390 JF Annotated Anodyne COc1cncc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586952490 JF Annotated Anodyne COc1ccc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2n1 ZINC000586952516 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586952687 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586952748 JF Annotated Bother COc1nccc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586952893 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586953404 JF Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c[nH]c(=N)[nH]c-5n4)c3c2)cc1 ZINC000586953507 JF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)nc12 ZINC000586953599 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586953650 JF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586953651 JF Annotated Anodyne COc1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2cn1 ZINC000586953706 JF Annotated Anodyne COC(=O)c1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2cn1 ZINC000586953752 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586953795 JF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586954213 JF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000586954340 JF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2N)C1 ZINC000586954417 JF Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2N)C1 ZINC000586954443 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)CC2)cc1 ZINC000586954471 JF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000586954500 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)CC2)cc1 ZINC000586954600 JF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2N)C1 ZINC000586954603 JF Annotated Clean CNS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)CC1 ZINC000586954644 JF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586954760 JF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2N)C1 ZINC000586954806 JF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586954850 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(Cl)cc(F)c4[nH]3)CC2)CC1 ZINC000586954925 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c(Cl)cnc(Cl)c4[nH]3)CC2)CC1 ZINC000586954965 JF Annotated Anodyne Cc1ccc2c(ccc3nc(C4CCN(C(=O)NC5CCN(S(C)(=O)=O)CC5)CC4)[nH]c32)n1 ZINC000586955009 JF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)CC1 ZINC000586955018 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c(Cl)c(Cl)cnc4[nH]3)CC2)CC1 ZINC000586955054 JF Annotated Anodyne NS(=O)(=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586955154 JF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 ZINC000586955188 JF Annotated Anodyne Cc1c(Br)ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586955401 JF Annotated Anodyne Cc1cc(Br)cc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586955431 JF Annotated Anodyne CSc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1 ZINC000586955495 JF Annotated Anodyne Cc1cc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2cc1Br ZINC000586955501 JF Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CC2)cc1 ZINC000586955581 JF Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CC2)cc1 ZINC000586955635 JF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(I)c4[nH]3)c2N)C1 ZINC000586955664 JF Annotated Anodyne Cc1c(Cl)ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586955672 JF Annotated Anodyne CC(C)(C)c1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2n1 ZINC000586955727 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 ZINC000586955731 JF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2N)C1 ZINC000586955732 JF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(I)cc4[nH]3)c2N)C1 ZINC000586955742 JF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 ZINC000586955855 JF Annotated Anodyne CC(C)Oc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1 ZINC000586955895 JF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2N)C1 ZINC000586955966 JF Annotated Bother CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cccc(Br)c4[nH]3)CC2)CC1 ZINC000586956072 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CC1 ZINC000586956090 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(Cl)c(F)c(F)c4[nH]3)CC2)CC1 ZINC000586956110 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)CC2)CC1 ZINC000586956113 JF Annotated Mild Cc1cc(Cl)cc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586956132 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(Br)cc4[nH]3)CC2)CC1 ZINC000586956134 JF Annotated Anodyne Cc1cc(Br)c2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc2c1 ZINC000586956155 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc5c(c4[nH]3)CCCC5)CC2)CC1 ZINC000586956164 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(Cl)c(Cl)nc4[nH]3)CC2)CC1 ZINC000586956169 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cccc(OC(F)(F)F)c4[nH]3)CC2)CC1 ZINC000586956173 JF Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(Cl)nc(Cl)c4[nH]3)CC2)CC1 ZINC000586956218 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586956250 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586956578 JF Annotated Reactive COc1ccc(Cc2nc3cccc(Br)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956619 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586956670 JF Annotated Anodyne COc1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956681 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586956724 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586956755 JF Annotated Mild COc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956761 JF Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1S(=O)(=O)N1CCOCC1 ZINC000586956770 JF Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc12 ZINC000586956776 JF Annotated Anodyne COc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956793 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586956898 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586956924 JF Annotated Anodyne COc1ccc(Cc2nc3cc(Br)c(C)nc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956975 JF Annotated Anodyne COc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957188 JF Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957189 JF Annotated Anodyne COc1cc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2cc1Cl ZINC000586957190 JF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4c(Br)ccnc4[nH]3)c2c1)N1CCOCC1 ZINC000586957202 JF Annotated Anodyne COc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957223 JF Annotated Anodyne COc1ccc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957279 JF Annotated Mild COc1ccc(Cc2nc3ccc(Br)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957281 JF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(Br)ncc4[nH]3)c2c1)N1CCOCC1 ZINC000586957300 JF Annotated Anodyne COc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957302 JF Annotated Anodyne COc1ccc(Cc2nc3c(C)c(Br)cnc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957307 JF Annotated Anodyne COc1ccc(Cc2nc3ccc(Br)c(O)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957339 JF Annotated Anodyne COc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957341 JF Annotated Anodyne COc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957362 JF Annotated Bother Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586957431 JF Annotated Mild CCOC(=O)Cc1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1 ZINC000586957438 JF Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1 ZINC000586957464 JF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000586957757 JF Annotated Mild COC(=O)c1cc2[nH]c(COCCOCCOS(=O)(=O)c3ccc(C)cc3)nc2cc1OC ZINC000586957910 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586957943 JF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586957969 JF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586957972 JF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586958236 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586958287 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586958393 JF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586958684 JF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586958692 JF Annotated Anodyne Cc1cc2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc2cc1[N+](=O)[O-] ZINC000586958733 JF Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586958738 JF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586958741 JF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586958764 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586958821 JF Annotated Mild COC(=O)c1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2c1OC ZINC000586958842 JF Annotated Mild CCOC(=O)Cc1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000586959044 JF Annotated Mild CCOC(=O)c1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1 ZINC000586959349 JF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586959401 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586959534 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000586959538 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586959550 JF Annotated Mild COc1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1OC ZINC000586959612 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 ZINC000586959689 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586959927 JF Annotated Mild COc1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2cc1F ZINC000586959949 JF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2c1)N1CCOCC1 ZINC000586959953 JF Annotated Anodyne COc1cc(OC)c2[nH]c(COCCOCCOS(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000586959962 JF Annotated Mild CCOC(=O)c1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000586960077 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586960089 JF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586960514 JF Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(C[S@](=O)CC4CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586960517 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[S@@](=O)CC4CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586960530 JF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586960559 JF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586960563 JF Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2cc1F ZINC000586960774 JF Annotated Bother NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586961462 JF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586961463 JF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586961466 JF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586961467 JF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2c1)N1CCOCC1 ZINC000586961606 JF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2c1)N1CCOCC1 ZINC000586961633 JF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586961922 JF Annotated Mild NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961944 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961945 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961946 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961947 JF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2c1)N1CCOCC1 ZINC000586962381 JF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2c1)N1CCOCC1 ZINC000586962475 JF Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2c1)N1CCOCC1 ZINC000586962682 JF Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1Cl ZINC000586963311 JF Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1Cl ZINC000586964201 JF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586964686 JF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586965117 JF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)n2C)cc1 ZINC000586965291 JF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586965374 JF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)n2C)cc1 ZINC000586965562 JF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nc(O)cc(O)n4)[nH]c3c2)cc1 ZINC000586966963 JF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586967370 JF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(C#N)c(C#N)nc3[nH]2)C[C@@H](C)O1 ZINC000586969445 JF Annotated Mild C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(C#N)c(C#N)nc3[nH]2)C[C@@H](C)O1 ZINC000586969452 JF Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3nc(C#N)c(C#N)nc3[nH]2)C[C@H](C)O1 ZINC000586969454 JF Annotated Mild Cc1ccc(NC(=O)CSCCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000586970264 JF Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586971950 JF Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586971951 JF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1OC ZINC000586975265 JF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1OC ZINC000586975268 JF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1OC ZINC000586975591 JF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1OC ZINC000586975592 JF Annotated Anodyne NNC(=O)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586976811 JF Annotated Reactive N=c1[nH]c2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc-2c(Cl)[nH]1 ZINC000586977703 JF Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586978171 JF Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586978505 JF Annotated Anodyne N#Cc1nc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2nc1C#N ZINC000586978611 JF Annotated Mild N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586978637 JF Annotated Anodyne O=C(c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586979062 JF Annotated Anodyne Cc1ncc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(C)c1Br ZINC000586979140 JF Annotated Anodyne Cc1c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980342 JF Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586980364 JF Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586980639 JF Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586981961 JF Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 ZINC000586982906 JF Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 ZINC000586983249 JF Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586983292 JF Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586983295 JF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586983965 JF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586984138 JF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984281 JF Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984282 JF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)c1ccc(Br)cc1 ZINC000586986385 JF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)c1ccc(Br)cc1 ZINC000586986387 JF Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000586987942 JF Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000586987943 JF Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000586987944 JF Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O)-c1ccccc1C3=O ZINC000586987945 JF Annotated Anodyne O=C(c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586994877 JF Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996538 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(O)nc(N)nc2[nH]1 ZINC000586997532 JF Annotated Anodyne O=C(c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586999384 JF Annotated Anodyne O=C(c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586999385 JF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2nc(Br)c[nH]c-2n1 ZINC000586999538 JF Annotated Anodyne CS(=O)(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587001794 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587002238 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587002921 JF Annotated Anodyne O=C(c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587002922 JF Annotated Anodyne O=S(=O)(c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1)N1CCOCC1 ZINC000587002939 JF Annotated Anodyne O=C(c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587003415 JF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1)N1CCOCC1 ZINC000587003758 JF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587003923 JF Annotated Anodyne O=C(c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587005746 JF Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587006149 JF Annotated Anodyne O=C(c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587006839 JF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1)N1CCOCC1 ZINC000587006952 JF Annotated Anodyne O=C(c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587007785 JF Annotated Anodyne O=S(=O)(c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1)N1CCOCC1 ZINC000587007915 JF Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587011642 JF Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cs1 ZINC000587014081 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4csc(O)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587018484 JF Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cs1)c1cccs1 ZINC000587018828 JF Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cs1)c1cccs1 ZINC000587019590 JF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cs1 ZINC000587020427 JF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cs1 ZINC000587020472 JF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 ZINC000587023475 JF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587023743 JF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(I)cnc3[nH]2)s1 ZINC000587023822 JF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587023850 JF Annotated Anodyne CC1=C(c2ccc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c3c2)NNC(=O)C1 ZINC000587025182 JF Annotated Anodyne Cc1c(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028850 JF Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(S(N)(=O)=O)c4[nH]3)ccc2s1 ZINC000587032785 JF Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(O)nc(S)nc4[nH]3)ccc2s1 ZINC000587032925 JF Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(=O)NN)cc4[nH]3)ccc2s1 ZINC000587033176 JF Annotated Reactive CCOC(=O)c1cc2cc(NC(=O)COCc3nc4nc(C#N)c(C#N)nc4[nH]3)ccc2s1 ZINC000587033841 JF Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)ccc2s1 ZINC000587034422 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587039098 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2c(Cl)ccnc2[nH]1 ZINC000587039860 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccnc(Cl)c2[nH]1 ZINC000587040001 JF Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nc12 ZINC000587040430 JF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587040667 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cncc(Cl)c2[nH]1 ZINC000587040730 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc(Cl)nc2[nH]1 ZINC000587041163 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(Cl)ncc2[nH]1 ZINC000587041239 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587041245 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(Cl)cnc2[nH]1 ZINC000587041329 JF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587041789 JF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587041790 JF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587042827 JF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587042830 JF Annotated Anodyne COc1ccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2c1 ZINC000587044885 JF Annotated Anodyne Cc1cccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c12 ZINC000587044966 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587045026 JF Annotated Anodyne Cc1cc2[nH]c([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nc2c(C)n1 ZINC000587045064 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc(F)cc2[nH]1 ZINC000587045102 JF Annotated Anodyne CC(=O)c1ccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2c1 ZINC000587045156 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587045216 JF Annotated Anodyne COc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1C ZINC000587045427 JF Annotated Anodyne COc1cccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c12 ZINC000587045788 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cccc(F)c2[nH]1 ZINC000587046014 JF Annotated Anodyne N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587046023 JF Annotated Anodyne Cc1ccc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2c1 ZINC000587046081 JF Annotated Anodyne COc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1F ZINC000587046154 JF Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587053167 JF Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587053168 JF Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587056709 JF Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587056711 JF Annotated Bother Nc1ncc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587060706 JF Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063066 JF Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063101 JF Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587066440 JF Annotated Anodyne Cc1c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073134 JF Annotated Anodyne O=C(c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587076169 JF Annotated Anodyne O=C(c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587076170 JF Annotated Anodyne O=C(c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587077727 JF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587078991 JF Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587078993 JF Annotated Anodyne Cc1onc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079043 JF Annotated Bother N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587079252 JF Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587079253 JF Annotated Anodyne Cc1onc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080464 JF Annotated Bother O=C(CCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587080852 JF Annotated Anodyne Nc1nc(O)c2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2n1 ZINC000587088064 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587089090 JF Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587089528 JF Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3nc(C#N)c(C#N)nc3[nH]2)CC1 ZINC000587091348 JF Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(=O)NN)cc3[nH]2)CC1 ZINC000587091396 JF Annotated Reactive CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(F)(F)F ZINC000587093642 JF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(F)(F)F ZINC000587093643 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107596 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107597 JF Annotated Anodyne O=C(c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1)N1CCN(CCO)CC1 ZINC000587110119 JF Annotated Bother N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587112116 JF Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587114023 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587114177 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587114383 JF Annotated Anodyne O=S(=O)(c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1)N1CCOCC1 ZINC000587116933 JF Annotated Anodyne O=S(=O)(c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1)N1CCOCC1 ZINC000587119294 JF Annotated Anodyne O=S(=O)(c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1)N1CCOCC1 ZINC000587120305 JF Annotated Anodyne O=C(c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587120974 JF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(I)cnc2[nH]1 ZINC000587121069 JF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2N1 ZINC000587122237 JF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2N1 ZINC000587122238 JF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2N1 ZINC000587122239 JF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2N1 ZINC000587122241 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](N)[C@H](C)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587126770 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](N)[C@@H](C)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587126771 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)[C@H](C)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587126772 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)[C@@H](C)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587126773 JF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2ncc(I)cc2[nH]1)C(F)(F)F ZINC000587127082 JF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(F)(F)F ZINC000587127368 JF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587128081 JF Annotated Bother CCS(=O)(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 ZINC000587128622 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cncc([N+](=O)[O-])c5[nH]4)nc3n2)cn1 ZINC000587129041 JF Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc([N+](=O)[O-])cnc5[nH]4)nc3n2)cn1 ZINC000587129044 JF Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(=O)OC)ncc5[nH]4)nc3n2)cn1 ZINC000587129534 JF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587129564 JF Annotated Anodyne CC1=C(c2ccc3nc(Cn4c(=O)cc(C(F)(F)F)c5c(C)nn(C)c54)[nH]c3c2)NNC(=O)C1 ZINC000587129656 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(=O)OC)nc5[nH]4)nc3n2)cn1 ZINC000587129788 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C(N)=O)c5[nH]4)nc3n2)cn1 ZINC000587129790 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(S)nc(S)nc5[nH]4)nc3n2)cn1 ZINC000587129947 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6c(cc5[nH]4)OCC(=O)N6)nc3n2)cn1 ZINC000587130063 JF Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(O)nc(N)nc5[nH]4)c3n2)cnn1C ZINC000587130261 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(C(=O)OC)ccnc5[nH]4)nc3n2)cn1 ZINC000587130311 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(S(=O)(=O)O)cc5[nH]4)nc3n2)cn1 ZINC000587131221 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(-n6cnnn6)cc5[nH]4)nc3n2)cn1 ZINC000587131231 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(=N)N)cc5[nH]4)nc3n2)cn1 ZINC000587131240 JF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C(N)=O)cc5[nH]4)nc3n2)cn1 ZINC000587131379 JF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C(F)(F)C1 ZINC000587131929 JF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C(F)(F)C1 ZINC000587131932 JF Annotated Anodyne O=C(c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587133794 JF Annotated Anodyne O=S(=O)(NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587133882 JF Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134331 JF Annotated Anodyne O=S(=O)(NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(F)c(F)c1F ZINC000587134655 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1F)N1CCOCC1 ZINC000587136138 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1F)N1CCOCC1 ZINC000587136262 JF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587136385 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3c(Cl)ncnc3[nH]2)c1F)N1CCOCC1 ZINC000587136554 JF Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(N)cc1F ZINC000587136830 JF Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136883 JF Annotated Bother O=S(=O)(c1cc(Br)cc(-c2nc3cc(F)cnc3[nH]2)c1F)N1CCOCC1 ZINC000587138877 JF Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587138890 JF Annotated Anodyne Cc1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2n1 ZINC000587138902 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cccc(O)c3[nH]2)c1F)N1CCOCC1 ZINC000587138910 JF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139019 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(O)cc3[nH]2)c1F)N1CCOCC1 ZINC000587139271 JF Annotated Anodyne O=C(O)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139295 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1F)N1CCOCC1 ZINC000587139343 JF Annotated Anodyne COc1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2n1 ZINC000587139374 JF Annotated Anodyne N#Cc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1C#N ZINC000587139383 JF Annotated Mild COc1cncc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587139398 JF Annotated Anodyne COc1nccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587139616 JF Annotated Anodyne O=C(O)c1cccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587139621 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1F)N1CCOCC1 ZINC000587139637 JF Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc12 ZINC000587139641 JF Annotated Anodyne COc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cn1 ZINC000587139648 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1F)N1CCOCC1 ZINC000587139656 JF Annotated Anodyne Cc1nccc2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc12 ZINC000587139658 JF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139859 JF Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 ZINC000587139860 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(CO)cc3[nH]2)c1F)N1CCOCC1 ZINC000587139933 JF Annotated Anodyne Cc1cncc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 ZINC000587140253 JF Annotated Anodyne Cc1cnc2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc2c1 ZINC000587140259 JF Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(CCO)cc3[nH]2)c1F)N1CCOCC1 ZINC000587140287 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587141447 JF Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587142032 JF Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587142168 JF Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144866 JF Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144869 JF Annotated Anodyne Cn1nc(-c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)c(F)c1O ZINC000587154960 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157132 JF Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157414 JF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1)N1CCOCC1 ZINC000587161359 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587168058 JF Annotated Anodyne O=C(c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587168718 JF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169843 JF Annotated Anodyne NNC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172746 JF Annotated Reactive NNC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172747 JF Annotated Reactive CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4nc(C#N)c(C#N)nc4[nH]2)cn3C2CC2)CC1 ZINC000587172896 JF Annotated Mild N#Cc1nc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2nc1C#N ZINC000587172950 JF Annotated Mild N#Cc1nc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2nc1C#N ZINC000587172951 JF Annotated Mild N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(O)nc(O)nc4[nH]2)cn3C2CC2)C1 ZINC000587173647 JF Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(O)nc(O)nc4[nH]2)cn3C2CC2)C1 ZINC000587173648 JF Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cncnc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176463 JF Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ncc[nH]c-5n4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176519 JF Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(N)ccnc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177063 JF Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cnncc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177135 JF Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccnc(N)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177267 JF Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(N)ncc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177310 JF Annotated Anodyne N=c1[nH]cc2nc(-c3ccc(I)c(I)c3)nc-2[nH]1 ZINC000587178356 JF Annotated Anodyne Nc1ncnc2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587178462 JF Annotated Anodyne N=c1[nH]cc2nc(-c3cc(I)ccc3I)nc-2[nH]1 ZINC000587178485 JF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178487 JF Annotated Anodyne N#Cc1nc2nc(-c3cc(I)ccc3I)[nH]c2nc1C#N ZINC000587178530 JF Annotated Mild Oc1nc(O)c2nc(-c3cc(I)ccc3I)[nH]c2n1 ZINC000587178584 JF Annotated Anodyne Oc1nc(O)c2nc(-c3ccc(I)c(I)c3)[nH]c2n1 ZINC000587178717 JF Annotated Anodyne N#Cc1nc2nc(-c3ccc(I)c(I)c3)[nH]c2nc1C#N ZINC000587178908 JF Annotated Mild COc1cc(N)c(I)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587179086 JF Annotated Anodyne Oc1nncc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179335 JF Annotated Anodyne Oc1nncc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179381 JF Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587179415 JF Annotated Anodyne Oc1ncnc2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179457 JF Annotated Anodyne Cn1nc(-c2nc3ccc(I)cc3[nH]2)c(I)c1C(=O)O ZINC000587179627 JF Annotated Anodyne Cn1nc(-c2nc3cccc(I)c3[nH]2)c(I)c1C(=O)O ZINC000587179644 JF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587179650 JF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587179819 JF Annotated Bother Cn1nc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(I)c1C(=O)O ZINC000587179851 JF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c1 ZINC000587180104 JF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)cc(C#N)cc2[nH]1 ZINC000587180130 JF Annotated Mild Cn1nc(C(=O)O)c(I)c1-c1nc2cc(I)ccc2[nH]1 ZINC000587180138 JF Annotated Anodyne Cn1nc(-c2nc3c(F)cnc(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587180170 JF Annotated Anodyne Cn1nc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(I)c1C(=O)O ZINC000587180189 JF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000587180193 JF Annotated Anodyne Cn1nc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(I)c1C(=O)O ZINC000587180196 JF Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587180449 JF Annotated Anodyne Cn1nc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587180503 JF Annotated Mild Cn1nc(C(=O)O)c(I)c1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000587180533 JF Annotated Anodyne Cn1nc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(I)c1C(=O)O ZINC000587180535 JF Annotated Bother Cc1nc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2cc1Br ZINC000587180544 JF Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c1 ZINC000587180686 JF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000587180729 JF Annotated Anodyne Cc1nc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2cc1Br ZINC000587180733 JF Annotated Anodyne Cn1nc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(I)c1C(=O)O ZINC000587180734 JF Annotated Anodyne Cn1nc(-c2nc3ccc(Br)c(O)c3[nH]2)c(I)c1C(=O)O ZINC000587180740 JF Annotated Anodyne Cc1c(Br)cnc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c12 ZINC000587180753 JF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587180757 JF Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nc(O)nc(O)c3I)[nH]c21 ZINC000587181775 JF Annotated Clean Oc1nc(O)c(I)c(-c2nc3ccc(F)c(Br)c3[nH]2)n1 ZINC000587181830 JF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)n1 ZINC000587181845 JF Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4nc(O)nc(O)c4I)[nH]c3c2)cc1N ZINC000587181891 JF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)n1 ZINC000587181893 JF Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587181956 JF Annotated Mild Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587182106 JF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587182107 JF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587182114 JF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(Br)c(F)c3[nH]2)n1 ZINC000587182166 JF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(I)cc3[nH]2)n1 ZINC000587182221 JF Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587182424 JF Annotated Bother Oc1nc(O)c(I)c(-c2nc3cc(Br)cc(F)c3[nH]2)n1 ZINC000587182425 JF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Br)c(F)cc3[nH]2)n1 ZINC000587182454 JF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(F)cc(Br)c3[nH]2)n1 ZINC000587182559 JF Annotated Anodyne O=C(c1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587182695 JF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cccc(I)c3[nH]2)n1 ZINC000587182762 JF Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587183142 JF Annotated Bother CSc1sc(-c2nc3c[nH]c(=N)[nH]c-3n2)c(I)c1S(=O)(=O)C(C)C ZINC000587183320 JF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587183428 JF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587183429 JF Annotated Anodyne CC[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184227 JF Annotated Anodyne CC[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184228 JF Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1I ZINC000587184339 JF Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1I ZINC000587184411 JF Annotated Bother O=C(O)c1nn(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1I ZINC000587184476 JF Annotated Bother CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587184479 JF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587184480 JF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)n1 ZINC000587184580 JF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncc(Br)c(Cl)c3[nH]2)n1 ZINC000587184878 JF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)n1 ZINC000587185388 JF Annotated Bother O=C(O)Cn1cc(I)c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)n1 ZINC000587185409 JF Annotated Bother CC[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185428 JF Annotated Anodyne CC[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185431 JF Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc12 ZINC000587185511 JF Annotated Anodyne Cc1nc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2cc1Br ZINC000587185531 JF Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c1 ZINC000587185549 JF Annotated Mild COC(=O)c1cc(Cl)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 ZINC000587185570 JF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(I)cccc3[nH]2)n1 ZINC000587185798 JF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)n1 ZINC000587185889 JF Annotated Clean COC(=O)c1cc(Cl)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c1 ZINC000587185908 JF Annotated Anodyne O=C(O)c1nn(Cc2nc3cccc(I)c3[nH]2)cc1I ZINC000587186149 JF Annotated Anodyne O=C(O)c1nn(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1I ZINC000587186164 JF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(O)c(Br)ccc3[nH]2)n1 ZINC000587186177 JF Annotated Anodyne O=C(O)c1nn(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1I ZINC000587186195 JF Annotated Anodyne Nc1ccc(-c2ccc3nc(Cn4cc(I)c(C(=O)O)n4)[nH]c3c2)cc1N ZINC000587186198 JF Annotated Anodyne N#Cc1cc(Br)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 ZINC000587186219 JF Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3cc(I)c(C(=O)O)n3)[nH]c21 ZINC000587186220 JF Annotated Clean O=C(O)Cn1cc(I)c(-c2nc3c(Cl)ncc(Br)c3[nH]2)n1 ZINC000587186241 JF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)n1 ZINC000587186311 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587186318 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587186319 JF Annotated Anodyne O=C(O)c1nn(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1I ZINC000587186527 JF Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(I)cc3[nH]2)cc1I ZINC000587186566 JF Annotated Anodyne Cc1c(Br)cnc2nc(-c3nn(CC(=O)O)cc3I)[nH]c12 ZINC000587186596 JF Annotated Anodyne Cc1nc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2cc1Br ZINC000587186606 JF Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(Br)c(O)c3[nH]2)cc1I ZINC000587186615 JF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587187914 JF Annotated Anodyne C=C(CN(C)C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587189947 JF Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H](C)N(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587191546 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H](C)N(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587191553 JF Annotated Anodyne Cc1ccnc2[nH]c(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)nc12 ZINC000587194967 JF Annotated Clean N#Cc1ccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2c1 ZINC000587194996 JF Annotated Mild O=C(O)CN(Cc1nc2cccc(O)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195015 JF Annotated Clean COc1cccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c12 ZINC000587195163 JF Annotated Clean O=C(O)CN(Cc1nc2ccccc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195210 JF Annotated Clean O=C(O)CN(Cc1nc2ccnc(Cl)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195269 JF Annotated Clean Cc1cnc2[nH]c(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)nc2c1 ZINC000587195297 JF Annotated Clean O=C(O)CN(Cc1nc2ccc(O)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195518 JF Annotated Clean Cc1cncc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c12 ZINC000587195700 JF Annotated Clean Cc1nccc2[nH]c(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)nc12 ZINC000587195705 JF Annotated Clean O=C(O)CN(Cc1nc2cc(Cl)cnc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195924 JF Annotated Clean O=C(O)CN(Cc1nc2cncc(Cl)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196036 JF Annotated Clean O=C(O)CN(Cc1nc2ccc(Cl)nc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196283 JF Annotated Clean O=C(O)CN(Cc1nc2cc(Cl)ncc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196322 JF Annotated Clean N#Cc1cccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c12 ZINC000587196440 JF Annotated Mild Cc1ccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2n1 ZINC000587196609 JF Annotated Clean COc1ccc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2c1 ZINC000587196637 JF Annotated Clean O=C(O)CN(Cc1nc2c(Cl)ccnc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196646 JF Annotated Clean O=C(O)CN(Cc1nc2cccc(F)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196799 JF Annotated Clean Cc1cc2[nH]c(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)nc2c(C)n1 ZINC000587196828 JF Annotated Clean O=C(O)CN(Cc1nc2cc3cn[nH]c3cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196889 JF Annotated Clean CC(C)[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198082 JF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587198679 JF Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587201497 JF Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 ZINC000587203856 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(C)(C)C ZINC000587205746 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(C)(C)C ZINC000587205749 JF Annotated Anodyne CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](Cc3cc4c5c(cccc5n3)CC4)[C@@]2(C)[C@@]12CO2 ZINC000587215862 JF Annotated Anodyne CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](c3c(C)nc4cccc5c4c3CC5)[C@@]2(C)[C@@]12CO2 ZINC000587216188 JF Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1Br ZINC000587218111 JF Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1Br ZINC000587218116 JF Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1Br ZINC000587218120 JF Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1Br ZINC000587218122 JF Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1 ZINC000587223670 JF Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1 ZINC000587223671 JF Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587226638 JF Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587227236 JF Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587227270 JF Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587227792 JF Annotated Bother O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587227805 JF Annotated Bother O=C(O)CNCCNCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587228924 JF Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCC(=O)Nc3cccc(C(=O)NCCOC)c3)[nH]c2c1 ZINC000587229767 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587230169 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 ZINC000587230199 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587230579 JF Annotated Anodyne O=C(c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587230719 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587231185 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587231476 JF Annotated Anodyne CCNC(=O)CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587231507 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587231820 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587232106 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587232130 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(I)cnc3[nH]2)c1 ZINC000587232308 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587232559 JF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 ZINC000587232560 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587233242 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587233273 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587235812 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238318 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238322 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238323 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238325 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240833 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240834 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240835 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240836 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4CC[C@@H](N)C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587245873 JF Annotated Anodyne NCCOCCOCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587246814 JF Annotated Anodyne N=c1cc[nH]cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587249077 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4c[nH]ccc4=N)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587249422 JF Annotated Anodyne Nc1cnc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)nc1 ZINC000587252645 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccc(N)nc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587253767 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4cccnc4N)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587254289 JF Annotated Anodyne Nc1ccc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cn1 ZINC000587254827 JF Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](N)C4CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587255377 JF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587256212 JF Annotated Anodyne C=CC[C@@](C)(N)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587257601 JF Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)C(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587258472 JF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587258876 JF Annotated Anodyne NC(=O)c1cc(N2CCC(c3nc4cc(I)cnc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262517 JF Annotated Bother COC(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1OC ZINC000587263097 JF Annotated Bother CN(C)CCOc1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 ZINC000587263188 JF Annotated Bother CC1=C(c2ccc3nc(C4CCN(c5ccc([N+](=O)[O-])c(C(N)=O)c5)CC4)[nH]c3c2)NNC(=O)C1 ZINC000587263398 JF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587264935 JF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587264936 JF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587264937 JF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587264938 JF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587265131 JF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587266284 JF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587266287 JF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587266291 JF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587266294 JF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587266337 JF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587266340 JF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587266342 JF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587266344 JF Annotated Bother CC1=C(c2ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3c2)NNC(=O)C1 ZINC000587266759 JF Annotated Bother CC1=C(c2ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3c2)NNC(=O)C1 ZINC000587266760 JF Annotated Bother CC1=C(c2ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3c2)NNC(=O)C1 ZINC000587266761 JF Annotated Bother CC1=C(c2ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3c2)NNC(=O)C1 ZINC000587266762 JF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(I)cnc2[nH]1 ZINC000587266954 JF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(I)cnc2[nH]1 ZINC000587266955 JF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(I)cnc2[nH]1 ZINC000587266956 JF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(I)cnc2[nH]1 ZINC000587266958 JF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587267056 JF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587267059 JF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587267060 JF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587267062 JF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587267181 JF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587267183 JF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587267185 JF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587267187 JF Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 ZINC000587268675 JF Annotated Bother N[C@@H](CCc1nc2cccc(I)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269574 JF Annotated Bother N[C@@H](CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269925 JF Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1 ZINC000587269960 JF Annotated Bother O=C(c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587270131 JF Annotated Bother N[C@@H](CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270810 JF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587271083 JF Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587271757 JF Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587272719 JF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587272791 JF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587273493 JF Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587274023 JF Annotated Bother COc1cc2nc(C(=O)c3c(CO)oc4cc(Br)cnc34)c(=O)n(C)c2cc1OC ZINC000587275825 JF Annotated Anodyne Nc1c(O)cccc1[C@]1(C[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340262 JF Annotated Anodyne Nc1c(O)cccc1[C@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340267 JF Annotated Anodyne Nc1c(O)cccc1[C@]1(C[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340271 JF Annotated Anodyne Nc1c(O)cccc1[C@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340275 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342298 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342300 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342303 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342307 JF Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(N3CCOCC3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587342636 JF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(N3CCOCC3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587342639 JF Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(N3CCOCC3)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587342640 JF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(N3CCOCC3)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587342641 JF Annotated Anodyne Cn1c(=O)c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)n(C)c2n(C)c1=O ZINC000587342692 JF Annotated Anodyne Cn1c(=O)c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)n(C)c2n(C)c1=O ZINC000587342697 JF Annotated Anodyne Cn1c(=O)c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)n(C)c2n(C)c1=O ZINC000587342700 JF Annotated Anodyne Cn1c(=O)c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)n(C)c2n(C)c1=O ZINC000587342702 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342879 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342881 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342882 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342884 JF Annotated Anodyne COC(=O)c1nnn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C(=O)OC ZINC000587343220 JF Annotated Anodyne COC(=O)c1nnn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C(=O)OC ZINC000587343225 JF Annotated Anodyne COC(=O)c1nnn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C(=O)OC ZINC000587343228 JF Annotated Anodyne COC(=O)c1nnn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C(=O)OC ZINC000587343231 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345545 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345548 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345551 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345554 JF Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347568 JF Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C(=O)OC)CC1=O ZINC000587347570 JF Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C(=O)OC)CC1=O ZINC000587347571 JF Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347573 JF Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587354816 JF Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587354828 JF Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587354831 JF Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587354837 JF Annotated Anodyne COc1cccc(-c2cc(-c3nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]3)nc3c2oc2ccccc23)c1 ZINC000587362419 JF Annotated Anodyne COc1cccc(-c2cc([C@@](O)([C@@H](C)O)[C@](O)(C(C)=O)C(=O)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587365027 JF Annotated Clean COc1cccc(-c2cc(C(=O)[C@@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@@H](C)O)nc3c2oc2ccccc23)c1 ZINC000587365038 JF Annotated Anodyne COc1cccc(-c2cc([C@](O)(C(=O)C(C)=O)[C@@](O)(C(C)=O)[C@@H](C)O)nc3c2oc2ccccc23)c1 ZINC000587366165 JF Annotated Clean COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587370723 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587370727 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587370732 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587370735 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 ZINC000587371341 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 ZINC000587371346 JF Annotated Anodyne CN1[C@H](C(=O)O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000587372171 JF Annotated Anodyne CN1[C@H](C(=O)O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000587372180 JF Annotated Anodyne CN1[C@H](C(=O)O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000587372183 JF Annotated Anodyne CN1[C@H](C(=O)O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000587372189 JF Annotated Anodyne CCOC(=O)C[C@@]1(COCCN2C(=O)c3ccccc3C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389661 JF Annotated Anodyne CCOC(=O)C[C@]1(COCCN2C(=O)c3ccccc3C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389671 JF Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCC[C@@]1(C)CC(=O)c3cc(C)cc(N)c3O1)c(=O)n2C ZINC000587392579 JF Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCC[C@]1(C)CC(=O)c3cc(C)cc(N)c3O1)c(=O)n2C ZINC000587392590 JF Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587394109 JF Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587394113 JF Annotated Anodyne CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587394897 JF Annotated Anodyne CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587394901 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(CN3CCOCC3)c(O)c(CN3CCOCC3)c1)O2 ZINC000587397508 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(CN3CCOCC3)c(O)c(CN3CCOCC3)c1)O2 ZINC000587397509 JF Annotated Clean CCOC(=O)C12CC3CC(C(=O)OCC)(CC(C1)C3=O)C21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397858 JF Annotated Anodyne CCOC(=O)C12CC3CC(C(=O)OCC)(CC(C1)C31CC(=O)c3cc(C)cc(N)c3O1)C2=O ZINC000587398620 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(Cc2ccccc2)C(=O)[C@@H]1C(=O)NCC(=O)O ZINC000587398884 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(Cc2ccccc2)C(=O)[C@@H]1C(=O)NCC(=O)O ZINC000587398888 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1C(=O)NCC(=O)O ZINC000587398892 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1C(=O)NCC(=O)O ZINC000587398894 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@]13CC(=O)c1cc(C)cc(N)c1O3)N2C ZINC000587402093 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@]13CC(=O)c1cc(C)cc(N)c1O3)N2C ZINC000587402094 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@]13CC(=O)c1cc(C)cc(N)c1O3)N2C ZINC000587402095 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@]13CC(=O)c1cc(C)cc(N)c1O3)N2C ZINC000587402096 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2[C@H](O)[C@]2(O)[C@H](O)CC3=C(C(=O)C[C@H](C)C3)[C@@H]12 ZINC000587402672 JF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2[C@H](O)[C@@]2(O)[C@@H]1C1=C(C[C@@H](C)CC1=O)C[C@H]2O ZINC000587402674 JF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2[C@H](O)[C@@]2(O)[C@@H]1C1=C(C[C@H](C)CC1=O)C[C@H]2O ZINC000587402678 JF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2[C@H](O)[C@]2(O)[C@H](O)CC3=C(C(=O)C[C@@H](C)C3)[C@@H]12 ZINC000587402681 JF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000587407933 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000587407949 JF Annotated Clean COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)CC1=O ZINC000587407950 JF Annotated Mild COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)CC1=O ZINC000587407956 JF Annotated Mild COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)CC1=O ZINC000587407957 JF Annotated Mild COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)CC1=O ZINC000587407961 JF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(S(=O)(=O)O)c(N)c21 ZINC000587408064 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(S(=O)(=O)O)c(N)c21 ZINC000587408065 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 ZINC000587408261 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 ZINC000587408262 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2sccc2S(=O)(=O)N(C)[C@@H]1C(=O)Nc1ccccn1 ZINC000587408313 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2sccc2S(=O)(=O)N(C)[C@@H]1C(=O)Nc1ccccn1 ZINC000587408315 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2sccc2S(=O)(=O)N(C)[C@H]1C(=O)Nc1ccccn1 ZINC000587408318 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2sccc2S(=O)(=O)N(C)[C@H]1C(=O)Nc1ccccn1 ZINC000587408320 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(S(=O)(=O)N3CCOCC3)c1)O2 ZINC000587408642 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(S(=O)(=O)N3CCOCC3)c1)O2 ZINC000587408644 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)c1)O2 ZINC000587410076 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)c1)O2 ZINC000587410080 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)O2 ZINC000587410081 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)O2 ZINC000587410084 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc1)O2 ZINC000587410643 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc1)O2 ZINC000587410644 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)N3CCC(C(=O)O)CC3)c1)O2 ZINC000587410645 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)N3CCC(C(=O)O)CC3)c1)O2 ZINC000587410646 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)cc1)O2 ZINC000587410660 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)cc1)O2 ZINC000587410661 JF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)Nc1ncc(C)s1 ZINC000587412014 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)Nc1ncc(C)s1 ZINC000587412023 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)Nc1ncc(C)s1 ZINC000587412025 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)Nc1ncc(C)s1 ZINC000587412028 JF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000587413976 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000587413983 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000587413984 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000587413985 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587414662 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587414663 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587414664 JF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 ZINC000587414665 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)N(CC(=O)N(C)C)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587420442 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CC(=O)N(C)C)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587420444 JF Annotated Anodyne COCCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587426269 JF Annotated Mild COCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587426272 JF Annotated Mild COC(=O)c1ncn(C[C@]2(c3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C(=O)OC ZINC000587427067 JF Annotated Anodyne COC(=O)c1ncn(C[C@@]2(c3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C(=O)OC ZINC000587427070 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CI)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587430140 JF Annotated Reactive COc1cc2c3c(c1)O[C@](CI)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587430144 JF Annotated Reactive CCCn1cnc2c1c(=O)n(CCCC[C@@]1(C)Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c(=O)n2C ZINC000587432925 JF Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCC[C@]1(C)Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c(=O)n2C ZINC000587432930 JF Annotated Anodyne COc1cc2c3c(c1)O[C@](C[N+](=O)[O-])(c1ncn(Cc4ccccc4)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434690 JF Annotated Bother COc1cc2c3c(c1)O[C@@](C[N+](=O)[O-])(c1ncn(Cc4ccccc4)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434691 JF Annotated Bother CCOC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@]13Oc1cc(OC)cc4c1C(=O)[C@H]3C4)N2C ZINC000587434723 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@]13Oc1cc(OC)cc4c1C(=O)[C@H]3C4)N2C ZINC000587434724 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@]13Oc1cc(OC)cc4c1C(=O)[C@H]3C4)N2C ZINC000587434725 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@]13Oc1cc(OC)cc4c1C(=O)[C@H]3C4)N2C ZINC000587434726 JF Annotated Anodyne CCOC(=O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434918 JF Annotated Anodyne CCOC(=O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434926 JF Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434927 JF Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434930 JF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(CCN4C(=O)c5ccccc5C4=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587436953 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCN4C(=O)c5ccccc5C4=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587436954 JF Annotated Anodyne CCN1CCN(c2nc3ccc(C)cn3c(=O)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587438028 JF Annotated Anodyne CCN1CCN(c2nc3ccc(C)cn3c(=O)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587438029 JF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)[nH]c(C(=O)OCC)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438305 JF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)[nH]c(C(=O)OCC)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438306 JF Annotated Anodyne CCN1CCN(c2nc3c(C)cccn3c(=O)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587439614 JF Annotated Anodyne CCN1CCN(c2nc3c(C)cccn3c(=O)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587439617 JF Annotated Anodyne CCOC(=O)C12CC3CC(C(=O)OCC)(CC(C1)C31Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C2=O ZINC000587440413 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4N/C1=C\N1CCOCC1)[C@@H](C2)C3=O ZINC000587441169 JF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4N/C1=C\N1CCOCC1)[C@@H](C2)C3=O ZINC000587441198 JF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4N/C1=C/N1CCOCC1)[C@@H](C2)C3=O ZINC000587441199 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4N/C1=C/N1CCOCC1)[C@@H](C2)C3=O ZINC000587441200 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(C)=O)CC4)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587441682 JF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(C)=O)CC4)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587441689 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(CN4CCOCC4)c(O)c(CN4CCOCC4)c1)[C@@H](C2)C3=O ZINC000587441715 JF Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(CN4CCOCC4)c(O)c(CN4CCOCC4)c1)[C@@H](C2)C3=O ZINC000587441719 JF Annotated Clean CCOC(=O)C12CC3CC(C(=O)OCC)(CC(C1)C3=O)C21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442522 JF Annotated Anodyne COCCn1cc([C@]2(c3ccccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587443962 JF Annotated Mild COCCn1cc([C@@]2(c3ccccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(C#N)c1=O ZINC000587443963 JF Annotated Mild CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N1CCOCC1 ZINC000587444952 JF Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N1CCOCC1 ZINC000587444959 JF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(C)=O)CC4)Oc4c1ccc(O)c4O)[C@@H](C2)C3=O ZINC000587445947 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(C)=O)CC4)Oc4c1ccc(O)c4O)[C@@H](C2)C3=O ZINC000587445949 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587447895 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587447899 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587447901 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587447902 JF Annotated Clean CCOC(=O)C[C@@]1(c2cccc(S(=O)(=O)N(C)C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447911 JF Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(S(=O)(=O)N(C)C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447912 JF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(S(=O)(=O)N(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448373 JF Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(S(=O)(=O)N(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448375 JF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587448636 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587448638 JF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1ccc(S(=O)(=O)O)c4N)[C@@H](C2)C3=O ZINC000587448891 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1ccc(S(=O)(=O)O)c4N)[C@@H](C2)C3=O ZINC000587448892 JF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]1O)[C@@H](C2)C3=O ZINC000587449328 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]1O)[C@@H](C2)C3=O ZINC000587449339 JF Annotated Clean COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O ZINC000587449685 JF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O ZINC000587449693 JF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(S(=O)(=O)O)c(N)c41)[C@@H](C2)C3=O ZINC000587450884 JF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(S(=O)(=O)O)c(N)c41)[C@@H](C2)C3=O ZINC000587450887 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(=O)(=O)N4CCC(C(=O)O)CC4)c1)[C@@H](C2)C3=O ZINC000587450901 JF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(S(=O)(=O)N4CCC(C(=O)O)CC4)c1)[C@@H](C2)C3=O ZINC000587450907 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587450983 JF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587451321 JF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O ZINC000587452545 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O ZINC000587452550 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O ZINC000587452553 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O ZINC000587452555 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4cc(O)c(O)c(O)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455147 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4cc(O)c(O)c(O)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455148 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4cc(O)c(O)c(O)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455149 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4cc(O)c(O)c(O)c4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455150 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4cc(O)c(O)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587455281 JF Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4cc(O)c(O)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587455282 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4cc(O)c(O)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587455283 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4cc(O)c(O)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587455284 JF Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)cc4O)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455741 JF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)cc4O)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455744 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)cc4O)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455745 JF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)cc4O)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455746 JF Annotated Anodyne COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)CC1=O ZINC000587456115 JF Annotated Mild COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)CC1=O ZINC000587456123 JF Annotated Mild COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)CC1=O ZINC000587456125 JF Annotated Mild COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)C2=O)CC1=O ZINC000587456127 JF Annotated Mild C#CCNC(=O)CN1C(=O)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2cc(Cl)ccc21 ZINC000587459419 JF Annotated Mild C#CCNC(=O)CN1C(=O)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2cc(Cl)ccc21 ZINC000587459422 JF Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000587480055 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)c2ccccc2)[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000587480061 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)c2ccccc2)[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000587480064 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000587480071 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)CC2=O ZINC000587482880 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)CC2=O ZINC000587482885 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)O)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587487306 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)O)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587487323 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCC(C(N)=O)CC3)nc3ccccn3c1=O)CC2=O ZINC000587487878 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCC(C(N)=O)CC3)nc3ccccn3c1=O)CC2=O ZINC000587487879 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587488049 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587488052 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H]1NCCC[C@H]1O)(Cn1cnc3ccccc3c1=O)CC2=O ZINC000587488180 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H]1NCCC[C@H]1O)(Cn1cnc3ccccc3c1=O)CC2=O ZINC000587488184 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H]1NCCC[C@@H]1O)(Cn1cnc3ccccc3c1=O)CC2=O ZINC000587488191 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H]1NCCC[C@@H]1O)(Cn1cnc3ccccc3c1=O)CC2=O ZINC000587488194 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCCN1C(=O)[C@H]3[C@@H](N=CN3C)N(C)C1=O)CC2=O ZINC000587489898 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCCN1C(=O)[C@@H]3[C@H](N=CN3C)N(C)C1=O)CC2=O ZINC000587489902 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCCN1C(=O)[C@@H]3[C@@H](N=CN3C)N(C)C1=O)CC2=O ZINC000587489904 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCCN1C(=O)[C@H]3[C@H](N=CN3C)N(C)C1=O)CC2=O ZINC000587489906 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2sc(Cl)cc2S(=O)(=O)N[C@@H]1C(=O)OC ZINC000587493984 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2sc(Cl)cc2S(=O)(=O)N[C@H]1C(=O)OC ZINC000587493985 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2sc(Cl)cc2S(=O)(=O)N[C@H]1C(=O)OC ZINC000587493986 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2sc(Cl)cc2S(=O)(=O)N[C@@H]1C(=O)OC ZINC000587493987 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CN1C(=O)c3ccccc3S1(=O)=O)CC2=O ZINC000587494000 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CN1C(=O)c3ccccc3S1(=O)=O)CC2=O ZINC000587494001 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)OCC ZINC000587494777 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)OCC ZINC000587494784 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)OCC ZINC000587494786 JF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)OCC ZINC000587494787 JF Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](Br)C(=O)C(=O)[C@H]2Br ZINC000587497851 JF Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](Br)C(=O)C(=O)[C@@H]2Br ZINC000587497854 JF Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](Br)C(=O)C(=O)[C@@H]2Br ZINC000587497857 JF Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](Br)C(=O)C(=O)[C@H]2Br ZINC000587497859 JF Annotated Reactive Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(CCO)CC3)nc12 ZINC000587523943 JF Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(CCO)CC3)nc12 ZINC000587523946 JF Annotated Anodyne Cc1ccc2nc(N3CCN(CCO)CC3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587525012 JF Annotated Anodyne Cc1ccc2nc(N3CCN(CCO)CC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587525014 JF Annotated Anodyne NC(=O)C1CCN(c2nc3ccccn3c(=O)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587528002 JF Annotated Anodyne NC(=O)C1CCN(c2nc3ccccn3c(=O)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587528003 JF Annotated Anodyne COC(=O)[C@@H]1NS(=O)(=O)c2cc(Cl)sc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529725 JF Annotated Anodyne COC(=O)[C@@H]1NS(=O)(=O)c2cc(Cl)sc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529728 JF Annotated Anodyne COC(=O)[C@H]1NS(=O)(=O)c2cc(Cl)sc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529730 JF Annotated Anodyne COC(=O)[C@H]1NS(=O)(=O)c2cc(Cl)sc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587529731 JF Annotated Anodyne O=C1C[C@@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)Oc2c1ccc1c2CCCC1 ZINC000587532932 JF Annotated Clean O=C1C[C@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)Oc2c1ccc1c2CCCC1 ZINC000587532935 JF Annotated Clean CCOC(=O)[C@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533515 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533516 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533517 JF Annotated Anodyne CCOC(=O)[C@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587533518 JF Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(CNC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533780 JF Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(CNC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533781 JF Annotated Anodyne COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537774 JF Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537782 JF Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537783 JF Annotated Reactive COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537784 JF Annotated Reactive Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N2CCOCC2)n1 ZINC000587550741 JF Annotated Anodyne Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N2CCOCC2)n1 ZINC000587550766 JF Annotated Anodyne Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N2CCOCC2)n1 ZINC000587550768 JF Annotated Anodyne Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N2CCOCC2)n1 ZINC000587550769 JF Annotated Anodyne NC(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587552397 JF Annotated Anodyne NC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587552398 JF Annotated Anodyne NC(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587552399 JF Annotated Anodyne NC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587552400 JF Annotated Anodyne C#CCNC(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587553825 JF Annotated Mild C#CCNC(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587553835 JF Annotated Mild C#CCNC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587553838 JF Annotated Mild C#CCNC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587553839 JF Annotated Mild CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554055 JF Annotated Anodyne CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554057 JF Annotated Anodyne CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554058 JF Annotated Anodyne CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554059 JF Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@@H](O)COc1cccc(O)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587554213 JF Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587554214 JF Annotated Anodyne CN1C(=O)[C@H](c2ccc3c(O)nc(O)nc3n2)C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@@H]2C1(C)C ZINC000587554222 JF Annotated Anodyne CN1C(=O)[C@H](c2ccc3c(O)nc(O)nc3n2)C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C ZINC000587554223 JF Annotated Anodyne CN1C(=O)[C@H](c2ccc3c(O)nc(O)nc3n2)C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C ZINC000587554224 JF Annotated Anodyne CN1C(=O)[C@H](c2ccc3c(O)nc(O)nc3n2)C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@@H]2C1(C)C ZINC000587554225 JF Annotated Anodyne COc1cc(CC[C@H](O)Cc2nc3nc(O)nc(O)c3cc2Cc2ccc(O)c(OC)c2)ccc1O ZINC000587560073 JF Annotated Anodyne COc1cc(CC[C@@H](O)Cc2nc3nc(O)nc(O)c3cc2Cc2ccc(O)c(OC)c2)ccc1O ZINC000587560074 JF Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(Cc4cc5c(O)nc(O)nc5nc4[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587560467 JF Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(Cc4cc5c(O)nc(O)nc5nc4[C@H]32)[C@@H](C)[C@@H]1O ZINC000587560785 JF Annotated Mild CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCC ZINC000587563087 JF Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCC ZINC000587563088 JF Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OC ZINC000587564890 JF Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OC ZINC000587564893 JF Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 ZINC000587565692 JF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587566396 JF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCOCCCOCCC(=O)OCC)[nH]c2c1 ZINC000587567318 JF Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCC(N)=O ZINC000587579468 JF Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCC(N)=O ZINC000587579469 JF Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCC(N)=O ZINC000587579470 JF Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCC(N)=O ZINC000587579471 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C(=O)OCC ZINC000587580028 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C(=O)OCC ZINC000587580030 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C(=O)OCC ZINC000587580032 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C(=O)OCC ZINC000587580035 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580324 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580330 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580333 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580335 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581190 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581191 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581192 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581193 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581734 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581735 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581736 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581737 JF Annotated Anodyne CCn1c(N=CN(C)C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)nc1=O ZINC000587581925 JF Annotated Mild CCn1c(N=CN(C)C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)nc1=O ZINC000587581929 JF Annotated Mild CCn1c(N=CN(C)C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)nc1=O ZINC000587581931 JF Annotated Mild CCn1c(N=CN(C)C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)nc1=O ZINC000587581933 JF Annotated Mild CCOC(=O)C1=C[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)N(C)C1=N ZINC000587582205 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)N(C)C1=N ZINC000587582210 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)N(C)C1=N ZINC000587582211 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)N(C)C1=N ZINC000587582212 JF Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582223 JF Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582229 JF Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582231 JF Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582233 JF Annotated Anodyne C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587585352 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587585353 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587585354 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccnc21 ZINC000587585355 JF Annotated Mild CC(C)(C)OC(=O)CN1CC[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586578 JF Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586585 JF Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586586 JF Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586589 JF Annotated Anodyne CN1C(=O)N(CCCC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@H]2[C@H]1N=CN2C ZINC000587586740 JF Annotated Anodyne CN1C(=O)N(CCCC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@H]2[C@H]1N=CN2C ZINC000587586749 JF Annotated Anodyne CN1C(=O)N(CCCC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@H]2[C@H]1N=CN2C ZINC000587586750 JF Annotated Anodyne CN1C(=O)N(CCCC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@H]2[C@H]1N=CN2C ZINC000587586751 JF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCOCC2)nc2ccccn2c1=O ZINC000587587166 JF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCOCC2)nc2ccccn2c1=O ZINC000587587168 JF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCOCC2)nc2ccccn2c1=O ZINC000587587170 JF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCOCC2)nc2ccccn2c1=O ZINC000587587171 JF Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587588502 JF Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587588508 JF Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587588510 JF Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587588512 JF Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587591478 JF Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587591485 JF Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587591488 JF Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587591492 JF Annotated Anodyne CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595074 JF Annotated Anodyne CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595077 JF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3[C@]12O ZINC000587595078 JF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3[C@]12O ZINC000587595080 JF Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599546 JF Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C(=O)OCC)CC1=O ZINC000587599548 JF Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599550 JF Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C(=O)OCC)CC1=O ZINC000587599552 JF Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605170 JF Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605171 JF Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605172 JF Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605173 JF Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605632 JF Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605634 JF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605636 JF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605637 JF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)NCCCO)cc1 ZINC000587607142 JF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(=O)(=O)NCCCO)cc1 ZINC000587607144 JF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)NCCCO)cc1 ZINC000587607146 JF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(=O)(=O)NCCCO)cc1 ZINC000587607147 JF Annotated Anodyne CS(=O)(=O)N(c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587608939 JF Annotated Anodyne CS(=O)(=O)N(c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587608944 JF Annotated Anodyne CS(=O)(=O)N(c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587608946 JF Annotated Anodyne CS(=O)(=O)N(c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)S(C)(=O)=O ZINC000587608948 JF Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609412 JF Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609418 JF Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609421 JF Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609422 JF Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587609867 JF Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587609876 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587610396 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587610398 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587610400 JF Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587610402 JF Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610450 JF Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610453 JF Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610456 JF Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610459 JF Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3S2(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610565 JF Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3S2(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610571 JF Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3S2(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610574 JF Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3S2(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610577 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587611612 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587611613 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587611614 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587611615 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613922 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613926 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613929 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613931 JF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(S(N)(=O)=O)c2c1 ZINC000587619558 JF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cnc([N+](=O)[O-])n3)c2c1 ZINC000587620874 JF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3)c(CC(=O)O)c2c1 ZINC000587621084 JF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N3CCOCC3)c2c1 ZINC000587621171 JF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cn3cnc([N+](=O)[O-])n3)c2c1 ZINC000587621467 JF Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3C(=O)CCC3=O)c2c1 ZINC000587621727 JF Annotated Bother Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587623801 JF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587623802 JF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587623803 JF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587623804 JF Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3c(C(=O)O)cccc23)c1C(=O)OC ZINC000587638924 JF Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc4c(c3)OCO4)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC ZINC000587647034 JF Annotated Bother COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC ZINC000587647776 JF Annotated Bother O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653730 JF Annotated Bother O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000587654486 JF Annotated Anodyne NNC(=O)c1cc(Cl)cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587654767 JF Annotated Reactive Cc1cc(-c2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)n2C[C@@H]2CCCO2)nn1C ZINC000587654969 JF Annotated Anodyne Cc1cc(-c2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)n2C[C@H]2CCCO2)nn1C ZINC000587654970 JF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](CC(=O)n1ncc3ccc(Cl)cc3c1=O)N(S(C)(=O)=O)CC2 ZINC000587655141 JF Annotated Anodyne COc1cc2c(cc1OC)[C@H](CC(=O)n1ncc3ccc(Cl)cc3c1=O)N(S(C)(=O)=O)CC2 ZINC000587655142 JF Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000587657686 JF Annotated Anodyne O=C(CS(=O)(=O)Cn1cc(Cl)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658041 JF Annotated Anodyne CN1CCN(S(=O)(=O)c2cccnc2-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587658268 JF Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC000587658777 JF Annotated Anodyne NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 ZINC000587659226 JF Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587660203 JF Annotated Reactive O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC000587660804 JF Annotated Anodyne CN1CCN(S(=O)(=O)c2cccnc2-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587660832 JF Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2)CC1 ZINC000587661274 JF Annotated Anodyne Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)C2)cn1 ZINC000587661289 JF Annotated Anodyne Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)C2)cn1 ZINC000587661290 JF Annotated Anodyne O=C(CS(=O)(=O)Cn1cc(Cl)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662359 JF Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000587662379 JF Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3[nH]nnc3=N)c(=O)c3ccccc23)c(O)c1 ZINC000587663806 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)cc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587666512 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN3C(=O)NC(C)(C)C3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587666518 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666546 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666560 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666596 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666598 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c([N+](=O)[O-])cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666999 JF Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ccnc4c3c(=O)n(C)c(=O)n4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667061 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587667378 JF Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)Cc3cc(O)nc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667414 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667439 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587667440 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(O)c4cnn(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667474 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3cnc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667706 JF Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN3S(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667717 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN3S(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667718 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(S(N)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667947 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCN3C(=O)C=CC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587668062 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc(C(=O)OC)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668070 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587668073 JF Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(O)nc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587668458 JF Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc4c3c(=O)n(C)c(=O)n4C)c(=O)c3ccccc23)cc1OCC ZINC000587668555 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cc(O)nc(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668770 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cnc([N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC ZINC000587669035 JF Annotated Bother CCN(CC)c1ccc(-c2nn(C(=S)NCCN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587669159 JF Annotated Anodyne CCN=c1nc(-n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)[nH]c(=NCC)[nH]1 ZINC000587669847 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCSCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587670116 JF Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3nn(C)cc3C(=O)O)c(=O)c3ccccc23)cc1OCC ZINC000587670138 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCN3S(C)(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587670148 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCN3S(C)(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587670149 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670172 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587670174 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3[nH]cnc3C(=O)NC)c(=O)c3ccccc23)cc1OCC ZINC000587670189 JF Annotated Anodyne COC(=O)C[C@H](Br)[C@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670191 JF Annotated Reactive COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670194 JF Annotated Reactive COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670195 JF Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670196 JF Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587671173 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587671177 JF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(S(C)(=O)=O)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587671353 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671429 JF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671431 JF Annotated Anodyne COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671491 JF Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671493 JF Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671494 JF Annotated Reactive COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671495 JF Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3nnc(O)nc3O)c(=O)c3ccccc23)cc1OCC ZINC000587671885 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 ZINC000587683426 JF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 ZINC000587683427 JF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 ZINC000587683428 JF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 ZINC000587683429 JF Annotated Reactive CC(C)Cn1c(N)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O ZINC000587683463 JF Annotated Reactive CC(C)Cn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O ZINC000587683469 JF Annotated Reactive CC(C)Cn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O ZINC000587683471 JF Annotated Reactive CC(C)Cn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O ZINC000587683473 JF Annotated Reactive CC(C)Cn1c(N)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O ZINC000587684080 JF Annotated Reactive CC(C)Cn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O ZINC000587684081 JF Annotated Reactive CC(C)Cn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O ZINC000587684082 JF Annotated Reactive CC(C)Cn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O ZINC000587684083 JF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 ZINC000587684260 JF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 ZINC000587684263 JF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 ZINC000587684265 JF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 ZINC000587684267 JF Annotated Reactive CCCn1c(N)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587685790 JF Annotated Reactive CCCn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587685804 JF Annotated Reactive CCCn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587685805 JF Annotated Reactive CCCn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587685807 JF Annotated Reactive CCCn1c(N)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587686624 JF Annotated Reactive CCCn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587686625 JF Annotated Reactive CCCn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587686627 JF Annotated Reactive CCCn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587686629 JF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(CC(=O)O)CC(=O)O)(C(F)(F)F)N1 ZINC000587702573 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(CC(=O)O)CC(=O)O)(C(F)(F)F)N1 ZINC000587702579 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(CC(=O)O)CC(=O)O)(C(F)(F)F)N1 ZINC000587702581 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(CC(=O)O)CC(=O)O)(C(F)(F)F)N1 ZINC000587702583 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(CC(=O)O)CC(=O)O)(C(F)(F)F)N1 ZINC000587707560 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(CC(=O)O)CC(=O)O)(C(F)(F)F)N1 ZINC000587707561 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(CC(=O)O)CC(=O)O)(C(F)(F)F)N1 ZINC000587707562 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(CC(=O)O)CC(=O)O)(C(F)(F)F)N1 ZINC000587707563 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754547 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754548 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754549 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754550 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758124 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758125 JF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758126 JF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758127 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)N(C)C1=N ZINC000587759712 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)N(C)C1=N ZINC000587759714 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)N(C)C1=N ZINC000587759716 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)N(C)C1=N ZINC000587759717 JF Annotated Anodyne CCn1c(N=CN(C)C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587759946 JF Annotated Mild CCn1c(N=CN(C)C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587759947 JF Annotated Mild CCn1c(N=CN(C)C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587759948 JF Annotated Mild CCn1c(N=CN(C)C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587759949 JF Annotated Mild CCn1c(N=CN(C)C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587760242 JF Annotated Mild CCn1c(N=CN(C)C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587760243 JF Annotated Mild CCn1c(N=CN(C)C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587760244 JF Annotated Mild CCn1c(N=CN(C)C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587760245 JF Annotated Mild CCOC(=O)C1=C[C@H]([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)N(C)C1=N ZINC000587760754 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)N(C)C1=N ZINC000587760755 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)N(C)C1=N ZINC000587760756 JF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)N(C)C1=N ZINC000587760757 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760835 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760836 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760837 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760838 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761370 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761371 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761515 JF Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761516 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C(=O)OCC ZINC000587761715 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C(=O)OCC ZINC000587761716 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C(=O)OCC ZINC000587761717 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C(=O)OCC ZINC000587761718 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762318 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762319 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762320 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762321 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C(=O)OCC ZINC000587762412 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C(=O)OCC ZINC000587762413 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C(=O)OCC ZINC000587762414 JF Annotated Anodyne CCOC(=O)c1nnn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C(=O)OCC ZINC000587762415 JF Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762519 JF Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762523 JF Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762525 JF Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762526 JF Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763206 JF Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763207 JF Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763208 JF Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763209 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763438 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763439 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763440 JF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763441 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764124 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764125 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764126 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764127 JF Annotated Anodyne CCN1C=C(C(=O)NN)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587764630 JF Annotated Reactive CCN1C=C(C(=O)NN)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587764633 JF Annotated Reactive CCN1C=C(C(=O)NN)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587764636 JF Annotated Reactive CCN1C=C(C(=O)NN)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 ZINC000587764639 JF Annotated Reactive C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cccnc21 ZINC000587764737 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cccnc21 ZINC000587764738 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cccnc21 ZINC000587764739 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cccnc21 ZINC000587764740 JF Annotated Mild CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768081 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768084 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768087 JF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768090 JF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3[C@@]12O ZINC000587769222 JF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3[C@]12O ZINC000587769257 JF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3[C@]12O ZINC000587769260 JF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3[C@@]12O ZINC000587769263 JF Annotated Anodyne CCN1C=C(C(=O)NN)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587769586 JF Annotated Reactive CCN1C=C(C(=O)NN)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587769587 JF Annotated Reactive CCN1C=C(C(=O)NN)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587769588 JF Annotated Reactive CCN1C=C(C(=O)NN)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 ZINC000587769589 JF Annotated Reactive C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cccnc21 ZINC000587770483 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cccnc21 ZINC000587770487 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cccnc21 ZINC000587770491 JF Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cccnc21 ZINC000587770496 JF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N3CCOCC3)cc2)(C(O)O)N1 ZINC000587774028 JF Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N3CCOCC3)cc2)(C(O)O)N1 ZINC000587774033 JF Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N3CCOCC3)cc2)(C(O)O)N1 ZINC000587774034 JF Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N3CCOCC3)cc2)(C(O)O)N1 ZINC000587774035 JF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N3CCOCC3)cc2)(C(O)O)N1 ZINC000587775752 JF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N3CCOCC3)cc2)(C(O)O)N1 ZINC000587775753 JF Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N3CCOCC3)cc2)(C(O)O)N1 ZINC000587775754 JF Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N3CCOCC3)cc2)(C(O)O)N1 ZINC000587775755 JF Annotated Clean CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776685 JF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3[C@]12O ZINC000587776686 JF Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3[C@]12O ZINC000587776687 JF Annotated Anodyne CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776688 JF Annotated Anodyne CCOCCOCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587778526 JF Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587788345 JF Annotated Anodyne CC1=CC2=C([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587837359 JF Annotated Mild CC1=CC2=C([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587837360 JF Annotated Mild CC1=CC2=C([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587837361 JF Annotated Mild CC1=CC2=C([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587837362 JF Annotated Mild CC1=CC2=C(C=O)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587837623 JF Annotated Reactive CC1=CC2=C(C=O)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587837624 JF Annotated Reactive CC1=CC2=C(C=O)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587837625 JF Annotated Reactive CC1=CC2=C(C=O)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587837626 JF Annotated Reactive C=C1[C@@H]2O[C@@H]3C=C(C)[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O ZINC000587837949 JF Annotated Mild C=C1[C@@H]2O[C@@H]3C=C(C)[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O ZINC000587837954 JF Annotated Mild C=C1[C@@H]2O[C@@H]3C=C(C)[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O ZINC000587837958 JF Annotated Mild C=C1[C@@H]2O[C@@H]3C=C(C)[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O ZINC000587837959 JF Annotated Mild CC1=CC2=C(C=O)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587838259 JF Annotated Reactive CC1=CC2=C(C=O)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587838260 JF Annotated Reactive CC1=CC2=C(C=O)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587838261 JF Annotated Reactive CC1=CC2=C(C=O)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587838262 JF Annotated Reactive CC1=CC2=C([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587838476 JF Annotated Mild CC1=CC2=C([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587838477 JF Annotated Mild CC1=CC2=C([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587838479 JF Annotated Mild CC1=CC2=C([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000587838481 JF Annotated Mild COC(=O)C1=C(OC)C(=O)OC12C=CC1(C=C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838725 JF Annotated Anodyne COC(=O)C1=C(OC)C(=O)OC12C=CC1(C=C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838726 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839279 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839283 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839284 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839287 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)NCC(=O)O)c2)N1 ZINC000587839395 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)NCC(=O)O)c2)N1 ZINC000587839399 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)NCC(=O)O)c2)N1 ZINC000587839401 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)NCC(=O)O)c2)N1 ZINC000587839403 JF Annotated Anodyne C=C1[C@@H]2O[C@@H]3C=C(C)[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O ZINC000587839553 JF Annotated Mild C=C1[C@@H]2O[C@@H]3C=C(C)[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O ZINC000587839557 JF Annotated Mild C=C1[C@@H]2O[C@@H]3C=C(C)[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O ZINC000587839559 JF Annotated Mild C=C1[C@@H]2O[C@@H]3C=C(C)[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O ZINC000587839561 JF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 ZINC000587839754 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 ZINC000587839757 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 ZINC000587839759 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 ZINC000587839760 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839825 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839826 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839827 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839829 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839870 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839871 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839872 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587839873 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)N1 ZINC000587840074 JF Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)N1 ZINC000587840075 JF Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)N1 ZINC000587840076 JF Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)N1 ZINC000587840077 JF Annotated Clean COC(=O)C1=C(OC)C(=O)OC12C=CC1(C=C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840498 JF Annotated Anodyne COC(=O)C1=C(OC)C(=O)OC12C=CC1(C=C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840499 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)NCCCO)cc2)N1 ZINC000587841110 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)NCCCO)cc2)N1 ZINC000587841111 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)NCCCO)cc2)N1 ZINC000587841112 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)NCCCO)cc2)N1 ZINC000587841113 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 ZINC000587841574 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 ZINC000587841575 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 ZINC000587841576 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 ZINC000587841577 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)NCC(=O)O)c2)N1 ZINC000587841590 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)NCC(=O)O)c2)N1 ZINC000587841591 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)NCC(=O)O)c2)N1 ZINC000587841592 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)NCC(=O)O)c2)N1 ZINC000587841593 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841785 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841792 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841793 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841794 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587843007 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587843009 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587843011 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NCC(=O)O)cc2)N1 ZINC000587843013 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843264 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843265 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843266 JF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843267 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)NCCCO)cc2)N1 ZINC000587843380 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)NCCCO)cc2)N1 ZINC000587843381 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)NCCCO)cc2)N1 ZINC000587843382 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)NCCCO)cc2)N1 ZINC000587843383 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)N1 ZINC000587843795 JF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)N1 ZINC000587843797 JF Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)N1 ZINC000587843800 JF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3oc(=O)c4cc(O)c(O)c(O)c4c3OC2=O)N1 ZINC000587843803 JF Annotated Clean COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844354 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844355 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844356 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844357 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587846117 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587846119 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587846122 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587846124 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587846179 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587846186 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587846188 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587846191 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587847036 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587847037 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587847038 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587847040 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587847764 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587847765 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587847767 JF Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587847768 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587848108 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587848109 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587848110 JF Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587848111 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587849434 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587849435 JF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587849436 JF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587849437 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851367 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851368 JF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851369 JF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587851370 JF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000587863996 JF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC000587864356 JF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000587865967 JF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(I)cnn1C ZINC000587867477 JF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)cc1I ZINC000587867951 JF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C(=O)NN)c(Cl)c(N)c1Cl ZINC000587868026 JF Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1n[nH]cc1I ZINC000587868221 JF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000587869126 JF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587869458 JF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CS(=O)(=O)Cn1cc(Cl)cn1 ZINC000587870214 JF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000587870223 JF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000587873056 JF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000587873117 JF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000587873126 JF Annotated Anodyne NNc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)n3nc4cc3oc3ccc(F)cc43)C2)cc1 ZINC000587875218 JF Annotated Anodyne NNc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)n3nc4cc3oc3ccc(F)cc43)C2)cc1 ZINC000587875231 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(CC(=O)n3nc4cc3oc3ccc(F)cc43)CC2)cc1 ZINC000587876995 JF Annotated Anodyne CCOC(=O)c1nn(C(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c(OCC)c1C#N ZINC000587877028 JF Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c(OCC)c1C#N ZINC000587877034 JF Annotated Mild COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(=O)N(C)C ZINC000587877346 JF Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)NN)cc1OC ZINC000587877470 JF Annotated Reactive CCOc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(N)=O ZINC000587877542 JF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([C@H](N)C(=O)O)cc1OC ZINC000587877633 JF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([C@@H](N)C(=O)O)cc1OC ZINC000587877635 JF Annotated Mild COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(=O)O ZINC000587877868 JF Annotated Mild COc1cc(OC)c([C@H](N)C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878249 JF Annotated Mild COc1cc(OC)c([C@@H](N)C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878250 JF Annotated Mild NNC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878670 JF Annotated Reactive O=C(CCl)NCC(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879591 JF Annotated Reactive CCOC(=O)c1[nH]nc(OCCOC)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880568 JF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)c1OCC(=O)O ZINC000587880720 JF Annotated Mild CCOC(=O)Cn1nc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587881697 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ncon1 ZINC000587884002 JF Annotated Mild O=C(O)CCN1C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1=O ZINC000587884296 JF Annotated Mild COC(=O)[C@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)NC(C)=O ZINC000587884374 JF Annotated Mild COC(=O)[C@@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)NC(C)=O ZINC000587884375 JF Annotated Mild C[C@@H](CO)NC(=O)C1=Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2OC1 ZINC000587884491 JF Annotated Mild C[C@H](CO)NC(=O)C1=Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2OC1 ZINC000587884492 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cn2nnc3c(O)ncnc32)cc1 ZINC000587884840 JF Annotated Mild CN(C)CCN1C(=O)C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884944 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(Cn2ccc(C(=O)N3CCCC3)n2)c1 ZINC000587885366 JF Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N1CCOCC1 ZINC000587885566 JF Annotated Mild NNC(=O)c1ccn(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587885789 JF Annotated Reactive NNC(=O)c1cccc(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 ZINC000587885835 JF Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCCN2CCNC(=O)C2)cc1 ZINC000587885950 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(N2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000587887389 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(N2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000587887394 JF Annotated Mild CCOC(=O)Cn1c(O)nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc21 ZINC000587888974 JF Annotated Mild N[C@@H]1CCc2nc(Br)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2C1 ZINC000587890348 JF Annotated Mild N[C@H]1CCc2nc(Br)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2C1 ZINC000587890349 JF Annotated Mild CCc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n2c(Br)c(C)c(=O)n2c1=O ZINC000587890791 JF Annotated Mild C=C1NC(=O)C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1Cc1noc(CC)n1 ZINC000587890957 JF Annotated Mild CCCc1noc(Cn2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2=O)n1 ZINC000587890987 JF Annotated Mild C=C1NC(=O)C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1Cc1nc(CC)no1 ZINC000587891030 JF Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)nc(=O)n1Cc1ccccc1 ZINC000587891172 JF Annotated Mild CC(C)c1noc(Cn2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2=O)n1 ZINC000587891188 JF Annotated Mild C=C1NC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1noc(CC)n1 ZINC000587891227 JF Annotated Mild C=C1NC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1nc(CC)no1 ZINC000587891328 JF Annotated Mild CCOC(=O)c1cnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2c1=O ZINC000587891338 JF Annotated Mild NNC(=O)Cn1nc(C(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 ZINC000587892636 JF Annotated Reactive CS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)c1F ZINC000587893150 JF Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(N)(=O)=O)c1 ZINC000587895087 JF Annotated Mild NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(=O)(=O)Cl)c1 ZINC000587895099 JF Annotated Unstable O=C(O)CS(=O)(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895121 JF Annotated Mild NS(=O)(=O)c1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCCC(=O)N2 ZINC000587895185 JF Annotated Mild CS(=O)(=O)N1CCN(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587895394 JF Annotated Mild NS(=O)(=O)c1c(Cl)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn12 ZINC000587895527 JF Annotated Mild CON(C)S(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)c1 ZINC000587895559 JF Annotated Mild CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895854 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000587896124 JF Annotated Mild COC(=O)c1ccc(S(C)(=O)=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896165 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O ZINC000587896178 JF Annotated Mild O=C(O)CS(=O)(=O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896185 JF Annotated Mild CN(C)S(=O)(=O)c1cc(C(=O)O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896202 JF Annotated Mild COC(=O)c1cc(S(N)(=O)=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587896232 JF Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(N)(=O)=O)c1Cl ZINC000587896529 JF Annotated Mild COC(=O)CS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896617 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NS(=O)(=O)N1CCOCC1 ZINC000587896734 JF Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000587896909 JF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S(=O)(=O)Cl)OCC(=O)N2 ZINC000587896910 JF Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S(=O)(=O)Cl)NC(=O)CO2 ZINC000587896941 JF Annotated Unstable CS(=O)(=O)c1ccc(N2CCNCC2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896999 JF Annotated Mild O=C(O)CNS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587897009 JF Annotated Mild C=CCNS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)c1 ZINC000587897065 JF Annotated Mild Nn1c(SCc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nncc1=O ZINC000587897362 JF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c2c1Cl ZINC000587903071 JF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(CC(NC(C)=O)(C(=O)O)C(=O)O)c2c1 ZINC000587907087 JF Annotated Mild CCN(c1ccc(-c2csc(-c3cccnc3N3CCNC(=O)C3)n2)cc1)S(C)(=O)=O ZINC000587922336 JF Annotated Anodyne COC(=O)c1ccc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)c(O[C@H]2CCOC2)c1 ZINC000587924822 JF Annotated Bother COC(=O)c1ccc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)c(O[C@@H]2CCOC2)c1 ZINC000587924823 JF Annotated Bother COc1ccc(C[C@H](C)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1OC ZINC000587927066 JF Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1OC ZINC000587927069 JF Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587927276 JF Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587927717 JF Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587927720 JF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1OC ZINC000587936106 JF Annotated Anodyne COC(=O)c1cc(-n2c(OC)c(CC(=O)O)c(CC(=O)O)c2OC)c(Cl)cc1Br ZINC000587936528 JF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936542 JF Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc([C@@H](CC(=O)O)C(=O)O)c2O)cn1 ZINC000587936555 JF Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc([C@H](CC(=O)O)C(=O)O)c2O)cn1 ZINC000587936556 JF Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1OC ZINC000587936879 JF Annotated Anodyne COC(=O)c1cc(-n2c(O)cc([C@@H](CC(=O)O)C(=O)O)c2O)c(Cl)cc1Br ZINC000587936995 JF Annotated Anodyne COC(=O)c1cc(-n2c(O)cc([C@H](CC(=O)O)C(=O)O)c2O)c(Cl)cc1Br ZINC000587936997 JF Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cccc(Br)c2[N+](=O)[O-])c1OC ZINC000587937072 JF Annotated Bother COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cccc(Br)c2[N+](=O)[O-])c1OC ZINC000587937368 JF Annotated Bother COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cc(Br)cnc2Br)c1OC ZINC000587939026 JF Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cc3cnccc3c(Br)n2)c1OC ZINC000587939110 JF Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2c[nH]cc(Br)c2=O)c1OCC ZINC000587939227 JF Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cc3cnccc3c(Br)n2)c1OC ZINC000587939381 JF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cc3cnccc3c(Br)n2)c1OC ZINC000587939419 JF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587939649 JF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587939651 JF Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587940201 JF Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587940216 JF Annotated Bother CCOc1cc(-n2c(OC)cc(C(C(=O)OC)C(=O)OC)c2OC)c(Cl)cc1C(=O)O ZINC000587940313 JF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cc(Br)cnc1Br ZINC000587940419 JF Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1cc(Cl)cc(Br)c1 ZINC000587940944 JF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cc(Br)cnc2Br)c1OC ZINC000587940976 JF Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cc(Br)cnc2Br)c1OC ZINC000587941065 JF Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OC ZINC000587941331 JF Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OC ZINC000587941674 JF Annotated Anodyne CCOc1cc(-n2c(OC)c(CC(=O)OC)c(C(=O)OC)c2OC)c(Cl)cc1C(=O)O ZINC000587942089 JF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943625 JF Annotated Bother O=C(O)Cc1c(CC(=O)O)c(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943714 JF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945138 JF Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945660 JF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]1)(C3)C2 ZINC000587951462 JF Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000587952881 JF Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587953459 JF Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(N)ncnc3[nH]2)cc1 ZINC000587953639 JF Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(O)ncnc3[nH]2)cc1 ZINC000587953696 JF Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cnnc(O)c3[nH]2)cc1 ZINC000587953889 JF Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970388 JF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587970389 JF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@H]1C(=O)O ZINC000587970390 JF Annotated Anodyne CN(CCCC(=O)NCCO)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059047988 JF Annotated Anodyne CS(=O)(=O)c1ccc(-n2ccc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)cc1 ZINC000059067527 JF Annotated Anodyne CCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4)c(=O)c3)CC2)nc1 ZINC000059069274 JF Annotated Anodyne COc1c(-c2ccc3c(c2)CC/C3=N\NS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000059185287 JF Annotated Mild COc1c(-c2ccc3c(c2)CC[C@@H]3NNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000059185426 JF Annotated Anodyne COc1c(-c2ccc3c(c2)CC[C@H]3NNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000059185427 JF Annotated Anodyne COc1c(-c2ccc3c(c2)CC=C3CNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000059185614 JF Annotated Anodyne CC[C@H](c1nnnn1CCOC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000059531392 JF Annotated Anodyne CC[C@@H](c1nnnn1CCOC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000059531393 JF Annotated Anodyne C[C@@H](O)[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@H]3O[C@]4(O)[C@H](C)[C@@H](C)OC(=O)[C@]4(C)[C@H]3C2=CO1 ZINC000059585735 JF Annotated Mild in-vitro biogenic C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)CC/C(C)=C/[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](OC(C)=O)[C@@H]12 ZINC000059719862 JF Annotated Mild Nn1c(SCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2 ZINC000059854314 JF Annotated Anodyne COC(=O)[C@@H]1C[C@]2(C(=O)O)c3ccccc3N(OOSc3ccccc3)[C@@H]2N1C(=O)OC ZINC000059889085 JF Annotated Reactive CCOC(=O)COc1c(OC)cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1OC ZINC000006002782 JF Annotated Anodyne [N-]=[N+]=NC[C@H]1OCO[C@H](CN=[N+]=[N-])[C@@H](OCCOCCCl)[C@@H]1OCCOCCCl ZINC000006003923 JF Annotated Reactive [N-]=[N+]=NC[C@H]1OCO[C@H](CN=[N+]=[N-])[C@H]2OCCOCCOc3ccccc3OCCOCCO[C@H]12 ZINC000006003925 JF Annotated Clean C=CCN(c1cc(O)c2c(c(C)cn2S(=O)(=O)c2ccccc2)c1[N+](=O)[O-])S(C)(=O)=O ZINC000006004764 JF Annotated Mild CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000006006433 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000006006434 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000006006437 JF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000006006439 JF Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]1CC[C@H](OC(C)=O)[C@@]21CO1 ZINC000006006780 JF Annotated Anodyne N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 ZINC000006007120 JF Annotated Reactive O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009771 JF Annotated Reactive O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009772 JF Annotated Reactive O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009773 JF Annotated Reactive O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009774 JF Annotated Reactive O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009778 JF Annotated Anodyne NN/C(=N\S(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1)Nc1ccc(Cl)cc1 ZINC000006010076 JF Annotated Mild C[C@@H]1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2S)=NN1 ZINC000006013600 JF Annotated Anodyne COC(=O)C1=C(C(=O)OC)SC2(S1)C1=C(CCC1)SC(C(=O)OC)=C2C(=O)OC ZINC000006019717 JF Annotated Anodyne COC(=O)C1=C(C(=O)OC)SC2(S1)C1=C(CCCC1)SC(C(=O)OC)=C2C(=O)OC ZINC000006019718 JF Annotated Anodyne O=C1/C(=N\NC(=S)Nc2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc2N1CN1CCOCC1 ZINC000006040962 JF Annotated Mild CCc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC[C@H]4CCCO4)c(=O)c3c2)cc1 ZINC000006181200 JF Annotated Anodyne CCc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC[C@@H]4CCCO4)c(=O)c3c2)cc1 ZINC000006181201 JF Annotated Anodyne CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(/C(O)=N/CCN(C)C)c(=O)c2c1 ZINC000006181345 JF Annotated Mild CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCOC)c(=O)c2c1 ZINC000006296524 JF Annotated Anodyne CCOC(=O)C1=c2c(=Cc3ccccc3OC)c(N)c(C#N)n2C(=O)[C@H](c2ccccc2OC)S1 ZINC000006458388 JF Annotated Anodyne aggregator CCOC(=O)C1=c2c(=Cc3ccccc3OC)c(N)c(C#N)n2C(=O)[C@@H](c2ccccc2OC)S1 ZINC000006458389 JF Annotated Anodyne aggregator Cc1occc1[C@H]1CC[C@H]2[C@@H](CC=C3C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@H](O)C[C@@]32C)C1=O ZINC000060003413 JF Annotated Anodyne COc1cc([C@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](CO)[C@@H]2COC(C)=O)cc(OC)c1O ZINC000060288628 JF Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H](C1CC1)N1C(=O)CN(CC3CC3)C(=O)[C@@]21Cc1ccccc1 ZINC000061688085 JF Annotated Anodyne Cc1[nH]c(C(=O)N/N=C\c2ccc(C(=O)O)cc2)c(C)c1C(=O)N/N=C\c1ccc(C(=O)O)cc1 ZINC000061695551 JF Annotated Reactive Cc1[nH]c(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c(C)c1C(=O)N/N=C\c1ccc(C(=O)O)cc1 ZINC000061695552 JF Annotated Reactive Cc1[nH]c(C(=O)N/N=C\c2ccc(C(=O)O)cc2)c(C)c1C(=O)N/N=C/c1ccc(C(=O)O)cc1 ZINC000061695553 JF Annotated Reactive COc1ccc(CCn2nnnc2[C@H](CC(C)C)N2CCN(c3ncccn3)CC2)cc1OC ZINC000061855075 JF Annotated Anodyne COc1ccc(CCn2nnnc2[C@@H](CC(C)C)N2CCN(c3ncccn3)CC2)cc1OC ZINC000061855076 JF Annotated Anodyne C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OCC(N)=O)cc1 ZINC000061887354 JF Annotated Reactive CC(=O)Nc1ccc(CN(C)c2c(C)nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cn23)cc1 ZINC000061895417 JF Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cn1 ZINC000061895558 JF Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1 ZINC000061895771 JF Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1 ZINC000061895772 JF Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cn2c1N(C)Cc1nccn1C ZINC000061895942 JF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061897406 JF Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061897407 JF Annotated Mild CCc1nc2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061897589 JF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061897591 JF Annotated Anodyne CN1CCN(c2ccc(CNC(=O)[C@@]3(C)Cc4c(-c5ccc(C(N)=O)cc5)ccnc4O3)cc2)CC1 ZINC000061898151 JF Annotated Clean CN1CCN(c2ccc(CNC(=O)[C@]3(C)Cc4c(-c5ccc(C(N)=O)cc5)ccnc4O3)cc2)CC1 ZINC000061898158 JF Annotated Clean C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061898722 JF Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061898723 JF Annotated Mild CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(C)Cc1nccn1C ZINC000061902251 JF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)CCc1cccs1 ZINC000061902471 JF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)CCc1cccs1 ZINC000061902472 JF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061902912 JF Annotated Anodyne CCCCN(C=O)c1c(CC)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn12 ZINC000061903775 JF Annotated Anodyne Cc1c(C(=O)NCc2cccs2)sc(=O)n1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000061904512 JF Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(CC)CCOC ZINC000061904631 JF Annotated Anodyne Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(Br)cc1 ZINC000061904716 JF Annotated Anodyne Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(Br)cc1 ZINC000061904717 JF Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccc(C(F)(F)F)nc2C)cc1 ZINC000061906413 JF Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccc(C(F)(F)F)nc2C)cc1 ZINC000061906414 JF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061906426 JF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061906427 JF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn2c1N(CC)C(=O)NCCc1ccccc1 ZINC000061906665 JF Annotated Anodyne CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn12 ZINC000061907283 JF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(CC)CCOC ZINC000061907336 JF Annotated Anodyne Cc1noc(C)c1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061907631 JF Annotated Anodyne Cc1noc(C)c1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000061907632 JF Annotated Anodyne CCNC(=O)N(C)c1c(CC)nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn12 ZINC000061908046 JF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(F)cc1 ZINC000061920935 JF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(F)cc1 ZINC000061920936 JF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920991 JF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920992 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2cccn2C)C1=O ZINC000061921186 JF Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccco2)C1=O ZINC000061921196 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(CC2CCCCC2)C1=O ZINC000061921203 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(Cc2ccc(OC)cc2)C1=O ZINC000061921207 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(Cc2ccc(F)cc2)C1=O ZINC000061921208 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(Cc2ccc(C)cc2)C1=O ZINC000061921210 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2ccc(OC)cc2)C1=O ZINC000061921230 JF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921711 JF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921712 JF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921719 JF Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921720 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000061921738 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000061921739 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(Br)ccc2S1(=O)=O ZINC000061921746 JF Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921925 JF Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921927 JF Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3cccs3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921959 JF Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3cccs3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921961 JF Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn3c2c(=O)[nH]c2ccc(Br)cc23)CC1 ZINC000061922162 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000061922323 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(Br)ccc2S1(=O)=O ZINC000061922325 JF Annotated Anodyne CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000061922529 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000061922761 JF Annotated Mild COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000061922776 JF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061922799 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000061922800 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@H](CC(=O)NCc2cccs2)C1 ZINC000061922917 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@@H](CC(=O)NCc2cccs2)C1 ZINC000061922919 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@H](CC(=O)NC2CCCCC2)C1 ZINC000061922922 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)[C@@H](CC(=O)NC2CCCCC2)C1 ZINC000061922925 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NCCN2CCOCC2)C1 ZINC000061923426 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NCCN2CCOCC2)C1 ZINC000061923427 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NCCCN(C)C)C1 ZINC000061923500 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NCCCN(C)C)C1 ZINC000061923501 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NCCCN(C)C)C1 ZINC000061923555 JF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NCCCN(C)C)C1 ZINC000061923556 JF Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)S(=O)(=O)c1ccccc1 ZINC000061924220 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccc(C(F)(F)F)nc2C)cc1 ZINC000061925594 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccc(C(F)(F)F)nc2C)cc1 ZINC000061925595 JF Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(F)(F)F)nc1C ZINC000061925659 JF Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(F)(F)F)nc1C ZINC000061925660 JF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)c1cccc(F)c1 ZINC000061925715 JF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)c1cccc(F)c1 ZINC000061925716 JF Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2sc(C3=C[C@@H](O)[C@@H](O)[C@@H](CO)O3)nc2c1 ZINC000061926093 JF Annotated Anodyne CC(=O)Oc1ccc(Cn2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2=O)cc1 ZINC000061926288 JF Annotated Anodyne COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3S(=O)(=O)c3cn(C)cn3)on2)c(C)c1 ZINC000061926295 JF Annotated Anodyne COc1ccc(NC(=O)c2cc([C@H]3CCCCN3S(=O)(=O)c3cn(C)cn3)on2)c(C)c1 ZINC000061926296 JF Annotated Anodyne CC(=O)Nc1ccc(CN(C)c2c(C)nc3ccc(C(=O)NCCCN4CCCC4=O)cn23)cc1 ZINC000061926476 JF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(C)Cc1cccs1 ZINC000061926752 JF Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)NC(=O)Cn1nnc(COc2ccc3c(c2)CCCC3)c1C ZINC000061927301 JF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000061927489 JF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000061927491 JF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061927656 JF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Br)cc2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061927658 JF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061927742 JF Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061927744 JF Annotated Mild OC[C@@H]1CN(Cc2cccs2)C[C@H](n2cnc3c(N4CCN(c5ccccc5)CC4)ncnc32)O1 ZINC000061927760 JF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(OC)ccc2Br)C1 ZINC000061929107 JF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(OC)ccc2Br)C1 ZINC000061929108 JF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(C)C(=O)C1CCCCC1 ZINC000061929410 JF Annotated Anodyne Cc1c(C(=O)NCc2ccc3c(c2)OCCO3)sc(=O)n1Cc1ccc(C(=O)N(C)C)cc1 ZINC000061929672 JF Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(F)cc1F ZINC000061930721 JF Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(F)cc1F ZINC000061930723 JF Annotated Anodyne CCCCN1CC(=O)N2[C@@H]3c4cc(Br)ccc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O ZINC000061931368 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@H]2N2C(=O)CN(Cc3ccccc3)C(=O)[C@@]12C ZINC000061931373 JF Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N/Cc1ccccc1 ZINC000061942174 JF Annotated Mild CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N/C1CCCCC1 ZINC000061942188 JF Annotated Mild C=C1CC[C@H]2[C@](C)(/C=C/[C@@H](O)C(C)(C)O)CCC[C@]2(C)[C@H]1CC(=O)NCCS(=O)(=O)O ZINC000061942291 JF Annotated Mild C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(N4CCN(C)CC4)cc3[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000061942422 JF Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(N4CCOCC4)cc3[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000061942576 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(N2CCOCC2)c1 ZINC000061942634 JF Annotated Anodyne CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(Cl)(Cl)C(=O)N4)CC2)cc1 ZINC000061943377 JF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccccc3)N1[C@@]2(Cc1ccccc1)C(=O)OC ZINC000061944577 JF Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C)cc3)N21 ZINC000061944589 JF Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C#N)cc3)N21 ZINC000061944641 JF Annotated Mild COC(=O)[C@@]1(C)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCc3ccccc3)N21 ZINC000061944647 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000061945537 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000061945542 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2C(F)(F)F)OCc2cnnn2CCCC1=O ZINC000061946082 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000061946249 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCc2cnnn2CCCC1=O ZINC000061946298 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000061946310 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000061946319 JF Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCCN(C)C)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946976 JF Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCCCN(C)C)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946977 JF Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCCOC)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946978 JF Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCCCOC)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000061946979 JF Annotated Anodyne CC(C)(C)NC(=O)C[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000061946994 JF Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000061946995 JF Annotated Anodyne COCCCNC(=O)C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000061947004 JF Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000061947005 JF Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)Nc2ccc(C)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000061947115 JF Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(C)cc1 ZINC000061947130 JF Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)Nc2ccc(Cl)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000061947170 JF Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)C1CCCCC1 ZINC000061947190 JF Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)c1ccc(C)cc1 ZINC000061947193 JF Annotated Anodyne O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)N[C@H](CO)Cc1cc2ccccc2[nH]1 ZINC000061947320 JF Annotated Anodyne CS(=O)(=O)c1ccc(-c2sc3cc4c(cc3c2C(=O)NN2CCOCC2)OCO4)cc1 ZINC000061948020 JF Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)NCCO ZINC000061948338 JF Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)O[C@H](c2ccccc2)CNC1=O)NCCO ZINC000061948358 JF Annotated Anodyne O=C(C[C@H]1C/C=C\CCCCC(=O)OC[C@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000061948418 JF Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000061948468 JF Annotated Anodyne CC(C)(C)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000061948556 JF Annotated Anodyne O=C(C[C@@H]1C/C=C\CCC(=O)OC[C@H](Cc2ccccc2)NC1=O)N[C@@H](CO)Cc1ccccc1 ZINC000061948571 JF Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)NCCO ZINC000061948595 JF Annotated Anodyne CC(C)(C)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000061948606 JF Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000061948614 JF Annotated Anodyne C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@H](C)NC(=O)[C@H](CC=C)CC(=O)NCCO ZINC000061948651 JF Annotated Mild C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](C)NC(=O)[C@H](CC=C)CC(=O)NCCO ZINC000061948662 JF Annotated Mild O=C(NCCc1ccccc1)c1cccc2c1C(=O)c1ccc(N3CCOCC3)cc1S2(=O)=O ZINC000061948766 JF Annotated Anodyne CN1CCC[C@@H]1CCNC(=O)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948773 JF Annotated Anodyne CC(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000061948803 JF Annotated Anodyne CC(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000061948808 JF Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061949089 JF Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000061949099 JF Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccccc1 ZINC000061949105 JF Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccc(Cl)cc1 ZINC000061949118 JF Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]31)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000061949146 JF Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Cl)cc1 ZINC000061949172 JF Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000061949178 JF Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061949200 JF Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000061949205 JF Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000061949210 JF Annotated Anodyne CCCN1[C@H](C)C(C(=O)OCC)=CN(Cc2cccc(I)c2)S1(=O)=O ZINC000061958956 JF Annotated Anodyne CCCN1[C@@H](C)C(C(=O)OCC)=CN(Cc2cccc(I)c2)S1(=O)=O ZINC000061958957 JF Annotated Anodyne Cn1c(=O)nc(O)c2c1nc(N=Nc1c(O)[nH]c3ccccc13)n2C[C@@H](O)COc1ccccc1 ZINC000617980745 JF Annotated Clean Cn1c(=O)nc(O)c2c1nc(N=Nc1c(O)[nH]c3ccccc13)n2C[C@H](O)COc1ccccc1 ZINC000617980746 JF Annotated Clean CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(OC)c1 ZINC000618001760 JF Annotated Anodyne C=C1C[C@@H]2[C@]3(C)C=CC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C ZINC000618006281 JF Annotated Mild C=C1C[C@@H]2[C@]3(C)C=CC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@]12C ZINC000618006285 JF Annotated Mild C=C1C[C@@H]2[C@]3(C)C=CC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C ZINC000618006286 JF Annotated Mild C=C1C[C@@H]2[C@]3(C)C=CC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@]12C ZINC000618006287 JF Annotated Mild COc1ccc(F)cc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1cccnc1 ZINC000618007563 JF Annotated Reactive C[C@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1cccnc1)c1ccc(O)cc1 ZINC000618007601 JF Annotated Reactive C[C@@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1cccnc1)c1ccc(O)cc1 ZINC000618007602 JF Annotated Reactive C[C@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccccn1)c1ccc(O)cc1 ZINC000618007692 JF Annotated Reactive C[C@@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccccn1)c1ccc(O)cc1 ZINC000618007694 JF Annotated Reactive Cc1nc(-c2cccnc2)sc1C(=O)N1CCC(C(=O)NCCSSCCN)CC1 ZINC000618007715 JF Annotated Reactive CC1=NN(c2ccc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)cc2)C(=O)C1 ZINC000618007796 JF Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000618007804 JF Annotated Reactive COc1ccc(OC)c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618007819 JF Annotated Reactive COc1ccc(OC)c(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618007820 JF Annotated Reactive COc1ccc(F)cc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1 ZINC000618007821 JF Annotated Reactive CC1=NN(c2ccc(C(=O)N3CCC(C(=O)NCCSSCCN(C)C)CC3)cc2)C(=O)C1 ZINC000618007841 JF Annotated Reactive COc1ccc(OC)c(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1 ZINC000618007846 JF Annotated Reactive CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618007864 JF Annotated Reactive CC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618007865 JF Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)c2ccsc2Br)CC1 ZINC000618007898 JF Annotated Reactive C[C@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1)c1ccc(O)cc1 ZINC000618007899 JF Annotated Reactive C[C@@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1)c1ccc(O)cc1 ZINC000618007900 JF Annotated Reactive COc1cc(F)ccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccccn1 ZINC000618007909 JF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000618007923 JF Annotated Reactive COc1ccc(C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc2ccncc2)c(C)c1 ZINC000618008115 JF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ncccc2Br)CC1 ZINC000618008120 JF Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O ZINC000618008144 JF Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000618008181 JF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000618008184 JF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000618008185 JF Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000618008186 JF Annotated Reactive CC(=O)Oc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618008200 JF Annotated Reactive CC(=O)Oc1cccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 ZINC000618008202 JF Annotated Reactive COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1 ZINC000618008203 JF Annotated Reactive CCSc1ncccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1 ZINC000618008256 JF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000618008383 JF Annotated Reactive COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c(OC)c1OC ZINC000618008477 JF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000618008603 JF Annotated Reactive COc1cc(CC(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc(OC)c1OC ZINC000618008705 JF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000618008903 JF Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000618009123 JF Annotated Reactive COc1ccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c(OC)c1OC ZINC000618009289 JF Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5c([nH]4)CCNC5)c3)CC2)CC1 ZINC000618009295 JF Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)OCc2ccccc2)C1 ZINC000618009323 JF Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000618009341 JF Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3nc4c(c(NCc5ccccc5)n3)CCCC4)CC2)CC1 ZINC000618009395 JF Annotated Anodyne COc1ccc(C(=O)OCCc2cn(CCSSCCN(C)C)nn2)cc1[N+](=O)[O-] ZINC000618009463 JF Annotated Reactive Cc1c(Cl)cccc1S(=O)(=O)NCc1cn(CCSSCCN(C)C)nn1 ZINC000618009599 JF Annotated Reactive COc1ccc(C(=O)OCCc2cn(CCCSSCCN(C)C)nn2)cc1[N+](=O)[O-] ZINC000618009996 JF Annotated Reactive CN(C)CCSSCCCn1cc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)nn1 ZINC000618010531 JF Annotated Reactive COCCN(CC(=O)Nc1cccc(C)c1C)C[C@@H]1NC(=O)[C@@H]2[C@H](N1)SC[C@@H]2c1cccs1 ZINC000618012498 JF Annotated Anodyne COCCN(CC(=O)Nc1cccc(C)c1C)C[C@@H]1NC(=O)[C@@H]2[C@@H](N1)SC[C@@H]2c1cccs1 ZINC000618012499 JF Annotated Anodyne COCCN(CC(=O)Nc1cccc(C)c1C)C[C@@H]1NC(=O)[C@H]2[C@H](c3cccs3)CS[C@H]2N1 ZINC000618012500 JF Annotated Anodyne COCCN(CC(=O)Nc1cccc(C)c1C)C[C@@H]1NC(=O)[C@@H]2[C@@H](N1)SC[C@H]2c1cccs1 ZINC000618012501 JF Annotated Anodyne O=C(O)c1ccc2c(=O)n(Cc3ccccc3)c(SC[C@@H]3NC(=O)[C@H]4CCCC[C@@H]4N3)nc2c1 ZINC000618012907 JF Annotated Anodyne O=C(O)c1ccc2c(=O)n(Cc3ccccc3)c(SC[C@@H]3NC(=O)[C@H]4CCCC[C@H]4N3)nc2c1 ZINC000618012908 JF Annotated Anodyne O=C(O)c1ccc2c(=O)n(Cc3ccccc3)c(SC[C@@H]3NC(=O)[C@@H]4CCCC[C@@H]4N3)nc2c1 ZINC000618012909 JF Annotated Anodyne O=C(O)c1ccc2c(=O)n(Cc3ccccc3)c(SC[C@@H]3NC(=O)[C@@H]4CCCC[C@H]4N3)nc2c1 ZINC000618012910 JF Annotated Anodyne C[C@H]1[C@H]2C(=O)N[C@H](CSc3nnc(-c4ccco4)n3Cc3ccccc3)N[C@H]2S[C@H]1C(=O)O ZINC000618013027 JF Annotated Anodyne C[C@@H]1[C@H](C(=O)O)S[C@@H]2N[C@H](CSc3nnc(-c4ccco4)n3Cc3ccccc3)NC(=O)[C@H]21 ZINC000618013033 JF Annotated Anodyne C[C@H]1[C@H]2C(=O)N[C@@H](CSc3nnc(-c4ccco4)n3Cc3ccccc3)N[C@H]2S[C@H]1C(=O)O ZINC000618013036 JF Annotated Anodyne C[C@@H]1[C@H](C(=O)O)S[C@@H]2N[C@@H](CSc3nnc(-c4ccco4)n3Cc3ccccc3)NC(=O)[C@H]21 ZINC000618013038 JF Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000618013122 JF Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000618013124 JF Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000618013125 JF Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000618013126 JF Annotated Anodyne O=C1N=c2ccc(NC(=O)CSc3nnc(N4CCCC4)n3-c3cccc(Cl)c3)cc2=N1 ZINC000618013562 JF Annotated Anodyne COCCN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1 ZINC000618014312 JF Annotated Anodyne COCCN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1 ZINC000618014313 JF Annotated Anodyne COCCN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1 ZINC000618014314 JF Annotated Anodyne Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)CC[C@@H]4[C@H](C)NC(=O)[C@@H](C#N)[C@@H]4C)CC3)n2)cc1 ZINC000618014987 JF Annotated Mild Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)CC[C@@H]4[C@H](C)NC(=O)[C@H](C#N)[C@@H]4C)CC3)n2)cc1 ZINC000618014988 JF Annotated Mild Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)CC[C@@H]4[C@H](C)NC(=O)[C@@H](C#N)[C@H]4C)CC3)n2)cc1 ZINC000618014989 JF Annotated Mild Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)CC[C@@H]4[C@H](C)NC(=O)[C@H](C#N)[C@H]4C)CC3)n2)cc1 ZINC000618014990 JF Annotated Mild CCN(C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000618015178 JF Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000618015179 JF Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000618015180 JF Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000618015181 JF Annotated Anodyne N#Cc1ccc(/C=C/C(=O)N(C2CCCC2)[C@H]2C(=O)NC(=O)N(Cc3ccccc3)[C@@H]2N)cc1 ZINC000618016127 JF Annotated Mild N#Cc1ccc(/C=C/C(=O)N(C2CCCC2)[C@H]2C(=O)NC(=O)N(Cc3ccccc3)[C@H]2N)cc1 ZINC000618016128 JF Annotated Mild O=C(C1CCC(CN2C(=O)N[C@H]3CCS[C@H]3C2=O)CC1)N1CCN(c2ccccc2F)CC1 ZINC000618016514 JF Annotated Anodyne O=C(C1CCC(CN2C(=O)N[C@@H]3CCS[C@H]3C2=O)CC1)N1CCN(c2ccccc2F)CC1 ZINC000618016524 JF Annotated Anodyne O=C(C1CCC(CN2C(=O)N[C@H]3CCS[C@@H]3C2=O)CC1)N1CCN(c2ccccc2F)CC1 ZINC000618016525 JF Annotated Anodyne O=C(C1CCC(CN2C(=O)N[C@@H]3CCS[C@@H]3C2=O)CC1)N1CCN(c2ccccc2F)CC1 ZINC000618016526 JF Annotated Anodyne Cc1ncsc1C(=O)N1CCC2(C/C=C/COc3ccccc3C(=O)NCCNC2=O)CC1 ZINC000618016958 JF Annotated Anodyne O=C1CN(C(=O)CN2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c2ccccc2N1 ZINC000618016965 JF Annotated Anodyne O=C1CN(C(=O)CN2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c2ccccc2N1 ZINC000618016968 JF Annotated Anodyne O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccnc(N3CCOCC3)n2)N1Cc1ccccc1F ZINC000618016996 JF Annotated Anodyne C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)CCN3C(=O)COCC3=O)[C@H]1CCCCC(=O)N2 ZINC000618017004 JF Annotated Anodyne COc1ccccc1CN(C)[C@H]1[C@H](NC(=O)c2cn(C)cn2)C[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000618017066 JF Annotated Anodyne CC(C)C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2cc[nH]n2)CC(=O)N1 ZINC000618017151 JF Annotated Anodyne C[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H](C(=O)NCCSSCCN(C)C)O1 ZINC000618017606 JF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000618017701 JF Annotated Reactive CC(=O)NCCCCCC(=O)NC[C@@]1(O)C[C@H](c2ccccc2)C[C@@H](O)C[C@H](C)CC[C@H]1O ZINC000618018157 JF Annotated Anodyne O=C(c1cc(-c2cccnc2)[nH]n1)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 ZINC000618018207 JF Annotated Anodyne O=C(c1cc(-c2cccnc2)[nH]n1)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 ZINC000618018211 JF Annotated Anodyne Cc1n[nH]c(C)c1CCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](C)NC(=O)C1 ZINC000618018346 JF Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc(-n3cncn3)cc2)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225053 JF Annotated Anodyne Cn1nnc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCN(C4CCC4)CC3)ccc21 ZINC000062225173 JF Annotated Anodyne CCc1ccccc1-n1c(C)c(Br)n2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 ZINC000621431757 JF Annotated Anodyne CCc1ccccc1-n1c(C)c(Br)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 ZINC000621431758 JF Annotated Anodyne Cc1nnc([C@@H](C)n2c(=O)c3c(nc4n(-c5ccccc5OC(F)(F)F)c(C)cn34)n(C)c2=O)o1 ZINC000621431799 JF Annotated Anodyne Cc1nnc([C@H](C)n2c(=O)c3c(nc4n(-c5ccccc5OC(F)(F)F)c(C)cn34)n(C)c2=O)o1 ZINC000621431800 JF Annotated Anodyne Cc1noc([C@@H](C)n2c(=O)c3c(nc4n(-c5ccccc5OC(F)(F)F)c(C)cn34)n(C)c2=O)n1 ZINC000621431831 JF Annotated Anodyne Cc1noc([C@H](C)n2c(=O)c3c(nc4n(-c5ccccc5OC(F)(F)F)c(C)cn34)n(C)c2=O)n1 ZINC000621431832 JF Annotated Anodyne Cc1cc(Cn2c(=O)c3c(nc4n(-c5ccccc5OC(F)(F)F)c(C)cn34)n(C)c2=O)on1 ZINC000621431875 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000621439963 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000621439964 JF Annotated Anodyne Cc1noc([C@@H](C)n2c(=O)c3c(nc4n(-c5ccccc5CC(F)(F)F)c(C)cn34)n(C)c2=O)n1 ZINC000621443146 JF Annotated Anodyne Cc1noc([C@H](C)n2c(=O)c3c(nc4n(-c5ccccc5CC(F)(F)F)c(C)cn34)n(C)c2=O)n1 ZINC000621443147 JF Annotated Anodyne O=C(CNC(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1)COc1c(F)c(F)cc(F)c1F ZINC000621477754 JF Annotated Anodyne COc1ccc(S(=O)(=O)Nc2c(C(=O)N3CCN(c4ncccn4)CC3)oc3ccccc23)cc1 ZINC000621478536 JF Annotated Anodyne COc1ccc(Cl)cc1C(=O)N1CC(C(=O)NCC(=O)COc2c(F)c(F)cc(F)c2F)C1 ZINC000621485841 JF Annotated Anodyne COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=N\N3CC(=O)NC3=O)CC(C)C)oc12 ZINC000064245802 JF Annotated Mild Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C\c1ccc(F)c(Br)c1 ZINC000064251870 JF Annotated Reactive CCN[C@@H]1CN(c2nc(N3CCc4ccccc4C3)nc(N3CCc4ccccc4C3)n2)CCO1 ZINC000064252068 JF Annotated Anodyne CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C[C@]1(C)CN ZINC000064373248 JF Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(C)=O)C[C@@]1(C)CN ZINC000064373324 JF Annotated Mild CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(C)=O)C[C@]1(C)CN ZINC000064373325 JF Annotated Mild CCn1cc(C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)c(=O)c2ccc(C)nc21 ZINC000064415745 JF Annotated Reactive CCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2cc(Br)ccc21 ZINC000064415746 JF Annotated Reactive CCn1cc(C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)c(=O)c2ccc(C)nc21 ZINC000064417178 JF Annotated Reactive O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C2=NS(=O)(=O)c3ccccc3N2c2ccccc2)CC1 ZINC000064417390 JF Annotated Bother CCN(CC)CN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21 ZINC000064426324 JF Annotated Reactive COc1cc([C@H]2Oc3c(OC)c([N+](=O)[O-])c4ccc(=O)oc4c3O[C@@H]2CO)c([N+](=O)[O-])cc1OC ZINC000064447078 JF Annotated Bother CCOP(=O)(OCC)[C@H](C(=O)OC)c1cc2c(s1)=C(C)O[P@@](=O)(OCC)C=2C(=O)OC ZINC000064448259 JF Annotated Anodyne CCOP(=O)(OCC)[C@H](C(=O)OC)c1cc2c(s1)=C(C)O[P@](=O)(OCC)C=2C(=O)OC ZINC000064448261 JF Annotated Anodyne CCOP(=O)(OCC)[C@@H](C(=O)OC)c1cc2c(s1)=C(C)O[P@@](=O)(OCC)C=2C(=O)OC ZINC000064448262 JF Annotated Anodyne CCOP(=O)(OCC)[C@@H](C(=O)OC)c1cc2c(s1)=C(C)O[P@](=O)(OCC)C=2C(=O)OC ZINC000064448264 JF Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)[C@@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1C ZINC000064453956 JF Annotated Anodyne CCOC(=O)Cn1nc(Cc2ccc(Cl)cc2)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1=O ZINC000064454162 JF Annotated Anodyne COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C[C@H]2OC[C@@H](NC(=O)Cc3ccccc3)[C@@H](C)O2)N1 ZINC000064491746 JF Annotated Anodyne N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2C2CCOCC2)c1 ZINC000064504080 JF Annotated Mild COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C[C@H]2OC[C@@H](NC(=O)Cc3ccccc3)[C@@H](C)O2)N1 ZINC000064510627 JF Annotated Anodyne N=C(N)COc1cccc(CN2C(=O)[C@@H]3CC=C[C@H](NC(=O)c4ccc(Cl)s4)[C@@H]3C2=O)c1 ZINC000064512722 JF Annotated Anodyne N=C(N)COc1cccc(CN2C(=O)[C@@H]3CC=C[C@@H](NC(=O)c4ccc(Cl)s4)[C@@H]3C2=O)c1 ZINC000064512725 JF Annotated Anodyne COc1cc(C(=O)c2ccc(-c3csc(NC(=O)CN)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064513115 JF Annotated Anodyne CN1CCN(C/C=C/C(=O)N2CCc3c(sc4ncnc(N[C@H](CO)c5ccccc5)c34)C2)CC1 ZINC000064513217 JF Annotated Anodyne CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(-n3cccn3)c2)CCOCC1 ZINC000064513461 JF Annotated Anodyne Nc1nc(=O)[nH]c2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000064527807 JF Annotated Anodyne CCCCOC(=O)c1ccccc1O[P@@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064528157 JF Annotated Anodyne CCCCOC(=O)c1ccccc1O[P@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064528158 JF Annotated Anodyne CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](CO)Cc4ccccc4)c23)C1 ZINC000064528484 JF Annotated Anodyne O=C(/C=C/CN1CCOCC1)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1 ZINC000064539046 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2cccs2)c1 ZINC000064540504 JF Annotated Mild Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccoc2)c1 ZINC000064548746 JF Annotated Mild Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccco2)c1 ZINC000064548927 JF Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1C(=O)OC[C@H]1OC(=O)CCCC(=O)O ZINC000064550109 JF Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1C(=O)OC[C@H]1OC(=O)CCCC(=O)O ZINC000064550110 JF Annotated Mild O=C(NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000064564619 JF Annotated Anodyne O=C(NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000064564621 JF Annotated Anodyne O=C(NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000064564830 JF Annotated Anodyne O=C(NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000064564832 JF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC(=O)O ZINC000064573724 JF Annotated Mild Cn1ccnc1C(=O)NCC(C)(C)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064573799 JF Annotated Anodyne CCOCCCn1c(/N=C(\O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21 ZINC000064746251 JF Annotated Mild COc1cc(OC)c(/C=N/c2c(C#N)nc(O)nc2NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000064755221 JF Annotated Mild CCOC(=O)C1CCC(CNC(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1 ZINC000064957047 JF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NC[C@H]1COc3ccccc3O1)[C@@H](c1cccnc1)N(C)C2=O ZINC000006576653 JF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1COc3ccccc3O1)[C@@H](c1cccnc1)N(C)C2=O ZINC000006576654 JF Annotated Anodyne COc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000006577443 JF Annotated Anodyne Cn1c(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cc2sccc21 ZINC000006577454 JF Annotated Anodyne Cn1c(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cc2sccc21 ZINC000006577455 JF Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)CC2)c1 ZINC000006577514 JF Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)CC2)c1 ZINC000006577515 JF Annotated Anodyne COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000006577904 JF Annotated Anodyne CCOCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000006578192 JF Annotated Anodyne N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)cn2)c1F ZINC000006733346 JF Annotated Anodyne CN1CCC[C@@H]1CCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000653619328 JF Annotated Anodyne CN1CCC[C@H]1CCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000653619331 JF Annotated Anodyne Cc1cccnc1-c1ccc2c(c1)CC[C@H](CNS(C)(=O)=O)N2C(=O)c1ccc(O)cc1O ZINC000653663462 JF Annotated Anodyne Cc1cccnc1-c1ccc2c(c1)CC[C@@H](CNS(C)(=O)=O)N2C(=O)c1ccc(O)cc1O ZINC000653663468 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CCC4(COC4)C3)n2)cc1OC(F)F ZINC000653664344 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@H]3C(F)(F)C4)n2)cc1OC(F)F ZINC000653665390 JF Annotated Anodyne Cn1ccnc1N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653667548 JF Annotated Anodyne C[C@@H]1N(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CCC1(F)F ZINC000653667579 JF Annotated Anodyne C[C@H]1N(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CCC1(F)F ZINC000653667580 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@H]3CC4(F)F)n2)cc1OC(F)F ZINC000653671257 JF Annotated Anodyne Nc1ncc(-c2cc(N3CC(n4cccn4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653671258 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CC(F)(F)[C@H]4C3)n2)cc1OC(F)F ZINC000653671281 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4[C@H](C3)CC4(F)F)n2)cc1OC(F)F ZINC000653671282 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4CC(F)(F)[C@H]4C3)n2)cc1OC(F)F ZINC000653671283 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CC(F)(F)[C@@H]4C3)n2)cc1OC(F)F ZINC000653671284 JF Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4OC[C@H]3[C@H]4F)n2)C1 ZINC000653678262 JF Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4OC[C@H]3[C@@H]4F)n2)C1 ZINC000653678263 JF Annotated Anodyne Nc1ncc(-c2cc(N3CC[C@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653678274 JF Annotated Anodyne COc1ccc(CN2CCN(c3nc4cnc(N5CCOCC5)cc4nc3NC3CC3)CC2)c(F)c1 ZINC000653678358 JF Annotated Anodyne COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(C2CC2)n1 ZINC000653679371 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)C3)n2)cc1OC(F)F ZINC000653680475 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)CC3)n2)cc1OC(F)F ZINC000653685077 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OCC(F)(F)F ZINC000653686460 JF Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCCCC4=O)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653686481 JF Annotated Anodyne C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2cc3c(cc21)-c1cc(OC)cc(OC)c1CO3 ZINC000653687099 JF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2cc3c(cc21)-c1cc(OC)cc(OC)c1CO3 ZINC000653687100 JF Annotated Mild CC(=O)c1ccc(CCN2NC(Nc3ccccc3)=C3C(=O)N(C)C4=N[C@@H]5CCC[C@@H]5N4[C@H]32)cc1 ZINC000653689972 JF Annotated Anodyne CC(=O)c1ccc(CCN2NC(Nc3ccccc3)=C3C(=O)N(C)C4=N[C@@H]5CCC[C@@H]5N4[C@@H]32)cc1 ZINC000653689973 JF Annotated Anodyne COc1ccc(-c2cn(C)c(=O)c3cc(/C(N)=N/C4CCS(=O)(=O)CC4)sc23)cc1OC ZINC000653689982 JF Annotated Mild COc1cc([C@@H]2c3c(c4cccnc4c4ncccc34)N[C@@]3(O)COC(=O)[C@H]23)cc2c1OCO2 ZINC000653690012 JF Annotated Bother CN(C)c1cccc(-c2cn(C)c(=O)c3cc(/C(N)=N/C4CCS(=O)(=O)CC4)sc23)c1 ZINC000653692034 JF Annotated Mild Cc1cc(C)c(CNC(=O)c2cc(Br)nc3c2cnn3C2CCNCC2)c(O)n1 ZINC000653693890 JF Annotated Anodyne COC(=O)CC[C@@H](CP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)C(=O)OC ZINC000653697629 JF Annotated Anodyne COC(=O)CC[C@H](CP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)C(=O)OC ZINC000653697630 JF Annotated Anodyne COC(=O)[C@H](CCC(=O)O)CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000653697648 JF Annotated Anodyne COC(=O)[C@@H](CCC(=O)O)CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000653697649 JF Annotated Anodyne O=C(CC1CC1)Nc1nnc(OC2CCN(c3nnc(NC(=O)CC4CC4)s3)CC2)s1 ZINC000653697664 JF Annotated Anodyne O=C(O)CCNc1nc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(-n2ccnn2)n1 ZINC000653709701 JF Annotated Anodyne CN1C(C(=O)/C=C/c2cn(CC(=O)Nc3cccc(Cl)c3)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653715472 JF Annotated Mild COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC[C@@](C)(O)C5)cc4)C3)o2)cc1 ZINC000653718467 JF Annotated Anodyne COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC[C@](C)(O)C5)cc4)C3)o2)cc1 ZINC000653718468 JF Annotated Anodyne COc1ccc2cc([C@@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c3nnnn3c2c1 ZINC000653718816 JF Annotated Mild COc1ccc2cc([C@H]3C4=C(CC(C)(C)CC4=O)n4c(=O)c5ccccc5c(=O)n43)c3nnnn3c2c1 ZINC000653718817 JF Annotated Mild C#CCCn1cc(Nc2nc(OC[C@H]3CN(C(=O)C=C)C[C@@H]3OC)c3c(Cl)c[nH]c3n2)cn1 ZINC000653720273 JF Annotated Mild CC1(C)CC(=O)C2=C(C1)n1c(=O)c3ccccc3c(=O)n1[C@@H]2c1cc2ccccc2n2nnnc12 ZINC000653724787 JF Annotated Mild CC1(C)CC(=O)C2=C(C1)n1c(=O)c3ccccc3c(=O)n1[C@H]2c1cc2ccccc2n2nnnc12 ZINC000653724788 JF Annotated Mild CN(CCO)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccccc2)c2ccccc21 ZINC000653726363 JF Annotated Reactive C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]1(CC[C@]3(O)[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@]34O[C@]41C)[C@@H]2C ZINC000653726481 JF Annotated Anodyne C[C@@H](O)Nc1cc(Cl)ccc1/C=N/NC(=N)N/N=C/c1ccc(Cl)cc1N[C@@H](C)O ZINC000653729609 JF Annotated Mild C[C@H](O)Nc1cc(Cl)ccc1/C=N/NC(=N)N/N=C/c1ccc(Cl)cc1N[C@@H](C)O ZINC000653729610 JF Annotated Mild C[C@H](O)Nc1cc(Cl)ccc1/C=N/NC(=N)N/N=C/c1ccc(Cl)cc1N[C@H](C)O ZINC000653729611 JF Annotated Mild CC(=O)O[C@H]1CC(C)=C(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](Cc4occc4[C@@]3(C)O)[C@@]12C ZINC000653730883 JF Annotated Anodyne CCOc1cccc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)c(C)n2)n(C)c(=O)n3C)c1 ZINC000653737457 JF Annotated Anodyne Cc1ncc(Cn2cc(CSc3nnc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nn2)c(N)n1 ZINC000653742650 JF Annotated Bother CNc1nc(C(F)(F)F)c(-c2nnc(SCc3cn(Cc4cnc(C)nc4N)nn3)o2)s1 ZINC000653746412 JF Annotated Anodyne CS(=O)(=O)c1ccc(C2CCN(CCc3cnn(-c4nccc5c(O)ncnc45)c3)CC2)cc1 ZINC000653746443 JF Annotated Anodyne COc1ccc2c(c1)cc([C@@H]1C3=C(CC(C)(C)CC3=O)n3c(=O)c4ccccc4c(=O)n31)c1nnnn12 ZINC000653747665 JF Annotated Mild COc1ccc2c(c1)cc([C@H]1C3=C(CC(C)(C)CC3=O)n3c(=O)c4ccccc4c(=O)n31)c1nnnn12 ZINC000653747666 JF Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](C(F)F)C3)n2)cc1OC(F)F ZINC000653748752 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](C(F)F)C3)n2)cc1OC(F)F ZINC000653748754 JF Annotated Anodyne COCCN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CC5CC4C5)n3)[C@@H]2C1 ZINC000653750407 JF Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCN4CCC[C@@H]4C3)n2)C1 ZINC000653750423 JF Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CC[C@@H](F)C4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653751518 JF Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CC[C@H](F)C4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653751519 JF Annotated Anodyne CN1CCN(c2ccc3nc(-c4cccc(C(=O)N5CCOCC5)c4)c(-c4ccncc4)n3n2)CC1 ZINC000653751699 JF Annotated Anodyne O[C@](CN1CCC(c2nnc(-c3ccncc3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653751761 JF Annotated Anodyne O[C@@](CN1CCC(c2nnc(-c3ccncc3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653751763 JF Annotated Anodyne O[C@](CN1CCC(c2nnc(-c3ccco3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653751767 JF Annotated Anodyne O[C@@](CN1CCC(c2nnc(-c3ccco3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653751769 JF Annotated Anodyne Nc1ncc(-c2cc([C@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)(F)F ZINC000653752857 JF Annotated Anodyne CC(C)c1csc2nc(N3CC[C@@H](C(N)=O)C3)nc(N3CCC(CN(C)[C@H]4CCN(C)C4)CC3)c12 ZINC000653753034 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4[C@H](C3)C4(Cl)Cl)n2)cc1OC(F)F ZINC000653754863 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4[C@@H](C3)C4(Cl)Cl)n2)cc1OC(F)F ZINC000653754866 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4[C@H](C3)C4(Cl)Cl)n2)cc1OC(F)F ZINC000653754867 JF Annotated Anodyne Nc1ncc(-c2cc(N3CCN4CCC[C@H]4C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653754869 JF Annotated Anodyne Nc1ncc(-c2cc(N3CCN4CCC[C@@H]4C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653754871 JF Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CC5CC4C5)n3)[C@@H]2C1 ZINC000653754915 JF Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCN4CCC[C@H]4C3)n2)C1 ZINC000653754917 JF Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653754918 JF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)c4ccccc4)nc3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000653755694 JF Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CC(F)(F)C3)n2)cc1OC(F)F ZINC000653756214 JF Annotated Anodyne COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653757328 JF Annotated Anodyne NC(=O)[C@@H]1CN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)CCN1 ZINC000653758410 JF Annotated Anodyne NC(=O)[C@H]1CN(c2nc(N3[C@H]4CC[C@H]3COC4)c3c(-c4ccccc4Cl)csc3n2)CCN1 ZINC000653758411 JF Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(Br)cc2[C@@]1(O)Cc1nn[nH]n1 ZINC000653758779 JF Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(Br)cc2[C@]1(O)Cc1nn[nH]n1 ZINC000653758783 JF Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3cc([N+](=O)[O-])ccc3Cl)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653759966 JF Annotated Mild NC(=O)[C@H]1CN(c2nc(N3[C@H]4CC[C@H]3COC4)nc3scc(-c4ccccc4Cl)c23)CCN1 ZINC000653760513 JF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3[nH]nc(S(=O)(=O)c4ccccc4)c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000653760630 JF Annotated Anodyne O[C@](CN1CCC(c2nnc(-c3cccnc3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653762358 JF Annotated Anodyne O[C@@](CN1CCC(c2nnc(-c3cccnc3)o2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000653762359 JF Annotated Anodyne Nc1ncc(-c2cc([C@@H]3CCN(C4COC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653763587 JF Annotated Anodyne Nc1ncc(-c2cc([C@H]3CCN(C4COC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653763588 JF Annotated Anodyne COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653763888 JF Annotated Anodyne CCO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@]1(C)CNC1CC1 ZINC000653765510 JF Annotated Mild CCO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@]1(C)CNC1CC1 ZINC000653765511 JF Annotated Mild CCO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2OC)C[C@@H]1CNC1CC1 ZINC000653765574 JF Annotated Mild CCO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2OC)C[C@H]1CNC1CC1 ZINC000653765575 JF Annotated Mild CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653767394 JF Annotated Anodyne CCO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@]1(C)CNC1CC1 ZINC000653767407 JF Annotated Mild CCO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@]1(C)CNC1CC1 ZINC000653767408 JF Annotated Mild CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653768966 JF Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653768973 JF Annotated Anodyne COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1 ZINC000653773134 JF Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(-c3ccn(CCO)c(=O)c3)cnc12 ZINC000653773240 JF Annotated Clean Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@]4(C3)CC4(F)F)n2)cc1OC(F)F ZINC000653778385 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@]4(C3)CC4(F)F)n2)cc1OC(F)F ZINC000653778386 JF Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653778410 JF Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653778411 JF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC[C@H]3C(F)F)n2)cc1OC(F)F ZINC000653778416 JF Annotated Anodyne C[C@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F ZINC000653778417 JF Annotated Anodyne C[C@@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F ZINC000653778418 JF Annotated Anodyne CCOc1ccc(-c2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C3)c(Cl)c1 ZINC000653779445 JF Annotated Bother C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)NC3=O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000653779708 JF Annotated Anodyne C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)NC3=O)C(=O)Nc1c5ccc2c1C=CC(C)(C)O2 ZINC000653779714 JF Annotated Anodyne CC(=O)N1CCN(c2ccc(N3C[C@H](CN(C(=O)OC(C)C)C(=O)C(C)C)OC3=O)cc2F)CC1 ZINC000653782582 JF Annotated Anodyne C[C@@]1(c2cc(-c3cn(-c4ccc(C#N)cn4)nn3)ccc2F)C[S@]2(=O)=NCCCCN2C(=N)N1 ZINC000653784795 JF Annotated Mild Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2C[C@@H]3C[C@H](C2)CN(S(=O)(=O)c2ccc(C)cc2)C3)cc1 ZINC000653791946 JF Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000653793005 JF Annotated Mild COc1cnc2ccc(=O)n(CCN3CCN(C(=S)NCc4ccc(Cl)cc4)CC3)c2c1 ZINC000653793325 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795651 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653795652 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795653 JF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653795654 JF Annotated Anodyne C[C@]1(COc2ccc(N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653799994 JF Annotated Clean Cc1ccc(-n2c(N)c(NC(=O)c3c(C)c(O)c(C)c4c3OC(C)(C)C4)c(=O)n(C)c2=O)cc1 ZINC000653801558 JF Annotated Anodyne CCOc1cccc(-n2c(N)c(NC(=O)c3c(C)c(O)c(C)c4c3OC(C)(C)C4)c(=O)n(C)c2=O)c1 ZINC000653801607 JF Annotated Anodyne CCc1cccc(-n2c(N)c(NC(=O)c3c(C)c(O)c(C)c4c3OC(C)(C)C4)c(=O)n(C)c2=O)c1 ZINC000653801661 JF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C#N)cc1)C2 ZINC000653803270 JF Annotated Mild Cc1cncn1-c1cc(C(=O)Nc2ccc3c(C(=O)N[C@@H](C)C(N)=O)n[nH]c3c2)cc(C(F)(F)F)c1 ZINC000653805795 JF Annotated Anodyne COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CC(CCC(=O)c4ccccc4)C3)c12 ZINC000653808336 JF Annotated Anodyne Cc1c(O)c(C)c(C(=O)Nc2c(N)n(-c3cccc(F)c3)c(=O)n(C)c2=O)c2c1CC(C)(C)O2 ZINC000653810001 JF Annotated Anodyne Cc1cccc(-n2c(N)c(NC(=O)c3c(C)c(O)c(C)c4c3OC(C)(C)C4)c(=O)n(C)c2=O)c1 ZINC000653810885 JF Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(Br)cc4)CC3)c2c1 ZINC000653811082 JF Annotated Anodyne COc1cc(OC)c(-c2ccc(C#CCO)s2)cc1C(=O)NS(=O)(=O)c1ccccc1 ZINC000653812608 JF Annotated Mild CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cncnn3)C2)s1)c1cccc(OC(F)(F)F)c1 ZINC000653812645 JF Annotated Anodyne COc1ccc(S(=O)(=O)NCCCCN=c2c(C#N)c[nH]c3c2cnn3-c2ccccc2)cc1 ZINC000653819866 JF Annotated Mild COc1cc([C@@H]2C3=C(COC3=O)N(CCCO)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821183 JF Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(CCCO)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821188 JF Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(CCN(C)C)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823270 JF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(CCN(C)C)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823272 JF Annotated Anodyne CCc1ccc(OCCN[C@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 ZINC000653831324 JF Annotated Anodyne CCc1ccc(OCCN[C@@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 ZINC000653831325 JF Annotated Anodyne COc1cc(Cl)ccc1OCCN[C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653835887 JF Annotated Anodyne COc1cc(Cl)ccc1OCCN[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653835888 JF Annotated Anodyne COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1 ZINC000653836212 JF Annotated Anodyne CC1=NC(=O)C2(CCN(c3c(Cl)cncc3-c3ccc4c(c3)CS(=O)(=O)N4C)CC2)N1 ZINC000653842130 JF Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)c1cn[nH]c1 ZINC000653842805 JF Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)CCC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000653843986 JF Annotated Anodyne COc1ccc(F)c(CN2CN(CC(=O)O)c3ccc(Br)cc3S2(=O)=O)c1 ZINC000653845365 JF Annotated Anodyne CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4(C)CCN(C(=O)[C@@H](C)O)CC4)s3)cc21 ZINC000653845425 JF Annotated Anodyne CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4(C)CCN(C(=O)[C@H](C)O)CC4)s3)cc21 ZINC000653845426 JF Annotated Anodyne CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(=O)N(C)C)cc3)cc(N3CCN(C)CC3)nc21 ZINC000653848645 JF Annotated Anodyne CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4(C)CCN(C(=O)C(C)(C)O)CC4)s3)cc21 ZINC000653848998 JF Annotated Anodyne CCN(C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F ZINC000653850783 JF Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)[C@@H]1CCOC1 ZINC000653850805 JF Annotated Anodyne O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2nc[nH]c3ncnc2-3)c1F)[C@H]1CCOC1 ZINC000653850806 JF Annotated Anodyne CC1=NNC(=O)C12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3C)CC2 ZINC000653850853 JF Annotated Anodyne C[C@H]1CN(c2cccc3nc(-c4nc(-c5cccc(C(=O)N(C)C)c5)cnc4N)n(C)c23)CCN1 ZINC000653851522 JF Annotated Anodyne CCc1nc2nc(C(F)(F)F)ccc2c(=O)n1Cc1cn(CC(=O)Nc2ccccc2)nn1 ZINC000653851680 JF Annotated Anodyne C[C@@]1(O)C(=O)[C@H]([C@H]2C(=O)[C@@](C)(O)[C@](C)(O)c3[nH]c4ccccc4c32)c2c([nH]c3ccccc23)[C@@]1(C)O ZINC000653852822 JF Annotated Anodyne C[C@H](F)Oc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(O)ncnc12 ZINC000653859587 JF Annotated Anodyne C[C@@H](F)Oc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(O)ncnc12 ZINC000653859588 JF Annotated Anodyne N#CN=C(Nc1cccc(OC(F)F)c1)N1C[C@H](N2CNCC2=O)C(c2ccc(Cl)cc2)=N1 ZINC000653866624 JF Annotated Mild N#CN=C(Nc1cccc(OC(F)F)c1)N1C[C@@H](N2CNCC2=O)C(c2ccc(Cl)cc2)=N1 ZINC000653866625 JF Annotated Mild COc1ccc(-n2c(Br)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653866667 JF Annotated Anodyne CCN(C(=O)CO)[C@H]1CN(/C(=N/CCc2cccc(Cl)c2)NC#N)N=C1c1ccc(Cl)cc1 ZINC000653880694 JF Annotated Mild CCN(C(=O)CO)[C@@H]1CN(/C(=N/CCc2cccc(Cl)c2)NC#N)N=C1c1ccc(Cl)cc1 ZINC000653880695 JF Annotated Mild Nc1noc2ccc(CCOc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cc12 ZINC000653883176 JF Annotated Anodyne CC1(C)O[C@H]2O[C@@H]3COB(c4cccc(/N=C/c5cc(Br)ccc5O)c4)O[C@@H]3[C@H]2O1 ZINC000653887948 JF Annotated Mild CC1(C)O[C@H]2O[C@@H]3COB(c4cccc(/N=C/c5ccc(Br)cc5O)c4)O[C@@H]3[C@H]2O1 ZINC000653888009 JF Annotated Mild CNc1ncc2cc(-c3ccc(-n4ccc(C)cc4=O)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1 ZINC000653889516 JF Annotated Anodyne O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C12CC3CC(C1)CC(C(=O)N/N=C/c1ccc([N+](=O)[O-])o1)(C3)C2 ZINC000653889595 JF Annotated Reactive CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3C3CC3)c(=O)n(C[C@@H]3CNCCO3)c2n1 ZINC000653889655 JF Annotated Anodyne COc1cc(-c2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cc(OC)c1OC ZINC000653894786 JF Annotated Anodyne COc1ccc(-n2c(C(F)(F)F)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653894862 JF Annotated Anodyne O=c1c(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)coc2ccc([N+](=O)[O-])cc12 ZINC000653899209 JF Annotated Mild CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(O)ncnc34)c(Br)c2)CC1 ZINC000653901686 JF Annotated Anodyne CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1ncc(CO)c(C(F)(F)F)n1 ZINC000653913903 JF Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2O[C@@H]2CC[C@H](F)C2)CC1 ZINC000066066238 JF Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2O[C@H]2CC[C@H](F)C2)CC1 ZINC000066066239 JF Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2O[C@@H]2CC[C@@H](F)C2)CC1 ZINC000066066240 JF Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2O[C@H]2CC[C@@H](F)C2)CC1 ZINC000066066241 JF Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCCN(Cc4ccc(N)cc4F)C3)cc1-2 ZINC000066073766 JF Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCCN(Cc4ccc(N)cc4F)C3)cc1-2 ZINC000066073767 JF Annotated Anodyne O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccnc3)CC2)cnn1-c1ccccc1 ZINC000066073857 JF Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(C3CCCCC3)c(=O)c2OC2CCCC2)CC1 ZINC000066073860 JF Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)CC1 ZINC000066074201 JF Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2CCCC2)CC1 ZINC000066076204 JF Annotated Anodyne CONC(=S)N/N=C1\C(=O)N(CN2CCN(c3ccc(Cl)cc3)CC2)c2ccc(C)cc21 ZINC000066077708 JF Annotated Mild Cc1c(CC(=O)O)c2ccsc2n1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000066078600 JF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066097557 JF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066097562 JF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066097564 JF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066097567 JF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066097579 JF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066097581 JF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066097583 JF Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066097586 JF Annotated Anodyne CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](N[C@@H]2CCOC[C@@H]2F)C1 ZINC000066098438 JF Annotated Anodyne CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](N[C@H]2CCOC[C@@H]2F)C1 ZINC000066098440 JF Annotated Anodyne CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](N[C@@H]2CCOC[C@H]2F)C1 ZINC000066098442 JF Annotated Anodyne CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](N[C@H]2CCOC[C@H]2F)C1 ZINC000066098443 JF Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCCN(Cc4ccc(O)cc4F)C3)cc1-2 ZINC000066098778 JF Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCCN(Cc4ccc(O)cc4F)C3)cc1-2 ZINC000066098780 JF Annotated Anodyne O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccccn3)CC2)cnn1-c1ccccc1 ZINC000066099022 JF Annotated Anodyne CC(=O)O[C@H]1[C@@H](C(=O)c2cnc3sc(C(=O)c4ccccc4)cn23)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066099712 JF Annotated Anodyne CC(=O)O[C@H]1[C@@H](C(=O)c2cnc3sc(C(=O)c4ccc(F)cc4)cn23)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000066100394 JF Annotated Anodyne Nc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1 ZINC000066100535 JF Annotated Anodyne O=C1/C(=N\NC(=S)NO)c2cc(Cl)ccc2N1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000066100646 JF Annotated Mild CONC(=S)N/N=C1\C(=O)N(CN2CCN(c3ccc(Cl)cc3)CC2)c2ccc(Cl)cc21 ZINC000066101432 JF Annotated Mild CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)(C(C)C)C1 ZINC000066102292 JF Annotated Anodyne O=C(O)c1cc2c(c3nc4c(O)cccc4nc13)[C@@H]1Cc3nc4cccc(O)c4nc3[C@@H](O)[C@@H]1O2 ZINC000066104548 JF Annotated Bother COP(=O)(C/C=C/Cn1cc(Br)c(=O)n(C(=O)c2ccccc2)c1=O)OC ZINC000066113264 JF Annotated Anodyne C=CCN1c2ccccc2[C@]23CCC(=O)N(Cc4ccco4)C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]13 ZINC000066122775 JF Annotated Mild C=CCN1c2ccccc2[C@@]23CCC(=O)N(Cc4ccco4)C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]13 ZINC000066122777 JF Annotated Mild C=CCN1c2ccccc2[C@@]23CCC(=O)N(Cc4ccco4)C2=NC(C(=O)OC)=C(C(=O)OC)[C@H]13 ZINC000066122779 JF Annotated Anodyne CC#CCN1c2ccccc2[C@@]23CCC(=O)N(Cc4ccco4)C2=NC(C(=O)OC)=C(C(=O)OC)[C@H]13 ZINC000066122928 JF Annotated Anodyne C=CCN1c2ccccc2[C@@]23CCC(=O)N(CCCOC(C)C)C2=NC(C(=O)OC)=C(C(=O)OC)[C@H]13 ZINC000066129321 JF Annotated Anodyne C=CCN1c2ccccc2[C@]23CCC(=O)N(CCCOC(C)C)C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]13 ZINC000066129323 JF Annotated Mild C=CCN1c2ccccc2[C@@]23CCC(=O)N(CCCOC(C)C)C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]13 ZINC000066129326 JF Annotated Mild CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 ZINC000066136424 JF Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@]23CCC(=O)N(Cc2ccc(OC)cc2)C3=N1 ZINC000066136492 JF Annotated Anodyne CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 ZINC000066139156 JF Annotated Anodyne CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 ZINC000066139832 JF Annotated Anodyne COP(=O)(C/C=C\Cn1cc(Br)c(=O)n(C(=O)c2ccccc2)c1=O)OC ZINC000066157446 JF Annotated Anodyne C=Cc1cc(OC)c2c(c1)[C@H](O)Oc1c-2cc(OC)c2c(O)ccc([C@H]3O[C@@H]([C@@H](C)O)[C@H](O)[C@H]3O)c12 ZINC000066166947 JF Annotated Anodyne CN(CCCNC(=O)c1cnc2ccccc2c1N)CCCNC(=O)c1cnc2ccccc2c1N ZINC000066251351 JF Annotated Anodyne C=C1[C@H](OC(C)=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]1C=O)COC3=O ZINC000066258403 JF Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)OC[C@]32CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]2C=O)[C@@H]1OC(C)=O ZINC000066258404 JF Annotated Mild O=C(O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2cc(Br)ccc21 ZINC000066258715 JF Annotated Anodyne CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)CNC(C)=O)c3)nc2c2c1ncn2C ZINC000066258809 JF Annotated Anodyne COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O ZINC000066259063 JF Annotated Anodyne O=C1C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000066260042 JF Annotated Bother Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(S(N)(=O)=O)cc3)cc2c1 ZINC000066260043 JF Annotated Anodyne C[C@@]1(F)[C@@H]2O[P@@](=O)(Oc3ccccc3)OC[C@H]2O[C@H]1n1cnc2c(N3CCC3)nc(N)nc21 ZINC000066262011 JF Annotated Anodyne CO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000066262246 JF Annotated Anodyne CO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000066262248 JF Annotated Anodyne N#Cc1ccc2c(c1)CN(C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)CC2 ZINC000068200726 JF Annotated Mild CC(C)(Oc1cccc2[nH]c(-c3nccc(-c4cncc(S(N)(=O)=O)c4)n3)cc12)C(=O)O ZINC000068209055 JF Annotated Anodyne CCc1cnc(N2CCC(Oc3cc(N4CCc5cc(S(C)(=O)=O)ccc54)ncn3)CC2)nc1 ZINC000068245910 JF Annotated Anodyne CCc1nccc(-c2ccc(C(=O)N3CCN(C4COC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000068247143 JF Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN([C@H]2C[C@@H]3C[C@@H]3[C@@H]2O)C(=O)C1 ZINC000068268032 JF Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1CO[C@@H](O)[C@@]2(C)O[C@@]12C ZINC000070454205 JF Annotated Mild in-vitro biogenic CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O ZINC000070454762 JF Annotated Anodyne CCCNC(=O)Cn1c(=O)/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)s/c1=C/C(=O)C(C)(C)C ZINC000070455046 JF Annotated Bother C/C=C(/C)C(=O)O[C@@H]1[C@@H](OCC)/C(CC=O)=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](COCC)[C@H]12 ZINC000070455253 JF Annotated Mild in-vitro biogenic C=C(C)C(=O)OCCOC(=O)NCC[C@H](C)C[C@@H](C)CNC(=O)OCCOC(=O)C(=C)C ZINC000070647105 JF Annotated Mild in-vitro C=C(C)C(=O)OCCOC(=O)NCC[C@@H](C)C[C@@H](C)CNC(=O)OCCOC(=O)C(=C)C ZINC000070647106 JF Annotated Mild in-vitro C=C(C)C(=O)OCCOC(=O)NCC[C@H](C)C[C@H](C)CNC(=O)OCCOC(=O)C(=C)C ZINC000070647107 JF Annotated Mild in-vitro C=C(C)C(=O)OCCOC(=O)NCC[C@@H](C)C[C@H](C)CNC(=O)OCCOC(=O)C(=C)C ZINC000070647108 JF Annotated Mild in-vitro N=C(c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1)N1CCOCC1 ZINC000071282255 JF Annotated Bother Cc1ccc(S(=O)(=O)OC[C@H]2O[C@H](OC(C)C)C=C([C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000071282468 JF Annotated Mild CCN(CCNC(=O)c1cn2cc(I)ccc2n1)CCOc1cccnc1F ZINC000071295357 JF Annotated Anodyne CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC[C@]1(C)N ZINC000071295607 JF Annotated Mild CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC[C@@]1(C)N ZINC000071295608 JF Annotated Mild NS(=O)(=O)c1nnc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)s1 ZINC000071295692 JF Annotated Anodyne CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc(I)ccc43)[C@@]2(C)SC1=O ZINC000071296509 JF Annotated Mild CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc(I)ccc43)[C@]2(C)SC1=O ZINC000071296510 JF Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(I)ccc43)[C@@]2(C)SC1=O ZINC000071296511 JF Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(I)ccc43)[C@]2(C)SC1=O ZINC000071296512 JF Annotated Mild O=C1c2cccc3c(-n4cc(-c5ccccc5)nn4)ccc(c23)C(=O)N1CCN1CCNCC1 ZINC000071296525 JF Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(=O)CC)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(=O)CC)[C@H]1C[C@H]3O ZINC000071296765 JF Annotated Mild CNCCOc1cc(Cl)c(C)cc1NC(=O)NCCc1ccc2[nH]/c(=N/C(C)=O)[nH]c2c1 ZINC000071296908 JF Annotated Anodyne Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@]12O ZINC000071296954 JF Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H](n1c(SCc3cc4ccccc4oc3=O)nc3cncnc31)O[C@@H]2CO ZINC000071297121 JF Annotated Anodyne O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4nnn[nH]4)n3c2)c1)c1ccc(F)cc1F ZINC000071316924 JF Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)OC[C@H](CO)CCC(=S)N[C@H](c1nc(C)no1)CSC2 ZINC000071317215 JF Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)OC[C@@H](CO)CCC(=S)N[C@H](c1nc(C)no1)CSC2 ZINC000071317296 JF Annotated Anodyne Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNC(=O)c5cccs5)OC4=O)cc3F)cn2)n1 ZINC000071317726 JF Annotated Anodyne O=C(O)CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2cc(Cl)cnc21 ZINC000071318359 JF Annotated Anodyne O=C(/C=C/c1cn(CCC(CO)CO)cn1)NCCCCC1CCN(C(=O)c2ccccc2)CC1 ZINC000071318976 JF Annotated Anodyne O=C(O)CN1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cc(Br)cnc21 ZINC000071319420 JF Annotated Anodyne O=C(/C=C/c1cnn(CCC(CO)CO)c1)NCCCCC1CCN(C(=O)c2ccccc2)CC1 ZINC000071329264 JF Annotated Anodyne COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1C[C@@H](OC)[C@H](NS(=O)(=O)c1ccc(C)cc1)C3 ZINC000071340898 JF Annotated Anodyne CCO/N=C1\CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)C[C@@H]1CN ZINC000071341168 JF Annotated Mild CCO/N=C1\CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)C[C@H]1CN ZINC000071341169 JF Annotated Mild CN(C)CCc1cn(CCCCCCCOS(C)(=O)=O)c2c1C(=O)c1ccncc1C2=O ZINC000071341550 JF Annotated Mild COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1S(=O)(=O)N1CCOCC1 ZINC000071928047 JF Annotated Anodyne O=C(CCC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCOCCOCCOCC1 ZINC000072105450 JF Annotated Anodyne CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(O)cc1O ZINC000072107625 JF Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(O)cc1O ZINC000072107626 JF Annotated Reactive CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccc(Br)cc3)c(=O)n12 ZINC000072107947 JF Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccc(Br)cc3)c(=O)n12 ZINC000072107948 JF Annotated Anodyne COCCCOc1cncc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NCC32CN(C)C2)c1 ZINC000072108130 JF Annotated Anodyne CCCN1CCC2(CC1)Oc1cc(O)ccc1[C@@H]1C2=CCn2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000072108951 JF Annotated Anodyne CCCN1CCC2(CC1)Oc1cc(O)ccc1[C@H]1C2=CCn2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000072108952 JF Annotated Anodyne CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(O)c(O)c1 ZINC000072110195 JF Annotated Reactive CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(O)c(O)c1 ZINC000072110196 JF Annotated Reactive CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C)C[C@H](C4=CC(=O)OC4)O[C@H](CC[C@]1(O)CCl)[C@H]32 ZINC000072112032 JF Annotated Reactive C/C=C(\C)C(=O)OC[C@@]1(O)CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@]21CO ZINC000072112106 JF Annotated Anodyne C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072114159 JF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072114160 JF Annotated Mild O=C1[C@@H]2[C@H](C(=O)N1CCN1CCOCC1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000072114490 JF Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1CCN1CCOCC1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000072114491 JF Annotated Anodyne CCN(CC)CCNC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072116949 JF Annotated Clean CN(C)CCCNC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072118042 JF Annotated Clean O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCCC1)c1ccc(Br)cn21 ZINC000072118817 JF Annotated Clean COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CN4CCN(C(C)(C)C)CC4)OC3=O)c2c1 ZINC000072121377 JF Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CN4CCN(C(C)(C)C)CC4)OC3=O)c2c1 ZINC000072121378 JF Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000072122053 JF Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000072122054 JF Annotated Anodyne CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCS(=O)(=O)CC4)n3)cc2)C1=O ZINC000072122926 JF Annotated Anodyne CCCCCN1C(=O)/C(=N\NC(=O)CN(C)c2ccc([N+](=O)[O-])c3nonc23)c2ccc(OC)cc21 ZINC000072123481 JF Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ncc(-c3ccc(C(F)(F)F)nc3)cn1)C2 ZINC000072123603 JF Annotated Bother CC(C)Cc1ccc(CN2[C@H](C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000072136957 JF Annotated Anodyne CC(C)Cc1ccc(CN2[C@@H](C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000072136958 JF Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCC3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000072138418 JF Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CCCC3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000072138419 JF Annotated Anodyne C[C@@H]1CCCCC[C@H](O)C(=O)[C@H](S[C@@H]2CC(=O)O[C@H](C)CCCCC[C@@H](O)C2=O)CC(=O)O1 ZINC000072171900 JF Annotated Anodyne Cc1ccc(C(=O)N[C@H](C)C(N)=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O ZINC000072176603 JF Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccccc2O)s/c1=C1/C(=O)Nc2ccc(C)cc21 ZINC000072178298 JF Annotated Anodyne O=C1CSc2ccccc2N1Cc1nn(CN2CCOCC2)c(=S)n1/N=C/c1ccc(O)cc1 ZINC000072179344 JF Annotated Mild O=C(Cc1ccc(F)cc1)N/N=C1\C(=O)Nc2ccc(C(=O)N3CCC(NC4CC4)CC3)c(Cl)c21 ZINC000072179520 JF Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC4COC4)c3c2)c1F ZINC000072180055 JF Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(O[C@@H]4CCOC4)c3c2)c1F ZINC000072181200 JF Annotated Anodyne CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000072315515 JF Annotated Anodyne COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 ZINC000072317083 JF Annotated Anodyne COc1ccc(-c2cc(CNC(=O)c3cnc4cc(C(=O)N(C)C)n(C)c4c3)no2)cc1OC ZINC000072323447 JF Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000072323594 JF Annotated Mild COC/C=C\C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCCCO ZINC000073105961 JF Annotated Mild COC/C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCCCO ZINC000073105963 JF Annotated Mild COc1ccc(S(=O)(=O)N2CCO[C@@]23CCN(C(=O)Nc2ccccc2)C[C@@H]3F)cc1OC ZINC000073138667 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCO[C@]23CCN(C(=O)Nc2ccccc2)C[C@@H]3F)cc1OC ZINC000073138670 JF Annotated Anodyne COc1ccc2c(C)cc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000073156259 JF Annotated Anodyne C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2CO ZINC000073158267 JF Annotated Anodyne C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4[C@H]([C@H](O)C[C@]3(C)[C@H]1[C@@H]2CO)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]4O ZINC000073158270 JF Annotated Anodyne CS(=O)(=O)NCCCCCNc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1 ZINC000073158906 JF Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)N(CCN3CCOCC3)[C@@H]3CC=CCN(O)C3=O)s2)cc1 ZINC000073161573 JF Annotated Anodyne C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4[C@H](C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2CO)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]4O ZINC000073167885 JF Annotated Anodyne COc1ccc(/C=N/n2c(C)nc3c(cnn3S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1OC ZINC000073168813 JF Annotated Mild O=C(/N=C/c1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 ZINC000073169561 JF Annotated Mild CCCOCCn1c(=O)nc(N[C@@H]2CCCC[C@H]2C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 ZINC000073195775 JF Annotated Anodyne CCCOCCn1c(=O)nc(N[C@@H]2CCCC[C@@H]2C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 ZINC000073195776 JF Annotated Anodyne O=C(O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)N1CC[C@H](Oc2ccc(OC(F)(F)F)cc2)C1 ZINC000073197062 JF Annotated Bother CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@](C)(OC(C)=O)C[C@@H](O)[C@@H]1C(C)C ZINC000073197368 JF Annotated Anodyne COc1ccc(-c2cc3c(nn2)c(NC2CCC(O)CC2)nc(=O)n3CCOCC(F)(F)F)cn1 ZINC000073198444 JF Annotated Anodyne CN(C)CCCNc1nc(NCc2ccc(C(=O)O)cc2)nc(NCc2ccc(C(=O)O)cc2)n1 ZINC000073198528 JF Annotated Anodyne O=C(O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)N1CCC(Oc2ccc(C(F)(F)F)nc2)CC1 ZINC000073199013 JF Annotated Bother Nc1nc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12 ZINC000073200393 JF Annotated Anodyne CS(=O)(=O)/N=C(\O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1 ZINC000073221711 JF Annotated Mild CS(=O)(=O)NCc1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1 ZINC000073221727 JF Annotated Anodyne COC(=O)C1=NN(c2ccccc2)[C@@H]2[C@H]3N(c4ccccc4)N=C(C(=O)OC)N3c3ccccc3N12 ZINC000073223557 JF Annotated Anodyne COC(=O)C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(=O)OC)N3c3ccccc3N12 ZINC000073223559 JF Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@H]6CC(=O)[C@](C)([C@H]4CC[C@@]32C)[C@@]5(O)[C@H]6O)C1 ZINC000073224219 JF Annotated Anodyne in-vitro biogenic O=C(CCC(=O)N1CCC[C@H]1C(=O)O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073224478 JF Annotated Anodyne O=C(O)/C=C/[C@@]12C=C(O)C(=O)C=C1C(=O)C1=Cc3cc(O)c(O)cc3O[C@@H](c3ccc(O)c(O)c3)[C@@H]12 ZINC000073240656 JF Annotated Mild O=C(O)/C=C/[C@]12C=C(O)C(=O)C=C1C(=O)C1=Cc3cc(O)c(O)cc3O[C@@H](c3ccc(O)c(O)c3)[C@@H]12 ZINC000073240658 JF Annotated Mild C#CCNC(=O)OCCOCCOCCOCC[P@](=O)(OCC)Oc1ccc([N+](=O)[O-])cc1 ZINC000073240682 JF Annotated Mild C#CCNC(=O)OCCOCCOCCOCC[P@@](=O)(OCC)Oc1ccc([N+](=O)[O-])cc1 ZINC000073240683 JF Annotated Mild COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(CC=C(C)C)c3c2=O)c1 ZINC000073257527 JF Annotated Mild COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@H](N)C4)n(CC=C(C)C)c3c2=O)c1 ZINC000073257528 JF Annotated Mild COC(=O)NN1C(=O)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(C(=O)OC)=C1C ZINC000073258518 JF Annotated Unstable CC(C)CNCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CNCC(C)C)cccc1C2=O ZINC000073258884 JF Annotated Clean CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2c1c(=O)n(Cc1nccc3ccccc13)c(=O)n2C ZINC000073259042 JF Annotated Mild COCCOCCOCCOc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OC)n1 ZINC000073274031 JF Annotated Mild COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)/C=C/C(=O)O ZINC000073274945 JF Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1NC(=O)/C=C/C(=O)O ZINC000073274950 JF Annotated Anodyne CC(C)=CCn1c(N2CCCNCC2)c(C#N)c2c1c(=O)n(Cc1nccc3ccccc13)c(=O)n2C ZINC000073281035 JF Annotated Mild CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3ncc4ccccc4n3)c(=O)c21 ZINC000073292167 JF Annotated Mild CN1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccc(I)cc12 ZINC000073312103 JF Annotated Mild CN1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccc(I)cc12 ZINC000073312104 JF Annotated Mild C(=C\c1ccc2nc(-c3ccc(/C=C/C=N/NC4=NCCCN4)cc3)cn2c1)\C=N\NC1=NCCCN1 ZINC000073315839 JF Annotated Mild CC1(C)O[C@@H]2[C@H](O[C@@H]([C@@H](COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])[C@H]2OC(=O)c2ccccc2)O1 ZINC000073371179 JF Annotated Unstable C[C@@H]([C@@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)[C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1 ZINC000073371235 JF Annotated Anodyne C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000073371237 JF Annotated Mild CCOC(=O)NN(C(=O)OCC)C(C(=O)C1=CCCCC1)N(NC(=O)OCC)C(=O)OCC ZINC000073389864 JF Annotated Reactive O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2nc(Cl)c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[n+]2[O-])c([N+](=O)[O-])c1 ZINC000073417641 JF Annotated Bother COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@H](Br)[C@@]3(Br)CCN(C2)[C@H]13 ZINC000073417918 JF Annotated Unstable COc1cccc([C@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O ZINC000008017215 JF Annotated Clean COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1COc3ccccc3O1)[C@H](c1cccnc1)N(C)C2=O ZINC000008017272 JF Annotated Anodyne COc1ccc(O)c([C@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1 ZINC000008017829 JF Annotated Clean CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C ZINC000008035549 JF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000008035551 JF Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C ZINC000008035592 JF Annotated Anodyne CCc1cc2c(nc1CC)CCN(CC/C(C)=N/O[C@@H](C)c1cn([C@@H]3COC[C@@H]3O)nn1)C2 ZINC000008035752 JF Annotated Mild O=C1[C@@H]2CC[C@@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000008035793 JF Annotated Mild O=C1[C@@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@H]2C(=O)N1c1ccc(F)cc1F ZINC000008035794 JF Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000008035871 JF Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3CC[C@@H]12 ZINC000008035901 JF Annotated Mild CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCCNC3=O)C2)cs1 ZINC000082069420 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCCNC3=O)C2)cs1 ZINC000082069421 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CCCCNC3=O)C2)cs1 ZINC000082069422 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCCNC3=O)C2)cs1 ZINC000082069423 JF Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)OCCOCCN4CCNCC4)cc3)co2)cc1 ZINC000082069803 JF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCOCCN3CCNCC3)cc2)co1 ZINC000082069817 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)N[C@@H]2CCCCNC2=O)C(C)C)cs1 ZINC000082070068 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)N[C@@H]2CCCCNC2=O)C(C)C)cs1 ZINC000082070069 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)N[C@H]2CCCCNC2=O)C(C)C)cs1 ZINC000082070070 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)N[C@H]2CCCCNC2=O)C(C)C)cs1 ZINC000082070071 JF Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C)C(N)=O)cs1 ZINC000082070706 JF Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)C(N)=O)cs1 ZINC000082070708 JF Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C)C(=O)OCCN)cs1 ZINC000082070709 JF Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)C(=O)OCCN)cs1 ZINC000082070710 JF Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCNCC1 ZINC000082070726 JF Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)N1CCNCC1 ZINC000082070728 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCc1ccco1 ZINC000082070958 JF Annotated Anodyne CCCCOCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082070982 JF Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082070983 JF Annotated Anodyne CCCCOCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071005 JF Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071006 JF Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071149 JF Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071150 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(N)=O ZINC000082071161 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(N)=O ZINC000082071162 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082071183 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082071184 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCc1ccccn1 ZINC000082071197 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCc1ccccn1 ZINC000082071198 JF Annotated Anodyne CCCCOCCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071225 JF Annotated Anodyne CCCCOCCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071226 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)OCCc1ccccn1 ZINC000082071227 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)OCCc1ccccn1 ZINC000082071228 JF Annotated Anodyne CCCCOCCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071249 JF Annotated Anodyne CCCCOCCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071250 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)OCCc1ccccn1 ZINC000082071251 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)OCCc1ccccn1 ZINC000082071252 JF Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000082071816 JF Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000082071819 JF Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)NCC(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082071917 JF Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)NCC(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082071919 JF Annotated Anodyne O=C(NCC(=O)N1CCNCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072191 JF Annotated Anodyne O=C(NCC(=O)N1CCCNCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072193 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082072943 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082072945 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082072947 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082072949 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCCOCCN(C)C)cs1 ZINC000082073593 JF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OCCOCCN(C)C)cs1 ZINC000082073596 JF Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CC(N)=O)cs1 ZINC000082073935 JF Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CC(=O)OCCN)cs1 ZINC000082073936 JF Annotated Anodyne CN(CC(=O)N1CCNCC1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073954 JF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)N[C@@H]2CCCCNC2=O)co1 ZINC000082074252 JF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H]2CCCCNC2=O)co1 ZINC000082074254 JF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)N[C@H]2CCCCNC2=O)co1 ZINC000082074258 JF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@H]2CCCCNC2=O)co1 ZINC000082074260 JF Annotated Anodyne NCCN(CCO)CCOC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074782 JF Annotated Anodyne CN(C)CCOCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082081053 JF Annotated Anodyne CN(C)CCOCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082081054 JF Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000082081352 JF Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000082081353 JF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(=O)N4CCCNCC4)C3)cs2)c1 ZINC000082081394 JF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)N4CCCNCC4)C3)cs2)c1 ZINC000082081395 JF Annotated Anodyne CN(C)CCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081486 JF Annotated Bother CN(C)CCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081487 JF Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCOCCN(C)C)C3)cs2)c1 ZINC000082081542 JF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCOCCN(C)C)C3)cs2)c1 ZINC000082081543 JF Annotated Anodyne CN(C)CCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081588 JF Annotated Bother CN(C)CCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081589 JF Annotated Bother COc1cc(-c2nc3ccc(NS(=O)(=O)c4c(C)noc4C)cn3n2)cc(OC)c1OC ZINC000082082071 JF Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCCCN1CCN(C)CC1 ZINC000082082325 JF Annotated Anodyne CC(C)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCCCN1CCN(C)CC1 ZINC000082082326 JF Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCOCCN1CCNCC1 ZINC000082082443 JF Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCOCCN1CCNCC1 ZINC000082082445 JF Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCOCCN(C)C ZINC000082082475 JF Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCOCCN(C)C ZINC000082082476 JF Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)OCCOCCN(C)C)C(C)C)cs2)c1 ZINC000082082586 JF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)OCCOCCN(C)C)C(C)C)cs2)c1 ZINC000082082587 JF Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCOCCN(C)C ZINC000082082675 JF Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCOCCN(C)C ZINC000082082676 JF Annotated Bother CCCCOCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084137 JF Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084138 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccccc1N ZINC000082084184 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccccc1N ZINC000082084185 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccco1 ZINC000082084190 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCc1ccco1 ZINC000082084191 JF Annotated Anodyne CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084206 JF Annotated Bother CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084207 JF Annotated Bother CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082084246 JF Annotated Anodyne CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082084247 JF Annotated Anodyne CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084278 JF Annotated Bother CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084280 JF Annotated Bother CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084317 JF Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084318 JF Annotated Mild CCCCOCCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084403 JF Annotated Anodyne CCCCOCCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084404 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCc1ccccn1 ZINC000082084405 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCc1ccccn1 ZINC000082084406 JF Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084409 JF Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084410 JF Annotated Mild CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN(C)C ZINC000082084429 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN(C)C ZINC000082084430 JF Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(Nc2ccccc2)n1 ZINC000082084451 JF Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(Nc2ccccc2)n1 ZINC000082084452 JF Annotated Mild CC(=O)NCSC[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082084455 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082084456 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCc1ccccn1 ZINC000082084469 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCc1ccccn1 ZINC000082084470 JF Annotated Anodyne NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084562 JF Annotated Anodyne NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084563 JF Annotated Anodyne COc1cccc(CNC(=O)CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082084749 JF Annotated Bother COc1cccc(CNC(=O)CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC ZINC000082084807 JF Annotated Bother O=C(NCCCN1CCCC1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085266 JF Annotated Bother O=C(NCCCN1CCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085267 JF Annotated Bother CN1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000082085318 JF Annotated Anodyne CN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000082085319 JF Annotated Anodyne O=C(OCCOCCN1CCNCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085320 JF Annotated Anodyne O=C(OCCOCCN1CCNCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085321 JF Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085372 JF Annotated Bother O=C(NCCCN1CCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085373 JF Annotated Bother O=C(OCCOCCN1CCNCC1)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085406 JF Annotated Anodyne O=C(OCCOCCN1CCNCC1)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085407 JF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCOCCN(C)C)cs2)c1 ZINC000082085496 JF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCOCCN(C)C)cs2)c1 ZINC000082085497 JF Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082085807 JF Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1coc(-c2cccs2)n1 ZINC000082085924 JF Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1coc(-c2cccs2)n1 ZINC000082085925 JF Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1coc(-c2cccs2)n1 ZINC000082085926 JF Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1coc(-c2cccs2)n1 ZINC000082085927 JF Annotated Anodyne NCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086054 JF Annotated Bother NCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086055 JF Annotated Bother CN(C)CCOCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086154 JF Annotated Anodyne CN(C)CCOCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086155 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCc1ccccc1N ZINC000082088052 JF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCc1ccccc1N ZINC000082088053 JF Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCc1ccco1 ZINC000082088058 JF Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 ZINC000082118538 JF Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 ZINC000082118539 JF Annotated Anodyne CCNc1nc(NCCCCNC(=O)c2ccc3[nH]nnc3c2)nc2cc(OC)c(OC)cc12 ZINC000082118574 JF Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cnccn3)nc(NCCCOC(C)C)c2cc1OC ZINC000082118729 JF Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCNC(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 ZINC000082118736 JF Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCNC(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 ZINC000082118737 JF Annotated Anodyne CCNc1nc(NCCCNC(=O)c2ccc3[nH]nnc3c2)nc2cc(OC)c(OC)cc12 ZINC000082118779 JF Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NC[C@@H](C)O)c2cc1OC ZINC000082118825 JF Annotated Bother COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NC[C@H](C)O)c2cc1OC ZINC000082118826 JF Annotated Bother CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082119494 JF Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082119495 JF Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082119496 JF Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)C(N)=O)nc(NCCCc3ccccc3)c2cc1OC ZINC000082119523 JF Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccncc3)nc(NC[C@H](C)O)c2cc1OC ZINC000082119535 JF Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccncc3)nc(NC[C@@H](C)O)c2cc1OC ZINC000082119536 JF Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@@H](C)[C@@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CC[C@H](OC(C)=O)[C@@]21CO1 ZINC000082123170 JF Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135515 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135649 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135650 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135651 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135652 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135680 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135681 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135683 JF Annotated Bother CC1CCN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135707 JF Annotated Bother CC1CCN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135708 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135717 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135758 JF Annotated Bother CC(=O)NCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135849 JF Annotated Bother CC(=O)NCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136011 JF Annotated Bother COc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136028 JF Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)cc1OC ZINC000082141991 JF Annotated Anodyne CCN(C)c1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143919 JF Annotated Mild COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2CCN(C(C)=O)CC2)cc(OC)c1OC ZINC000082144051 JF Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCCOC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149151 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149244 JF Annotated Bother CC1CCN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149390 JF Annotated Bother CC1CCN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149393 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149542 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149546 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149548 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149560 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149564 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149568 JF Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149604 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149673 JF Annotated Bother O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc(Br)c4ccccc4c3c2)[C@H]1C(=O)O ZINC000082149697 JF Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149720 JF Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149725 JF Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149728 JF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149779 JF Annotated Bother O=C(COc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082153613 JF Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082153651 JF Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082153654 JF Annotated Anodyne C=CCSc1ncccc1C1=NN(CC(=O)N(CCC(=O)OCC)Cc2ccco2)C(=O)C1 ZINC000082153885 JF Annotated Mild Cc1sc2ncn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000082157563 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000082157570 JF Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1ccc(C#N)cc1 ZINC000082159800 JF Annotated Mild CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082164956 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082164959 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000082164963 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000082164966 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082165202 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082165205 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082165209 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082165212 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](CC(C)C)C(=O)N2 ZINC000082165241 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](CC(C)C)C(=O)N2 ZINC000082165244 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](CC(C)C)C(=O)N2 ZINC000082165245 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](CC(C)C)C(=O)N2 ZINC000082165248 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000082165262 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082165263 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000082165265 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082165268 JF Annotated Mild CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082165318 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082165320 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082165322 JF Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165352 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165355 JF Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165357 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165358 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082165366 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082165368 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082165369 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082165371 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000082165420 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082165422 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000082165423 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082165425 JF Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082165517 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082165519 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082165521 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082165523 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082165546 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082165547 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082165549 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cc(C)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082165551 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165598 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165599 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165601 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165603 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165628 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165630 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165632 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082165634 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000082165666 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000082165667 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082165669 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082165671 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@H](C(C)C)C(=O)N2 ZINC000082165672 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@@H](C(C)C)C(=O)N2 ZINC000082165676 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@H](C(C)C)C(=O)N2 ZINC000082165677 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@@H](C(C)C)C(=O)N2 ZINC000082165679 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](C(C)C)C(=O)N2 ZINC000082165680 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](C(C)C)C(=O)N2 ZINC000082165682 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](C(C)C)C(=O)N2 ZINC000082165683 JF Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](C(C)C)C(=O)N2 ZINC000082165684 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000082165686 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C(C)C ZINC000082165687 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082165689 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082165691 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082165777 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082165778 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082165780 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082165782 JF Annotated Mild CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082165849 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082165851 JF Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082165853 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082165855 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082166001 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CC(C)C ZINC000082166003 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082166005 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082166007 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@H](CC(C)C)C(=O)N2 ZINC000082166009 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@@H](CC(C)C)C(=O)N2 ZINC000082166012 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@@H](CC(C)C)C(=O)N2 ZINC000082166015 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](CC(C)C)C(=O)N2 ZINC000082166017 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](CC(C)C)C(=O)N2 ZINC000082166018 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@H](CC(C)C)C(=O)N2 ZINC000082166020 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)[C@@H](CC(C)C)C(=O)N2 ZINC000082166022 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082166048 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082166050 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082166052 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082166054 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000082166103 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000082166105 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](C)C(=O)N2 ZINC000082166107 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](C)C(=O)N2 ZINC000082166109 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000082166142 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166144 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000082166146 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166148 JF Annotated Mild CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082166349 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082166352 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082166355 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082166359 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166489 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082166492 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166495 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082166496 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082166499 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082166502 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082166506 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082166508 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082166510 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082166515 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082166517 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(C)cc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082166521 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000082166560 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000082166562 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000082166565 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000082166567 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082166616 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082166619 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082166621 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082166624 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@H](C(C)C)C(=O)N2 ZINC000082166751 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@@H](C(C)C)C(=O)N2 ZINC000082166754 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@H](C(C)C)C(=O)N2 ZINC000082166756 JF Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)[C@@H](C(C)C)C(=O)N2 ZINC000082166759 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082166772 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082166775 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082166779 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082166781 JF Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082166842 JF Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082166844 JF Annotated Anodyne COc1cc(-c2nc(N3CCN(C(C)=O)CC3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166995 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCSC ZINC000082167895 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCSC ZINC000082167897 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCSC ZINC000082167900 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCSC ZINC000082167903 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(C4CCCC4)CC3)c21 ZINC000082171324 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082172343 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082172345 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000082172347 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000082172348 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082172350 JF Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082172355 JF Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082172368 JF Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082172369 JF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000082172768 JF Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000082172770 JF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000082172772 JF Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000082172775 JF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082173447 JF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000082173455 JF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000082173459 JF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082173462 JF Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082173466 JF Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082173469 JF Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000082173473 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082173552 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000082173559 JF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000082173561 JF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082173630 JF Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082173634 JF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000082173639 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082174087 JF Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082174091 JF Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082174155 JF Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082174158 JF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(C)=O)CC(C)(C)O2 ZINC000082174190 JF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(C)=O)CC(C)(C)O2 ZINC000082174193 JF Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000082174378 JF Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000082174382 JF Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181209 JF Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000082181211 JF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082181990 JF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC1(CCN(C(C)=O)CC1)O2 ZINC000082181991 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000082182262 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000082182263 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000082182264 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@H]1CCCO1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000082182265 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000082182324 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000082182326 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000082182674 JF Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000082182675 JF Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000082189642 JF Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2Cc1ccccc1F ZINC000082190821 JF Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCc1ccccc1F ZINC000082190856 JF Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2Cc1ccc(F)cc1 ZINC000082190954 JF Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCc1cccc(F)c1)C(N)=O ZINC000082190986 JF Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1)C(N)=O ZINC000082191042 JF Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2CCCO)cc1 ZINC000082191251 JF Annotated Anodyne O=C(NCCO)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082192227 JF Annotated Anodyne O=C(NCCO)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082192231 JF Annotated Anodyne O=C(NCCO)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082192235 JF Annotated Anodyne O=C(NCCO)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082192240 JF Annotated Anodyne CCOC(=O)N1CCC(NC(=O)CNc2nc(-c3cc(OC)c(OC)c(OC)c3)cs2)CC1 ZINC000082193726 JF Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082193806 JF Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC[C@H]3CCCO3)n2)c1 ZINC000082193809 JF Annotated Anodyne COc1cc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC ZINC000082193816 JF Annotated Anodyne COc1cc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC[C@H]3CCCO3)n2)cc(OC)c1OC ZINC000082193820 JF Annotated Anodyne CC(=O)Nc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000082193840 JF Annotated Anodyne CC(=O)Nc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000082193844 JF Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3cc(O)cc(O)c3)cs2)CC1 ZINC000082194246 JF Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN2c2nc(-c3cc(O)cc(O)c3)cs2)CC1 ZINC000082194813 JF Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195827 JF Annotated Bother O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000082195828 JF Annotated Bother COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)COCc1ccccc1)C3 ZINC000082196075 JF Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccc(C#N)cc1)C3 ZINC000082196143 JF Annotated Mild COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1cccc(C#N)c1)C3 ZINC000082196145 JF Annotated Mild CC(=O)OC(C)(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196152 JF Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)COc1ccccc1)C3 ZINC000082196257 JF Annotated Anodyne CCOC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196336 JF Annotated Anodyne COC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196338 JF Annotated Anodyne CCOC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196348 JF Annotated Anodyne COC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196350 JF Annotated Anodyne O=C(Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CC1)CC3)NCc1ccccc1 ZINC000082196376 JF Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082196377 JF Annotated Anodyne CC[C@@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccs1)CC3 ZINC000082196400 JF Annotated Anodyne CC[C@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccs1)CC3 ZINC000082196401 JF Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CC1)CC3)NCc1ccco1 ZINC000082196412 JF Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082196413 JF Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3 ZINC000082196425 JF Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3 ZINC000082196426 JF Annotated Anodyne CC[C@@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1)CC3 ZINC000082196475 JF Annotated Anodyne CC[C@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1)CC3 ZINC000082196476 JF Annotated Anodyne CC[C@@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3 ZINC000082196479 JF Annotated Anodyne CC[C@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCC1)CC3 ZINC000082196480 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196503 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196504 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196505 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082196506 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000082196517 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000082196518 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000082196519 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000082196521 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O)OCC ZINC000082196669 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O)OCC ZINC000082196670 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O)OCC ZINC000082196671 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O)OCC ZINC000082196673 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082196977 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000082196978 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082196979 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000082196980 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCC#N)c1 ZINC000082197164 JF Annotated Mild COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCC#N)c1 ZINC000082197165 JF Annotated Mild COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCC#N)c1 ZINC000082197166 JF Annotated Mild COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCC#N)c1 ZINC000082197167 JF Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCO ZINC000082197207 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCO ZINC000082197208 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCO ZINC000082197209 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCO ZINC000082197210 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCO ZINC000082197442 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCO ZINC000082197443 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCO ZINC000082197444 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCO ZINC000082197445 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCO)cc1OC ZINC000082197537 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCO)cc1OC ZINC000082197538 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCO)cc1OC ZINC000082197539 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCO)cc1OC ZINC000082197540 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197986 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197987 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197988 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197989 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197990 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197991 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197992 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197993 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197994 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197995 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197996 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082197997 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198152 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198153 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198154 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)Cc2ccccc2OC)C1 ZINC000082198155 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198228 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198229 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198230 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2cccnc2SC)C1 ZINC000082198231 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082198696 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082198697 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082198698 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082198699 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082198708 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082198709 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082198710 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082198711 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082198716 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082198717 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082198718 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082198719 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198972 JF Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198973 JF Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198974 JF Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000082198975 JF Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082199041 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082199042 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082199043 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082199044 JF Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082199234 JF Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082199235 JF Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082199236 JF Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082199237 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082199362 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082199363 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082199364 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082199365 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199695 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199696 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199698 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199700 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2cnccn2)C1 ZINC000082200543 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2cnccn2)C1 ZINC000082200544 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2cnccn2)C1 ZINC000082200546 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2cnccn2)C1 ZINC000082200549 JF Annotated Anodyne O=C(Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCC1CCCC1)CC3)N1CCOCC1 ZINC000082200952 JF Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NC[C@@H]2CCCO2)C1 ZINC000082201140 JF Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NC[C@H]2CCCO2)C1 ZINC000082201142 JF Annotated Anodyne CC[C@@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCCC1)CC3 ZINC000082201183 JF Annotated Anodyne CC[C@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCCCC1)CC3 ZINC000082201185 JF Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@@H](CC)COC)C1 ZINC000082201207 JF Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@H](CC)COC)C1 ZINC000082201209 JF Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)N1CCCC1)CC3 ZINC000082201219 JF Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)N1CCCC1)CC3 ZINC000082201221 JF Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N2CCOCC2)C1 ZINC000082201262 JF Annotated Anodyne CCCC[C@@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N2CCOCC2)C1 ZINC000082201271 JF Annotated Anodyne CCCC[C@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N2CCOCC2)C1 ZINC000082201273 JF Annotated Anodyne CC(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082201313 JF Annotated Anodyne O=C(Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCC1)CC3)NCc1ccccc1 ZINC000082201315 JF Annotated Anodyne CC[C@@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)(C)C)CC3 ZINC000082201366 JF Annotated Anodyne CC[C@H](COC)NC(=O)Cn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)(C)C)CC3 ZINC000082201369 JF Annotated Anodyne CC(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082201387 JF Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCC1)CC3)NCc1ccco1 ZINC000082201389 JF Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C(C)C)CC3 ZINC000082201397 JF Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C(C)C)CC3 ZINC000082201399 JF Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCC1)CC3 ZINC000082201405 JF Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCC1)CC3 ZINC000082201409 JF Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C=C(C)C)CC3 ZINC000082201425 JF Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C=C(C)C)CC3 ZINC000082201429 JF Annotated Anodyne C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NC[C@@H]2CCCO2)C1 ZINC000082201478 JF Annotated Mild C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NC[C@H]2CCCO2)C1 ZINC000082201481 JF Annotated Mild CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082201483 JF Annotated Anodyne CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@@H](CC)COC)C1 ZINC000082201506 JF Annotated Anodyne CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@H](CC)COC)C1 ZINC000082201509 JF Annotated Anodyne CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@@H](CC)COC)C1 ZINC000082201521 JF Annotated Anodyne CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@@H](CC)COC)C1 ZINC000082201523 JF Annotated Anodyne CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@H](CC)COC)C1 ZINC000082201526 JF Annotated Anodyne CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N[C@H](CC)COC)C1 ZINC000082201528 JF Annotated Anodyne CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 ZINC000082201547 JF Annotated Anodyne CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 ZINC000082201550 JF Annotated Anodyne C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 ZINC000082201587 JF Annotated Mild C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 ZINC000082201588 JF Annotated Mild COC(=O)Cn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204641 JF Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 ZINC000082204862 JF Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204899 JF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204919 JF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205056 JF Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 ZINC000082205073 JF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000082205161 JF Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000082205227 JF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000082205232 JF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccncc1 ZINC000082205347 JF Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205369 JF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205382 JF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205392 JF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCc3scnc3C)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205396 JF Annotated Mild CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205431 JF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccncc1 ZINC000082205437 JF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205451 JF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccccc1 ZINC000082205575 JF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205636 JF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccncc1 ZINC000082205643 JF Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205744 JF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205846 JF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205855 JF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000082205970 JF Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082206116 JF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206603 JF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206606 JF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206899 JF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206901 JF Annotated Anodyne COCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082206963 JF Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207623 JF Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207625 JF Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208034 JF Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208036 JF Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1CCN1CCOCC1)[C@H](c1ccccc1)CN2 ZINC000082208659 JF Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1CCN1CCOCC1)[C@@H](c1ccccc1)CN2 ZINC000082208660 JF Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209171 JF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209225 JF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209228 JF Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209237 JF Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209241 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO ZINC000082209724 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO ZINC000082209727 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO ZINC000082209731 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO ZINC000082209734 JF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209741 JF Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209745 JF Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082209784 JF Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082209788 JF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209805 JF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209807 JF Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210038 JF Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210041 JF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210066 JF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210067 JF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210092 JF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210095 JF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210674 JF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210676 JF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210694 JF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210697 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCO)cc1OC ZINC000082210861 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCO)cc1OC ZINC000082210862 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCO)cc1OC ZINC000082210865 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCO)cc1OC ZINC000082210866 JF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210917 JF Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N)OCC ZINC000082211066 JF Annotated Mild CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N)OCC ZINC000082211069 JF Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000082211296 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082211299 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000082211303 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082211309 JF Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082211415 JF Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082211416 JF Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082211422 JF Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082211427 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000082211550 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000082211558 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082211562 JF Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211635 JF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2)c1ccncc1 ZINC000082212104 JF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082213032 JF Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O)C(=O)c1ccccc1 ZINC000082213179 JF Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O)C(=O)c1ccccc1 ZINC000082213180 JF Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O)C(=O)c1ccccc1 ZINC000082213181 JF Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O)C(=O)c1ccccc1 ZINC000082213182 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCO)c1 ZINC000082213359 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCO)c1 ZINC000082213360 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCO)c1 ZINC000082213361 JF Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCO)c1 ZINC000082213362 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCO ZINC000082213422 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCO ZINC000082213423 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCO ZINC000082213424 JF Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCO ZINC000082213425 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082213765 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082213766 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082213767 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000082213790 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000082213791 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000082213792 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccco3)C2)c1 ZINC000082213793 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082213900 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082213901 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082213902 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082213903 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000082213984 JF Annotated Mild COc1cccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000082213985 JF Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000082213986 JF Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000082213987 JF Annotated Mild COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082214016 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082214017 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082214018 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082214019 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214100 JF Annotated Mild COc1cccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214101 JF Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214102 JF Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cccnc3SC)C2)c1 ZINC000082214103 JF Annotated Mild COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000082214450 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000082214451 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000082214452 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000082214453 JF Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214869 JF Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214871 JF Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214873 JF Annotated Bother COc1cc(-c2nc(N3CCN(C(C)=O)CC3)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082216590 JF Annotated Anodyne COc1cc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082216596 JF Annotated Anodyne COc1cc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082216597 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082218455 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218457 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218459 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000082218499 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@H](C)O)cc1OC ZINC000082218504 JF Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@@H](C)O)cc1OC ZINC000082218505 JF Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082218603 JF Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)CN(C)C(=O)c1ccccc1 ZINC000082218604 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082218623 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082218625 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218628 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218629 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000082218748 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218749 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000082218751 JF Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082218753 JF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082220008 JF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082220011 JF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082220014 JF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082220015 JF Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082220793 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082220796 JF Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000082220798 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220929 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220932 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220934 JF Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220935 JF Annotated Anodyne CC(=O)OC(C)(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222869 JF Annotated Anodyne CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082222906 JF Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@H](C)CN3)cc1 ZINC000082224481 JF Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@@H](C)CN3)cc1 ZINC000082224482 JF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](CC)N2 ZINC000082228005 JF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC)N2 ZINC000082228007 JF Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H](O)C3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231348 JF Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H](O)C3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231349 JF Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H]3CO)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231458 JF Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H]3CO)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231459 JF Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O ZINC000082231512 JF Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H](CO)C3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231587 JF Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H](CO)C3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231588 JF Annotated Anodyne O=C(NCCCc1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231613 JF Annotated Anodyne O=C(NCCCc1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231614 JF Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(O)CC3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082232182 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235188 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235189 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235190 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235191 JF Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235223 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235224 JF Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235225 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235226 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235303 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235304 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235305 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235306 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235307 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235308 JF Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235309 JF Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235310 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235315 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235316 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235317 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235318 JF Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C)CC(C)(C)C ZINC000082235323 JF Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C)CC(C)(C)C ZINC000082235324 JF Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C)CC(C)(C)C ZINC000082235325 JF Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C)CC(C)(C)C ZINC000082235326 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000082235393 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000082235394 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000082235395 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082235400 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082235401 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000082235402 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235445 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235446 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235447 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235448 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082235477 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082235478 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082235479 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082235480 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235481 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082235482 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000082235495 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000082235496 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000082235497 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000082235498 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235538 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235539 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235540 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235541 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082235807 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082235808 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082235809 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082235810 JF Annotated Mild CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235838 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235839 JF Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235840 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235841 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082235926 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CC(C)C ZINC000082235927 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082235928 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000082235929 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000082235930 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CC(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000082235931 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000082235932 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CC(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000082235933 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235934 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CC(C)C)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235935 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CC(C)C)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235936 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CC(C)C)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082235937 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235950 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235951 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235952 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235953 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CCSC ZINC000082235986 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CCSC ZINC000082235987 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CCSC ZINC000082235988 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CCSC ZINC000082235989 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000082236002 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236003 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000082236004 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236005 JF Annotated Mild CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000082236058 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000082236059 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082236060 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082236061 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236085 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236086 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236087 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236088 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082236089 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082236090 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082236091 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082236092 JF Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236093 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236094 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236095 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2c(C)cccc2C(=O)N1[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 ZINC000082236096 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000082236109 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000082236110 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000082236111 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000082236112 JF Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082236129 JF Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082236130 JF Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082236131 JF Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082236132 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000082236163 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C(C)C)N([C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000082236164 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000082236165 JF Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C(C)C)N([C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1)C2=O ZINC000082236166 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000082236171 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000082236172 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082236173 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082236174 JF Annotated Anodyne CS[C@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082236199 JF Annotated Anodyne CS[C@H](C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236200 JF Annotated Anodyne CS[C@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082236201 JF Annotated Anodyne CS[C@H](C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236202 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CCSC ZINC000082236220 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CCSC ZINC000082236221 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CCSC ZINC000082236222 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CCSC ZINC000082236223 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236254 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236255 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236256 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236257 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082236263 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccccc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082236264 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@H](C)CC ZINC000082236269 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236270 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000082236271 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236272 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082236381 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082236382 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236383 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236384 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236385 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C ZINC000082236386 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000082236487 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000082236488 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000082236489 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000082236490 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000082236517 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000082236518 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000082236519 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000082236520 JF Annotated Mild CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236537 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236538 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000082236539 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000082236540 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000082236597 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000082236598 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000082236599 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000082236600 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236610 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C ZINC000082236611 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000082236612 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C ZINC000082236613 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@H](C)CC ZINC000082236662 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236663 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000082236664 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236665 JF Annotated Mild CC[C@H](C)[C@@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236685 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236686 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cccc(Cl)c2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236687 JF Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236701 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236702 JF Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236703 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236704 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236707 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236708 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236709 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236710 JF Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236727 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236728 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236729 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236730 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236763 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236764 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236779 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236780 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236781 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236782 JF Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236786 JF Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1C(C)C ZINC000082236787 JF Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236788 JF Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1C(C)C ZINC000082236789 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000082236810 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082236811 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000082236812 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082236813 JF Annotated Mild CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082236830 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082236831 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000082236832 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000082236833 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000082236886 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000082236887 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082236888 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000082236889 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082236909 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000082236910 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000082236911 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000082236912 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000082236960 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082236961 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000082236962 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082236963 JF Annotated Mild CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236984 JF Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236985 JF Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236986 JF Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2ccc(Cl)cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000082236987 JF Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237002 JF Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237003 JF Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237004 JF Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237005 JF Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237008 JF Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237009 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237010 JF Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237011 JF Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082237037 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082237038 JF Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082237039 JF Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082237040 JF Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237073 JF Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237074 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237093 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237094 JF Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237095 JF Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237096 JF Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237100 JF Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1C(C)C ZINC000082237101 JF Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237102 JF Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1C(C)C ZINC000082237103 JF Annotated Anodyne C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082237160 JF Annotated Anodyne C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082237161 JF Annotated Anodyne C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082237162 JF Annotated Anodyne C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H]1CC=CCC1 ZINC000082237163 JF Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082237168 JF Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C ZINC000082237169 JF Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082237170 JF Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cc3ccccc3cc2C1=O ZINC000082237171 JF Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C(=O)[C@H](O)/C=C/[C@@H](OC(C)=O)[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000084153956 JF Annotated Mild in-vitro biogenic CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)c(OC)c1)N[C@@]2(C)C(=O)OC ZINC000084559545 JF Annotated Anodyne NC(=O)CN1CCN(Cc2nc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)ns2)CC1 ZINC000084587622 JF Annotated Anodyne N#CC1(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)nc3ccc(-c4ccc(F)nc4)nc23)CC1 ZINC000084596411 JF Annotated Mild C/C(=C\C(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@](O)([C@@H](C)O)[C@@]12C)C(C)C ZINC000084597110 JF Annotated Anodyne C/C(=C\C(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@](O)([C@H](C)O)[C@@]12C)C(C)C ZINC000084597111 JF Annotated Anodyne CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCC(=O)O ZINC000084616213 JF Annotated Anodyne C=CCCCCOc1cc2c(c(OCCCCC=C)c1OC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000084618519 JF Annotated Mild CN(CC(N)=O)Cc1nc(-c2cn(CC3CCS(=O)(=O)CC3)c3c(Cl)cccc23)ns1 ZINC000084618914 JF Annotated Anodyne COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3)C[C@]21C ZINC000084619954 JF Annotated Anodyne CC[C@@H](C)C(=O)C1=C2O[C@H](C(C)(C)O)C[C@]2(C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000084633687 JF Annotated Mild CC[C@H](C)C(=O)C1=C2O[C@H](C(C)(C)O)C[C@]2(C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000084633689 JF Annotated Mild CC(=O)NCCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000084633747 JF Annotated Anodyne CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCOCCO ZINC000084634265 JF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2C(c3ccc(O)cc3)=C(c3ccc(O)cc3)[C@@H]([C@H]1C(=O)OCC)S2=O ZINC000084653421 JF Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C(=O)c4ccccc4)[C@H]32)[C@@H]1O ZINC000084654058 JF Annotated Anodyne Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3)C4)nc2s1 ZINC000084654095 JF Annotated Anodyne COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)C(=O)N(CCN1CCCC1)C2 ZINC000084654688 JF Annotated Anodyne CN(C)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccsc4)[nH]c23)cc1 ZINC000084655529 JF Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(N)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084668546 JF Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084668547 JF Annotated Reactive Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)cc2)n1 ZINC000084669007 JF Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]2CCCCN2)sc1CO ZINC000084669614 JF Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]2CCCCN2)sc1CO ZINC000084669615 JF Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]2CCCCN2)sc1CO ZINC000084669616 JF Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]2CCCCN2)sc1CO ZINC000084669617 JF Annotated Anodyne COC1=CC2(C=C(OC)C1=O)CC[C@H]1c3c(cc(OC)c(O)c32)CCN1S(=O)(=O)C(F)(F)F ZINC000084669801 JF Annotated Mild CN(C)S(=O)(=O)N1CCN(/C(C=N)=C(\OC2CCCC2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000084670581 JF Annotated Anodyne CC(C)NS(=O)(=O)N1CCN(/C(C=N)=C(\OC2CCCC2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000084671059 JF Annotated Anodyne CNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000084671252 JF Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCCN2C)sc1CCO ZINC000084671562 JF Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCCN2C)sc1CCO ZINC000084671563 JF Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCCN2C)sc1CCO ZINC000084671564 JF Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCCN2C)sc1CCO ZINC000084671565 JF Annotated Anodyne CC(=O)N1CCCC[C@H]1[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1nc(C)c(CCO)s1 ZINC000084671566 JF Annotated Anodyne CC(=O)N1CCCC[C@H]1[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1nc(C)c(CCO)s1 ZINC000084671567 JF Annotated Anodyne CC(=O)N1CCCC[C@@H]1[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1nc(C)c(CCO)s1 ZINC000084671568 JF Annotated Anodyne CC(=O)N1CCCC[C@@H]1[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1nc(C)c(CCO)s1 ZINC000084671569 JF Annotated Anodyne Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2/C=C/CO)cc1 ZINC000084687467 JF Annotated Anodyne Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2/C=C/CO)cc1 ZINC000084687468 JF Annotated Anodyne COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(-n3cncn3)cc2)cc(OC)c1Br ZINC000084687703 JF Annotated Reactive COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(-n3cncn3)cc2)cc(OC)c1Br ZINC000084687704 JF Annotated Reactive CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(=O)NC)c3)cnc2[nH]1 ZINC000084687918 JF Annotated Anodyne COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(-n3ccnn3)cc2)cc(OC)c1Br ZINC000084688339 JF Annotated Reactive COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(-n3ccnn3)cc2)cc(OC)c1Br ZINC000084688340 JF Annotated Reactive NC(=O)[C@@H](CCC(F)(F)F)N(CCCc1ncon1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084689207 JF Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(CC1(c2ncon2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084689211 JF Annotated Anodyne COC(=O)[C@@H]1C[C@]23C4=NC[C@@H](C)[C@]45C[C@@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](CCC2=C3[C@@H]1CC2)[C@H]5O ZINC000084690666 JF Annotated Anodyne CN(c1ccccc1)c1cc(NCCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000084690870 JF Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1C[C@@H]2CN(c3ccncc3)C[C@@H]2C1 ZINC000084690955 JF Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1C[C@H]2CN(c3ccncc3)C[C@@H]2C1 ZINC000084690956 JF Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1C[C@@H]2CN(c3ccncc3)C[C@H]2C1 ZINC000084690957 JF Annotated Anodyne COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccc(OC)cc2)C1=O ZINC000084705483 JF Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(OC(=O)CN2CCCCC2)CC1 ZINC000084706160 JF Annotated Bother CC(C)c1nc(CN2C(=O)N(C)[C@]3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cs1 ZINC000084706709 JF Annotated Anodyne CC(C)c1nc(CN2C(=O)N(C)[C@@]3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cs1 ZINC000084706712 JF Annotated Anodyne CC1(C)COCc2sc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)CC3)nc21 ZINC000084707319 JF Annotated Mild Cc1onc(-c2ccccc2)c1CN1C(=O)N[C@]2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000084708194 JF Annotated Anodyne Cc1onc(-c2ccccc2)c1CN1C(=O)N[C@@]2(C1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12 ZINC000084708196 JF Annotated Anodyne COc1ccc(/C=N/NC(=O)c2nc3c(c(=O)[nH]2)[C@H]2CCCN2C(=O)N3c2ccccc2)cc1 ZINC000084710948 JF Annotated Reactive COc1ccc(/C=N/NC(=O)c2nc3c(c(=O)[nH]2)[C@@H]2CCCN2C(=O)N3c2ccccc2)cc1 ZINC000084710950 JF Annotated Reactive COc1ccc(/C=N/NC(=O)c2nc3c(c(=O)[nH]2)[C@H]2CCCN2C(=O)N3c2ccccc2)cc1O ZINC000084710957 JF Annotated Reactive COc1ccc(/C=N/NC(=O)c2nc3c(c(=O)[nH]2)[C@@H]2CCCN2C(=O)N3c2ccccc2)cc1O ZINC000084710959 JF Annotated Reactive CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N1C(=O)c2ccccc2C1=O ZINC000084712117 JF Annotated Anodyne C=C1CC[C@H]2[C@](C)(/C=C/[C@H](O)C(C)(C)O)CCC[C@]2(C)[C@H]1CC(=O)NCCS(=O)(=O)O ZINC000084713206 JF Annotated Mild CCOC(=O)c1c(-c2ccccc2)c(C#N)c(=O)n(-n2c(C)nc3ccc(C)cc3c2=O)c1N ZINC000084713716 JF Annotated Mild CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1cc(C)cnc1C ZINC000084724502 JF Annotated Anodyne C#CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N1C(=O)c2ccccc2C1=O ZINC000084724871 JF Annotated Mild COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(N3CCOCC3)nc2)cc(OC)c1Br ZINC000084725263 JF Annotated Reactive COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(N3CCOCC3)nc2)cc(OC)c1Br ZINC000084725268 JF Annotated Reactive CS(=O)(=O)c1ccc(Cc2nnc3n2N=C(c2cc4ccccc4c(=O)o2)CS3)cc1 ZINC000084726433 JF Annotated Anodyne C=C(CCCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000084739608 JF Annotated Mild CCCCCC[C@@H](C)NC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000084739825 JF Annotated Anodyne CCCCCC[C@H](C)NC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000084739828 JF Annotated Anodyne CCCCCC[C@@H](C)NC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000084739830 JF Annotated Anodyne CCCCCC[C@H](C)NC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000084739833 JF Annotated Anodyne COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C(C)(C)CN(C)C)CC2)c(C)c1 ZINC000084740176 JF Annotated Anodyne Cn1cncc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12 ZINC000084740874 JF Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCCOC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000084756961 JF Annotated Clean CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(-c4cnn(C)c4)nn3c2)c1F ZINC000084757217 JF Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]2CCCCN2)sc1CCO ZINC000084758269 JF Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]2CCCCN2)sc1CCO ZINC000084758270 JF Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]2CCCCN2)sc1CCO ZINC000084758271 JF Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]2CCCCN2)sc1CCO ZINC000084758272 JF Annotated Anodyne O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000084758946 JF Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)C2=C(c3ccccc3)NN(C)c3nc4cccc[n+]4nc32)cc1 ZINC000008576158 JF Annotated Mild COc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)c(O)nc2c1 ZINC000008582480 JF Annotated Anodyne CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000008585644 JF Annotated Mild CCn1c(=O)c2sccc2n2c(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nnc12 ZINC000008589641 JF Annotated Clean Cc1cccc(N(C)C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)c1 ZINC000008589688 JF Annotated Anodyne CCS(=O)(=O)N1CC(=O)N(c2ccc(Cl)cc2)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000008590595 JF Annotated Anodyne CCS(=O)(=O)N1CC(=O)N(c2ccc(Cl)cc2)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000008590598 JF Annotated Anodyne COc1cccc(-n2c(=O)c3sccc3n(Cc3cc(=O)n4cc(Cl)ccc4n3)c2=O)c1 ZINC000008593033 JF Annotated Anodyne COCCNC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2c3c(sc21)CCCCC3 ZINC000008593381 JF Annotated Anodyne CCc1ccc(NC(=O)Cn2c(=O)n(C[C@H]3CCCO3)c(=O)c3cc(OC)c(OC)cc32)cc1 ZINC000008593928 JF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2c1=O ZINC000008595094 JF Annotated Anodyne O=C(NC[C@H]1CCCO1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2c1=O ZINC000008595096 JF Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4cccc(C)c4C)CC3)ccc21 ZINC000008595273 JF Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)ccc21 ZINC000008595365 JF Annotated Anodyne COc1ccccc1Cn1c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc2cccnc21 ZINC000008600365 JF Annotated Bother Cc1ccc(NC(=O)Cn2c(=O)ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1N(C)C ZINC000008600655 JF Annotated Anodyne CCOc1ccccc1NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000008600960 JF Annotated Anodyne COc1ccc(C)cc1NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000008600962 JF Annotated Anodyne COc1ccc(N2CCN(C(=O)[C@H](C)n3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)CC2)cc1 ZINC000008604587 JF Annotated Clean COc1ccc(N2CCN(C(=O)[C@@H](C)n3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)CC2)cc1 ZINC000008604590 JF Annotated Clean Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000008604867 JF Annotated Anodyne COc1ccc(CCNC(=O)[C@H](C)n2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1OC ZINC000008605368 JF Annotated Anodyne COc1ccc(CCNC(=O)[C@@H](C)n2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1OC ZINC000008605369 JF Annotated Anodyne CCc1ccc(NC(=O)Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3cc(OC)c(OC)cc32)cc1 ZINC000008609532 JF Annotated Anodyne CCOc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 ZINC000008609751 JF Annotated Anodyne Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)Cc5ccccc5F)CC4)nc32)cc1 ZINC000008613441 JF Annotated Anodyne COc1ccc(C)cc1NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008619026 JF Annotated Anodyne Cn1c(N)c(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)c(=O)n(Cc2ccccc2)c1=O ZINC000008626746 JF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccccc3)c21 ZINC000008661130 JF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C(=O)N4CCCC4)CC3)c21 ZINC000008661438 JF Annotated Anodyne CCOC(=O)N1CCN(C(=O)CCCCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1 ZINC000008661799 JF Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCC3)nc2c1 ZINC000008666953 JF Annotated Anodyne CCC1=C2CC[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)C(=O)N(CC3CC3)C(=O)N2C1=O ZINC000008679856 JF Annotated Anodyne Cn1c(=O)c(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)c(N)n(Cc2ccccc2)c1=O ZINC000008679953 JF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCC3)nc2c1 ZINC000008680409 JF Annotated Anodyne O=C(CSc1nc2ccccc2s1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000008684381 JF Annotated Anodyne CCCNC(=O)Cn1c(=O)/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C\C(=O)C(C)(C)C ZINC000008685316 JF Annotated Bother CCCNC(=O)Cn1c(=O)/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)s/c1=C\C(=O)C(C)(C)C ZINC000008685321 JF Annotated Bother C[C@H](O/N=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008685551 JF Annotated Mild C[C@@H](O/N=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008685552 JF Annotated Mild O=C1NC(=O)[C@@H](CC(=O)N(Cc2cccs2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 ZINC000008690855 JF Annotated Anodyne O=C1NC(=O)[C@H](CC(=O)N(Cc2cccs2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 ZINC000008690857 JF Annotated Anodyne Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)cc1S(=O)(=O)N(C)C ZINC000008692369 JF Annotated Mild C[C@H](O/N=C/c1ccccc1OC(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008693937 JF Annotated Mild C[C@@H](O/N=C/c1ccccc1OC(F)F)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008693938 JF Annotated Mild CC(C)[C@H](N)C(=O)NC[C@H](CC(=O)NCC1CCC(C(=O)O)CC1)c1ccc(Cl)cc1 ZINC000008743315 JF Annotated Anodyne COc1cccc(NCc2nnc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1 ZINC000008826262 JF Annotated Anodyne COc1cccc(NCc2nnc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1 ZINC000008826263 JF Annotated Anodyne Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CCN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000008828689 JF Annotated Mild CCOC(=O)N1CCN(C(=O)COc2cccc3c2CCN(Cc2ccccc2F)C3=O)CC1 ZINC000008855242 JF Annotated Anodyne CCCN(C(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000008876523 JF Annotated Reactive CCCN(C(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000008876529 JF Annotated Reactive CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O ZINC000085487101 JF Annotated Anodyne in-vitro biogenic C[C@H]1[C@H](O)CC[C@H]2C[C@H](CCCCCCC[C@](O)(CN[C@@]3(C)CCN[C@@H](N)C3)CC(=O)O)CCN21 ZINC000085487942 JF Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H](CCCC[C@H]2C#CC[C@@H]3C[C@@](C)(CCN3)NC[C@](O)(CC(=O)O)CCCC2)CC[C@H]1O ZINC000085488075 JF Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](C[C@@H](CC=O)CCCCCCC[C@](O)(CNC2(C)CCNCC2)CC(=O)O)CC[C@H]1O ZINC000085488094 JF Annotated Mild in-vitro biogenic CCNC[C@@](O)(CCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](O)[C@H](C)N2)[C@H](CC=O)C1)CC(=O)O ZINC000085488133 JF Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](C2CCC(CCCCC[C@](O)(CN[C@H](C)CCO)CC(=O)O)CC2)CC[C@H]1O ZINC000085488168 JF Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H](CCCCCCCCC[C@](O)(CNC2(C)CCNCC2)CC(=O)O)CC[C@H]1O ZINC000085488172 JF Annotated Anodyne in-vitro biogenic CCNC[C@@](O)(CCCCC[C@H]1CC[C@@H]([C@@H]2CC[C@@H](O)[C@H](C)N2)C[C@H]1CNC)CC(=O)O ZINC000085488185 JF Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CC[C@@H](OC(C)=O)[C@@]21CO1 ZINC000085489995 JF Annotated Anodyne in-vitro biogenic CC[C@H](C)[C@@H](NC)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C ZINC000085508449 JF Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@@H](OC(C)=O)[C@@H]3[C@@](C2)([C@@H]1OC(C)=O)[C@]1(O)OC[C@]32CCCC(C)(C)[C@H]2[C@@H]1OC(C)=O ZINC000085509452 JF Annotated Mild in-vitro biogenic CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3CC[C@](C)([C@H](O)c2ccoc2)[C@]12O[C@H]2C(=O)O ZINC000085511117 JF Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O[C@H]1OC[C@@H]3[C@@H](c4cc5c(cc4OC)OCO5)OC[C@]13OC(C)=O)OCO2 ZINC000085531514 JF Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCCC(C)C)CCC[C@H]3[C@H]2[C@@H]1CO ZINC000085532457 JF Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCCC4)CCC[C@H]3[C@H]2[C@@H]1CO ZINC000085532490 JF Annotated Anodyne in-vitro biogenic CC[C@@]1(O)CC[C@@H]2[C@H]3C=C[C@]4(CCC[C@@H]1N24)[C@@H]1C(=C3)O/C(=C2/OC(=O)C(CO)=C2OC)[C@H]1C ZINC000085532510 JF Annotated Anodyne in-vitro biogenic CC1(C)CC[C@H](O)[C@@]2(CO)[C@]13C=CO[C@]2(CCC1=CC(=O)OC1)[C@@]1(C)C#CCCC(=O)O[C@@H]3C1 ZINC000085542153 JF Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CO)[C@@H](O)CC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085542395 JF Annotated Anodyne in-vitro biogenic CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@H]1O ZINC000085549651 JF Annotated Anodyne C=C1[C@H]2C[C@H]3OC(=O)/C=C\C=C\C(=O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C ZINC000085564303 JF Annotated Mild COc1cc([C@@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)c(O)c(OC)c1O ZINC000085567855 JF Annotated Anodyne in-vitro biogenic C/C(=C\C[C@@]12O[C@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O)CCc1ccnc(N)c1 ZINC000085592746 JF Annotated Clean in-vitro biogenic COCCc1cc([C@@H]2C=C[C@@]3(O)Cc4c(cc5oc(CO)cc(=O)c5c4O)O[C@@]3(C)C2)ccc1N ZINC000085593534 JF Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CCCN=C(N)N ZINC000085594062 JF Annotated Mild in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CCCN=C(N)N ZINC000085594063 JF Annotated Mild in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3 ZINC000085594123 JF Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3 ZINC000085594126 JF Annotated Anodyne in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(cc4oc([C@H](O)CCN=C(N)N)cc(=O)c4c3OC3CCCC3)O[C@@H]21 ZINC000085594422 JF Annotated Mild in-vitro biogenic CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(OC)c3c(c(CO)c2O1)O[C@H](C(C)(C)O)C3 ZINC000085594986 JF Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\C[n+]2cc[nH]c2)c2c(cc3c(c2OC)[C@@H]2C=CC[C@@](C)(O)[C@H]2O3)O1 ZINC000085595007 JF Annotated Anodyne in-vitro biogenic C=C1C=C(C(=O)OCC)Oc2cc3c(c(OCC[N+]4=CC=C5N=CC=C54)c21)C[C@@H](C(C)(C)O)O3 ZINC000085595053 JF Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595269 JF Annotated Anodyne in-vitro biogenic CC[C@H](Cc1ccc(O)c(OC)c1)[C@H](O)C[C@@H](O)CCc1cc(OC)c(O)c(OCO)c1 ZINC000085595750 JF Annotated Anodyne in-vitro biogenic CCNCCOc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC)c1O ZINC000085596656 JF Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCNC[C@H](C)O)c3)O2)cc(OC)c1O ZINC000085596688 JF Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)CNC)[C@]1(Cc2ccc(O)c(OC)c2)CCN[C@H](O)C1)OC(C)=O ZINC000085596816 JF Annotated Anodyne in-vitro biogenic CNCCOc1cc(CC/C=C/C(=O)CCc2ccc(O)c(OC)c2)cc(NC(=N)NC)c1O ZINC000085597087 JF Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CCNCC3)c2)ccc1O ZINC000085625563 JF Annotated Clean in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1O)O[C@@H](O)CC3)CC[C@@H](O)CC(=O)CC2 ZINC000085626631 JF Annotated Mild in-vitro biogenic CN[C@H](CCO)Oc1c2cc(cc1OC)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626639 JF Annotated Mild in-vitro biogenic CNCOc1c2cc(cc1OC)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626666 JF Annotated Mild in-vitro biogenic CCC[C@H](CO)C[C@H](O)C[C@@H](CCc1cc(CN2CCCC2=O)c(O)c(OC)c1)OC(C)=O ZINC000085627718 JF Annotated Clean in-vitro biogenic CNC(=N)N[C@@H]1C=CCC[C@@]12C#CC[C@H](Cc1ccc(O)c(OC)c1)[C@@H](OC(C)=O)C[C@@H](O)CC2 ZINC000085628254 JF Annotated Mild in-vitro biogenic CNC(=N)NC[C@]12C#CC[C@H](Cc3ccc(O)c(OC)c3)[C@@H](OC(C)=O)C[C@@H](O)[C@H](CC[C@H]1C)C2 ZINC000085628266 JF Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CCNCC2)c1)OC(C)=O)CNC(=N)NC ZINC000085628290 JF Annotated Anodyne in-vitro biogenic CC[C@]1(CNC(=N)NC)C#CC[C@@H](Cc2ccc(O)c(OC)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628309 JF Annotated Mild in-vitro biogenic CNC(=N)NC[C@H]1C[C@H]2C[C@H](C=C[C@@]2(O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)[C@@H]1C ZINC000085628316 JF Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(OCCC=O)c2)OC(C)=O)CC[C@H]1C ZINC000085628324 JF Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OCCC=O)c1)OC(C)=O)CNC(=N)NC ZINC000085628386 JF Annotated Mild in-vitro biogenic CC(=O)O[C@H](CCc1ccc(O)c(OC2CCNCC2)c1)C[C@@H](O)CCCCCNC[C@H](C)O ZINC000085628439 JF Annotated Anodyne in-vitro biogenic CCC[C@H](CO)CCCC(=O)[C@H](O)C(=O)CCc1cc(Cc2ccnc(N)c2)c(O)c(OC)c1 ZINC000085631631 JF Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H](CO)C(=O)C[C@@H](O)[C@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632396 JF Annotated Anodyne in-vitro biogenic CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@@]4(C)C3=C(C(=O)O[C@H]4c3ccoc3)[C@@]2(O)[C@@]2(C)OC(=O)C[C@@H]12 ZINC000085662201 JF Annotated Anodyne in-man CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@@]4(C)C3=C(C(=O)O[C@H]4c3ccoc3)[C@@]2(O)[C@@]2(C)OC(=O)C[C@H]12 ZINC000085662202 JF Annotated Anodyne in-man CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@@]4(C)C3=C(C(=O)O[C@H]4c3ccoc3)[C@@]2(O)[C@]2(C)OC(=O)C[C@@H]12 ZINC000085662204 JF Annotated Anodyne in-man CC1(C)C(=O)[C@@]2(O)CC3=CCC[C@@]4(C)C3=C(C(=O)O[C@H]4c3ccoc3)[C@@]2(O)[C@]2(C)OC(=O)C[C@H]12 ZINC000085662206 JF Annotated Anodyne in-man C[C@@H](/C=c1/c(=O)n(C)/c(=C\[C@H](C)C(Cl)(Cl)Cl)c(=O)n1C)C(Cl)(Cl)Cl ZINC000085662369 JF Annotated Anodyne O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]1(C=C(Br)[C@@H](O)[C@@H](Br)C1)CCN2 ZINC000085666435 JF Annotated Reactive CO[C@@H]1C[C@@]2(C=C(Br)[C@@H](O)[C@@H](Br)C2)C2=C(N1)C(=O)c1[nH]cc3c1C2=NCC3 ZINC000085666449 JF Annotated Reactive CO[C@]12CC[C@](C)(/C=C3/OC(=O)C(COc4cccc(C=O)c4)=C3[C@H](OC(C)=O)C[C@]1(C)O)O2 ZINC000085722659 JF Annotated Anodyne CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H]3O ZINC000085802121 JF Annotated Reactive CC[C@@H](C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000085883679 JF Annotated Anodyne in-man CC[C@H](C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000085883680 JF Annotated Anodyne in-man CC(=O)O[C@@H]1C[C@@](C)(C(=O)[C@H]2COC(=O)C2)[C@@H]2CC(=O)O[C@@H]3C[C@@H]4C(C)=CCC(=O)[C@]4(C)[C@@H]1[C@@]32C ZINC000085885161 JF Annotated Anodyne C=C/C1=C/N(C)CC[C@@]23C(=O)C[C@@H]1[C@@H](COC(C)=O)[C@@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 ZINC000085899107 JF Annotated Anodyne CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1C=O ZINC000085927487 JF Annotated Reactive in-man CCO[C@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1C=O ZINC000085927490 JF Annotated Reactive in-man CCO[C@@H]1C[C@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1C=O ZINC000085927494 JF Annotated Reactive in-man CCO[C@H]1C[C@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1C=O ZINC000085927500 JF Annotated Reactive in-man CCC(=O)N1c2c(cc(OC)c(OC)c2OC)[C@]23CCN4CCC[C@]5(CC[C@@H]12)CC(=O)O[C@]453 ZINC000085948045 JF Annotated Anodyne CCC1=C(O)C2=C(O)C(=O)C(C3=C(O)C4=C(O)C(=O)C(CC)=C(O)C4=C(O)C3=O)=C(O)C2=C(O)C1=O ZINC000085964707 JF Annotated Mild CCC1=C(O)C(=O)c2c(O)c(O)c(-c3c(O)c(O)c4c(c3O)C(=O)C(CC)=C(O)C4=O)c(O)c2C1=O ZINC000085964710 JF Annotated Mild CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@@]2(O)CCl ZINC000085979760 JF Annotated Reactive in-man CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@@]2(O)CCl ZINC000085979762 JF Annotated Reactive in-man CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)(C)O)C2=C[C@@H](OC(=O)CC(C)C)[C@]3(CO3)[C@H]21 ZINC000086001887 JF Annotated Anodyne in-man CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)(C)O)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@H]21 ZINC000086001891 JF Annotated Anodyne in-man endogenous CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)(C)O)C2=C[C@@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]21 ZINC000086001893 JF Annotated Anodyne in-man CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)(C)O)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]21 ZINC000086001896 JF Annotated Anodyne in-man endogenous COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](CO)[C@H]2COC(C)=O)cc2c1OCO2 ZINC000086022094 JF Annotated Anodyne CC(C)C[C@@H](C(=O)N[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C)N(C)C ZINC000086039567 JF Annotated Anodyne CC[C@@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O[C@H]4C[C@@H](N)[C@@H](O)[C@H](C)O4)c2C3=O)C1 ZINC000087529360 JF Annotated Clean in-vitro NS(=O)(=O)NCc1csc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000087722921 JF Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2CCOCC2)CC3)c1 ZINC000088261035 JF Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2CCOCC2)CC3)c1 ZINC000088261036 JF Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2CCOCC2)CC3)c1 ZINC000088261037 JF Annotated Anodyne Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCOCC2)CC3)c1 ZINC000088261038 JF Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N2CCOCC2)CC3)cn1 ZINC000088261039 JF Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N2CCOCC2)CC3)cn1 ZINC000088261040 JF Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N2CCOCC2)CC3)cn1 ZINC000088261041 JF Annotated Anodyne Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCOCC2)CC3)cn1 ZINC000088261042 JF Annotated Anodyne O=C(O)C(=O)Cc1c(I)[nH]c2c(I)cccc12 ZINC000089203683 JF Annotated Anodyne O=C(O)C(=O)Cc1c(I)[nH]c2cc(I)ccc12 ZINC000089203686 JF Annotated Anodyne O=C(O)C(=O)Cc1c(I)[nH]c2ccc(I)cc12 ZINC000089203689 JF Annotated Anodyne O=C(O)C(=O)Cc1c(I)[nH]c2cccc(I)c12 ZINC000089203691 JF Annotated Anodyne COCc1c(Br)c(C)nc(OCC(=O)NN/C=C2\C=Nc3ccccc32)c1C#N ZINC000089455411 JF Annotated Reactive COC(=O)CCc1c2c(c(O)c(=O)n1C(C)C)C(=O)N(Cc1ccc(F)c(Cl)c1)C2=O ZINC000089464867 JF Annotated Anodyne CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)CS(=O)(=O)c1ccc(Br)cc1 ZINC000089469088 JF Annotated Anodyne O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(I)s2)c([N+](=O)[O-])c1 ZINC000009090830 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 ZINC000009133348 JF Annotated Bother COc1cc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1OC ZINC000009151766 JF Annotated Anodyne COc1cc(NC(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1OC ZINC000009151767 JF Annotated Anodyne CO[C@H]1CCC[C@H]2C1=C(C(=O)O[C@@H](C)OC(=O)OC1CCCCC1)N1C(=O)[C@H]([C@@H](C)O)[C@@H]21 ZINC000009302280 JF Annotated Anodyne in-man CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000009373203 JF Annotated Bother Cc1cc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2c[nH]c3ccccc23)[nH]n1 ZINC000009405273 JF Annotated Anodyne COCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)C1CCN(C(C)=O)CC1 ZINC000009405691 JF Annotated Anodyne CCC(=N\NC(=O)COc1ccccc1OC)/C(CC)=N/NC(=O)COc1ccccc1OC ZINC000009438544 JF Annotated Reactive COc1ccccc1OCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000009438658 JF Annotated Anodyne O=S(=O)(c1ccc(Cl)c(NC(=S)N/N=C/c2c(F)cccc2F)c1)N1CCOCC1 ZINC000009439749 JF Annotated Mild C/C(=N\NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000009440708 JF Annotated Reactive C/C(=N\NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000009440715 JF Annotated Reactive CN(Cc1ccc(OC(F)F)cc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009442502 JF Annotated Anodyne O=C(CSc1nc2ccsc2c(=O)n1CC1CCC(C(=O)O)CC1)NC[C@@H]1CCCO1 ZINC000009474758 JF Annotated Anodyne O=C(CSc1nc2ccsc2c(=O)n1CC1CCC(C(=O)O)CC1)NC[C@H]1CCCO1 ZINC000009474761 JF Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2Cl)cc1 ZINC000009492007 JF Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2Cl)cc1 ZINC000009492008 JF Annotated Anodyne COCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)c3c(c1)OCO3)n2Cc1ccccc1 ZINC000009493737 JF Annotated Anodyne CCCNC(=O)Cn1c(=O)/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)s/c1=C\C(=O)C(C)(C)C ZINC000009540548 JF Annotated Bother Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1 ZINC000009605397 JF Annotated Mild C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OCC(N)=O)cc1 ZINC000009613473 JF Annotated Reactive COc1cc(Cl)c(NC(=O)Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)c(OC)c1 ZINC000009616871 JF Annotated Anodyne COc1cc(Cl)c(NC(=O)Cn2c(=O)n(C[C@H]3CCCO3)c(=O)c3ccccc32)c(OC)c1 ZINC000009616874 JF Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1OC ZINC000009673064 JF Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(C)cc3)[C@H]4C2=O)cc1OC ZINC000009673065 JF Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(C)cc3)[C@H]4C2=O)cc1OC ZINC000009673066 JF Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000009680378 JF Annotated Anodyne CCCOc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2CCO)cc1OCC ZINC000009714674 JF Annotated Anodyne CCn1c(NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)nc2ccccc2c1=O ZINC000009857009 JF Annotated Reactive Cc1sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000009935546 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000009935609 JF Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000009935613 JF Annotated Anodyne C[C@H]1C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C[C@@]1(C)O ZINC000095099264 JF Annotated Mild in-vitro biogenic CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000095099314 JF Annotated Anodyne in-vitro biogenic C=c1[nH]n(-c2ccc(Cl)c(C(=O)O)c2)c(=O)/c1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000095536008 JF Annotated Anodyne O=C1[C@@H]2C=C[C@H](n3nc(O)n(Cc4ccccc4)c3=O)C[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000095549903 JF Annotated Anodyne O=C1[C@@H]2C=C[C@@H](n3nc(O)n(Cc4ccccc4)c3=O)C[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000095549904 JF Annotated Anodyne NS(=O)(=O)c1ccc(N/N=C/c2cc(C(=O)N/N=C/c3cccc(O)c3)c3ccccc3n2)cc1 ZINC000095552022 JF Annotated Reactive COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](/N=C(\NC#N)Nc2ccc(Cl)cc2)[C@@H]1O ZINC000095553109 JF Annotated Mild Cc1nc(N(C)CC2CC2)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1 ZINC000095553985 JF Annotated Anodyne CN(C)C(=O)c1ccc(C(=O)N2CCC(c3ccc(C(=O)N=C(N)N)cc3C(F)(F)F)CC2)cc1 ZINC000095554225 JF Annotated Mild Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1 ZINC000095554355 JF Annotated Anodyne Cc1nn(C)c2ccc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)cc12 ZINC000095554899 JF Annotated Mild Cc1nc(N[C@H](C)C2CC2)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1 ZINC000095555030 JF Annotated Anodyne Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1 ZINC000095555101 JF Annotated Anodyne Cc1nc(NC2CC2)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1 ZINC000095555762 JF Annotated Anodyne Cc1nn(C)c2cc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)ccc12 ZINC000095556162 JF Annotated Mild O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1cc(N2C(=O)c3ccccc3C2=O)ccc1O ZINC000095556595 JF Annotated Anodyne O[C@@](CN1CCN(c2ccc(OCc3ccncc3)cc2)CC1)(Cn1cncn1)c1ccccc1 ZINC000095556607 JF Annotated Clean O[C@](CN1CCN(c2ccc(OCc3ccncc3)cc2)CC1)(Cn1cncn1)c1ccccc1 ZINC000095556608 JF Annotated Clean Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](C3(O)CC3)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1 ZINC000095556793 JF Annotated Anodyne COc1cc(O)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O ZINC000095558167 JF Annotated Anodyne COc1cc(O)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O ZINC000095558168 JF Annotated Anodyne O=C1c2c(O)c(O)cc(S(=O)(=O)NCc3ccccn3)c2CN1Cc1ccc(F)c(Cl)c1 ZINC000095558178 JF Annotated Clean CCOc1cc(/C=N\Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)ccc1O ZINC000095558301 JF Annotated Mild NC(=O)c1nc(-c2cn(Cc3ccc4ccc5cccc6ccc3c4c56)nn2)n(COCCO)n1 ZINC000095558735 JF Annotated Bother COc1c2c(cc3c1[C@H]1C(=O)OC[C@H]1[C@H](C(=O)n1ccnc1)[C@@H]3c1ccc3c(c1)OCO3)OCO2 ZINC000095559266 JF Annotated Anodyne N[C@@H](CC(=O)NC1(c2cccc(-c3cn[nH]c3)c2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000095559316 JF Annotated Anodyne CCc1cnc(N2CCC([C@@H]3Cc4cc(C5CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)nc1 ZINC000095559384 JF Annotated Anodyne CCc1cnc(N2CCC([C@H]3Cc4cc(C5CCN(S(C)(=O)=O)CC5)ncc4O3)CC2)nc1 ZINC000095559385 JF Annotated Anodyne CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1 ZINC000095559673 JF Annotated Anodyne N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(=O)n3ccccc23)CC1 ZINC000095559802 JF Annotated Mild CCc1cnc(N2CCC(n3ncc(COc4ccc(-n5cnnn5)cc4)c3C#N)CC2)nc1 ZINC000095559983 JF Annotated Mild COC(=O)c1c(CN2CC[C@@H](S(C)(=O)=O)C2)c(=O)c2ccc(F)cc2n1-c1ccccc1 ZINC000095560378 JF Annotated Anodyne COC(=O)/C(C#N)=C(\Nc1ccc2oc(C)cc2c1)N[C@@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000095560669 JF Annotated Reactive Cn1cncc1-c1cccc(C2(NC(=O)C[C@H](N)Cc3ccccc3F)CCS(=O)(=O)CC2)c1 ZINC000095560926 JF Annotated Anodyne C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NC(=O)CCl)c3)cc21 ZINC000095561129 JF Annotated Reactive C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NC(=O)CCl)c3)cc21 ZINC000095561130 JF Annotated Reactive CC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1 ZINC000095561250 JF Annotated Anodyne N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)N[C@@H]3CCCC[C@H]3O)c(=O)n3ccccc23)CC1 ZINC000095561320 JF Annotated Mild N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)N[C@@H]3CCCOC3)c(=O)n3ccccc23)CC1 ZINC000095561371 JF Annotated Mild N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)N[C@H]3CCCOC3)c(=O)n3ccccc23)CC1 ZINC000095561372 JF Annotated Mild N#Cc1ccc(N2CCN(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(=O)n4ccccc34)CC2)cc1 ZINC000095561695 JF Annotated Mild CCNC(=O)c1ccc(N2[C@H]3CC[C@@H]2CC(NC(=O)c2ccc(C(N)=O)c(NCC4CC4)c2)C3)nc1 ZINC000095562264 JF Annotated Anodyne CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@]1(c1c[nH]c2ccccc12)[C@@H]3O ZINC000095562577 JF Annotated Reactive Cn1nnnc1-c1ccc(OCc2cnn(C3CCN(C(=O)OC4(C)CC4)CC3)c2C#N)c(F)c1 ZINC000095562736 JF Annotated Mild COC1=CC(=O)c2c(cc(OC)c([C@@H](C)C3=C(O)C(=O)c4cc(O)cc(O)c4C3=O)c2O)C1=O ZINC000095563302 JF Annotated Mild Cn1c(C(=O)NN2C(=O)CS[C@H]2c2cc(O)ccc2O)cc(Br)c1Br ZINC000095563437 JF Annotated Clean Cn1c(C(=O)NN2C(=O)CS[C@@H]2c2cc(O)ccc2O)cc(Br)c1Br ZINC000095563438 JF Annotated Clean COC(=O)[C@H](CSC(=O)/C(=C/c1ccc2c(c1)OCO2)OC(C)=O)NC(=O)OC(C)(C)C ZINC000095563604 JF Annotated Mild COC(=O)c1c(CN2CC[C@H](S(C)(=O)=O)C2)c(=O)c2ccc(F)cc2n1-c1ccccc1 ZINC000095563717 JF Annotated Anodyne Cc1nc(C(=O)Nc2cc(-c3cnc4[nH]nc(S(C)(=O)=O)c4c3)cc3[nH]ncc23)cs1 ZINC000095564488 JF Annotated Anodyne NCCCNCCCCNCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000095566219 JF Annotated Mild CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(CCC(=O)OC)C(=O)c1ccccc12 ZINC000095566482 JF Annotated Anodyne COC(=O)[C@@]1(C(C)C)N=C(c2cc(OC)c(OC)c(OC)c2)[C@]2(O1)C(=O)N(C)c1ccccc12 ZINC000095566985 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095567165 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095567549 JF Annotated Mild CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(CCC(=O)OC)C(=O)c1cc(OC)ccc12 ZINC000095567666 JF Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095568007 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(C)C(=O)[C@H]4CC(=O)[C@H]3[C@@H]2c2ccccc2Cl)cc1 ZINC000095568273 JF Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000095568650 JF Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000095568651 JF Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095568951 JF Annotated Mild O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO ZINC000095569174 JF Annotated Anodyne CCN1C(=O)[C@H]2CC(=O)[C@@H]3[C@@H](CN(S(=O)(=O)c4ccc(C)cc4)[C@H]3c3ccccc3F)[C@H]2C1=O ZINC000095569231 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095569261 JF Annotated Anodyne O=C1NC[C@H](CCCCN2CCN(CC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095569537 JF Annotated Anodyne COC(=O)[C@@]1(C(C)C)N=C(c2cc(OC)c(OC)c(OC)c2)[C@]2(O1)C(=O)Nc1ccccc12 ZINC000095569568 JF Annotated Anodyne O=C1NC[C@@H](CCCCN2CCN(CC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095569776 JF Annotated Anodyne CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095569987 JF Annotated Mild CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095570004 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@@H](CCc4ccccc4)[C@@H](C)O)=N[C@H](C)[C@@H]3C(=O)N2)cc1OC ZINC000095570194 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@@H](CCc4ccccc4)[C@@H](C)O)=N[C@@H](C)[C@@H]3C(=O)N2)cc1OC ZINC000095570195 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@@H](CCc4ccccc4)[C@@H](C)O)=N[C@H](C)[C@H]3C(=O)N2)cc1OC ZINC000095570196 JF Annotated Anodyne COc1ccc(CC2=NN3C([C@@H](CCc4ccccc4)[C@@H](C)O)=N[C@@H](C)[C@H]3C(=O)N2)cc1OC ZINC000095570197 JF Annotated Anodyne CCCCCCN1CCN([C@@H]2CN(Cc3cn(Cc4cc(C)cc(C)c4)nn3)S(=O)(=O)C2)CC1 ZINC000095570230 JF Annotated Anodyne CCCCCCN1CCN([C@H]2CN(Cc3cn(Cc4cc(C)cc(C)c4)nn3)S(=O)(=O)C2)CC1 ZINC000095570231 JF Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095570254 JF Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095570255 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095570367 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095570992 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@@H]2[C@H](C(=O)C[C@@H]3C(=O)N(C)C(=O)[C@@H]32)[C@@H]1c1ccc(Cl)cc1 ZINC000095571198 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1C[C@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3CC(=O)[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000095571199 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095571478 JF Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccnc4)c3)n1)[C@H](CCO)N(S(C)(=O)=O)C2 ZINC000095571544 JF Annotated Anodyne COc1cc2c(cc1O)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(OC)c(OC)cc12 ZINC000095571740 JF Annotated Clean COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cc2c(cc1[C@H]3O)OCO2 ZINC000095571809 JF Annotated Anodyne COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cc2c(cc1[C@@H]3O)OCO2 ZINC000095571810 JF Annotated Anodyne O=C1NC(=O)C(=Cc2ccc(OC3CCN(c4ncccc4C(F)(F)F)CC3)cc2)C(=O)N1 ZINC000095572706 JF Annotated Clean COc1cc2c(cc1O)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCCN1CCOCC1)C2=O ZINC000095572910 JF Annotated Clean COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OCc3ccccc3)O[C@H]2[C@@]1(C)F ZINC000095573187 JF Annotated Anodyne COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OCc3ccccc3)O[C@H]2[C@@]1(C)F ZINC000095573188 JF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2CCS(=O)(=O)CC2)nc1C1CCCC1 ZINC000095573315 JF Annotated Anodyne Cc1c([C@H](N)C(=O)OCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000095573545 JF Annotated Clean Cc1c([C@@H](N)C(=O)OCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000095573546 JF Annotated Clean CN1C(=N)N[C@@]2(c3cc(-c4cccc(C#N)c4)cs3)CN(c3ncccc3C#N)C[C@H]2C1=O ZINC000095575064 JF Annotated Mild COC(=O)[C@H]1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC[C@]12OC[C@H](C)O2 ZINC000095575894 JF Annotated Anodyne COC(=O)[C@H]1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC[C@@]12OC[C@H](C)O2 ZINC000095575895 JF Annotated Bother CN(C)C(=O)C1CCN(c2nc(-c3cc(F)c(Cl)cc3F)nc3c2CS(=O)(=O)C3)CC1 ZINC000095577331 JF Annotated Anodyne NC(=O)CC1CCN(c2nc(-c3cc(F)c(Cl)cc3F)nc3c2CS(=O)(=O)C3)CC1 ZINC000095578411 JF Annotated Anodyne NC(=O)CCC1CCN(c2nc(-c3cc(F)c(Cl)cc3F)nc3c2CS(=O)(=O)C3)CC1 ZINC000095579036 JF Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3cccc(Cl)c3)c2)OC1(C)C ZINC000095579580 JF Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC3CCC3)O[C@H]2[C@@]1(C)F ZINC000095579588 JF Annotated Anodyne CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC3CCC3)O[C@H]2[C@@]1(C)F ZINC000095579589 JF Annotated Anodyne COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC3CCCCC3)O[C@H]2[C@@]1(C)F ZINC000095579592 JF Annotated Anodyne COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC3CCCCC3)O[C@H]2[C@@]1(C)F ZINC000095579593 JF Annotated Anodyne C=CCN1C[C@H](C(=O)N(CCCN2CCOCC2)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 ZINC000095580701 JF Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(-n2cc(CO)cn2)cc1 ZINC000095580758 JF Annotated Mild Cn1nccc1-c1cc(CO)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095580868 JF Annotated Mild Cc1cc(O)c(C(=O)NCCCCCCC(=O)Nc2c3sscc-3[nH]c2=O)c(=O)o1 ZINC000095581612 JF Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cc(C(N)=O)cn2)cc1 ZINC000095581917 JF Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(N)=O)c1Cl ZINC000095583099 JF Annotated Anodyne CN(C)CCn1nc2c3c(c(NCC/C=C\CCOS(C)(=O)=O)ccc31)C(=O)c1ccncc1-2 ZINC000095586401 JF Annotated Mild CC(=O)c1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCSCC4)c(F)c3)C(=O)O2)cc1 ZINC000095586687 JF Annotated Anodyne CCNC(=O)c1cccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1 ZINC000095586688 JF Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN4CCC(=O)CC4)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095586799 JF Annotated Mild C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@](C2)(C(=O)C[C@@H]2C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]32C)[C@@H]1OC(C)=O ZINC000095586872 JF Annotated Mild O=C1O[C@@H](CNS(=O)(=O)c2cccs2)CN1c1ccc(N2CCSCC2)c(F)c1 ZINC000095587043 JF Annotated Anodyne O=C1O[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(N2CCSCC2)c(F)c1 ZINC000095587398 JF Annotated Anodyne O=C1O[C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000095587823 JF Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)COC)C3)c2c1Cl ZINC000095588660 JF Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)[C@H](O)[C@@H]([C@@]2(C)CO2)[C@@H]2[C@@H]([C@H](C)OC(C)=O)[C@@H](OC(C)=O)C[C@@H]12 ZINC000095589801 JF Annotated Mild CC(C)(C)n1nnnc1[C@@H](c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1)N1CCCC1 ZINC000095590287 JF Annotated Bother CC(C)(C)n1nnnc1[C@H](c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1)N1CCCC1 ZINC000095590288 JF Annotated Bother O=C1O[C@@H](CNS(=O)(=O)c2cccc(Cl)c2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000095590564 JF Annotated Anodyne Cc1cccc(Oc2cc(S(=O)(=O)N3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2C(=O)O)c1 ZINC000095590855 JF Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN4CCOCC4)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095591211 JF Annotated Mild O=C1O[C@@H](CNS(=O)(=O)c2cccc3cccnc23)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000095592140 JF Annotated Anodyne Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4cccc(F)c4)c3)C2)c(=O)[nH]c1=O ZINC000095592265 JF Annotated Anodyne Cc1n(C)c(I)c(I)[n+]1CC(=O)c1ccccc1 ZINC000095592354 JF Annotated Mild O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CN3CCc4cc(O)c(O)cc4C3)c(O)cc(O)c12 ZINC000095592580 JF Annotated Clean CCN(CC)[C@@H](c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1)c1nnnn1C(C)(C)C ZINC000095592650 JF Annotated Bother CCN(CC)[C@H](c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1)c1nnnn1C(C)(C)C ZINC000095592651 JF Annotated Bother CCc1cnc(N2CCC(N3Cc4cn(-c5ccc(S(C)(=O)=O)cc5F)nc4C3)CC2)nc1 ZINC000095594485 JF Annotated Anodyne Cc1noc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1 ZINC000095594664 JF Annotated Anodyne C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3c(-n4nnc5ccccc54)ccnc23)CCN1C(=O)c1ccccc1 ZINC000095595093 JF Annotated Anodyne Cc1ccc(NC(=S)NNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000095596602 JF Annotated Reactive C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3c(-n4nc5ccccc5n4)ccnc23)CCN1C(=O)c1ccccc1 ZINC000095596854 JF Annotated Anodyne Cc1cnn(-c2ccnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)[C@H](C)C4)c[nH]c23)c1 ZINC000095597870 JF Annotated Anodyne CC(C)OC(=O)N1CCC(N2Cc3cn(-c4ccc(S(C)(=O)=O)cc4F)nc3C2)CC1 ZINC000095598310 JF Annotated Anodyne COc1ccc(CCN2C(=O)CSC[C@]2(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000095598776 JF Annotated Anodyne COc1ccc(CCN2C(=O)CSC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000095598777 JF Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095598824 JF Annotated Mild O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl ZINC000095599137 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccccc1 ZINC000095599146 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1 ZINC000095599533 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C)[C@@H](CO)O2)nn1 ZINC000095599675 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(C#N)c4)cc3C(=O)N2C)O1 ZINC000095599738 JF Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@@H]2CO)cc1 ZINC000095599795 JF Annotated Anodyne COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000095599839 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095599846 JF Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO ZINC000095599899 JF Annotated Anodyne CCCCCCN1CCN([C@@H]2CN(Cc3cn(Cc4cccc(Cl)c4)nn3)S(=O)(=O)C2)CC1 ZINC000095600099 JF Annotated Anodyne CCCCCCN1CCN([C@H]2CN(Cc3cn(Cc4cccc(Cl)c4)nn3)S(=O)(=O)C2)CC1 ZINC000095600100 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095600458 JF Annotated Mild O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2F)O[C@@H]1CO ZINC000095600504 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C ZINC000095600556 JF Annotated Anodyne CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095600599 JF Annotated Mild Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@H]2CO)cc1 ZINC000095600600 JF Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2 ZINC000095600739 JF Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000095600746 JF Annotated Mild O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(F)cc1 ZINC000095600825 JF Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccc2c(c1)OCO2 ZINC000095600964 JF Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccc2c(c1)OCO2 ZINC000095600965 JF Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCOCC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095601244 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095601293 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C3=O)c1 ZINC000095601341 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CCNc2ccc(O)c(O)c2)C3=O)cc1 ZINC000095601559 JF Annotated Clean C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)CC1CCOCC1 ZINC000095601616 JF Annotated Mild CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095601653 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)Nc1nccs1 ZINC000095601665 JF Annotated Anodyne C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1)C1CCCCC1 ZINC000095601681 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)NCc1ccccc1F ZINC000095601684 JF Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCc1ccc(O)cc1 ZINC000095602361 JF Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCc1ccc(O)cc1 ZINC000095602362 JF Annotated Anodyne CCCCCCCCCCSc1nc(N)nc2c1ncn2CC(=O)N[C@@H](CO)C(=O)OCC ZINC000095602597 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095602661 JF Annotated Mild O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095602704 JF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095602713 JF Annotated Anodyne COc1ccc(CCN2C(=O)CC[C@]2(C)c2nnnn2-c2ccc3c(c2)OCCO3)cc1OC ZINC000095602761 JF Annotated Anodyne COc1ccc(CCN2C(=O)CC[C@@]2(C)c2nnnn2-c2ccc3c(c2)OCCO3)cc1OC ZINC000095602762 JF Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OCC)CCC=C3N(Cc3ccco3)C2=O)CC1 ZINC000095603002 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccccc1)[C@@H](C)CO2 ZINC000095603702 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095603735 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095603771 JF Annotated Anodyne CN1CCN(CCCn2c(=O)c3sc4ncccc4c3n3nnc(-c4ccccc4)c23)CC1 ZINC000095603983 JF Annotated Bother COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC ZINC000095604004 JF Annotated Reactive COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@H]1c1cccc(OC)c1OC ZINC000095604005 JF Annotated Reactive O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2F)O[C@H]1CO ZINC000095604008 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095604255 JF Annotated Mild O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095604314 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095604606 JF Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000095604652 JF Annotated Mild CCCCCCN1CCN([C@@H]2CN(Cc3cn(Cc4ccc(Cl)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000095604881 JF Annotated Anodyne CCCCCCN1CCN([C@H]2CN(Cc3cn(Cc4ccc(Cl)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000095604882 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@H]2CO)cc1 ZINC000095604896 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1cccc(F)c1 ZINC000095604913 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCOCC2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095605360 JF Annotated Mild O=C(Nc1cccc(F)c1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO ZINC000095605417 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cncs3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095660963 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000095661009 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000095661018 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000095661049 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccncc3)O[C@@H]1CO2 ZINC000095661058 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccnc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095661067 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3F)cc2OC[C@H](C)NC[C@@H]1C ZINC000095661186 JF Annotated Anodyne COc1cc(CN2CC3(CN(C(C)=O)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095661473 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000095661494 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000095661695 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095661716 JF Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccnc4)c3)n1)[C@@H](CCO)N(S(C)(=O)=O)C2 ZINC000095661768 JF Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)NC1CCCC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095661792 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(Cc2cccnc2)C1 ZINC000095661813 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000095661871 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095662034 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)c1 ZINC000095662077 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(Cc2cccnc2)C1 ZINC000095662094 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000095662132 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095662618 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095662681 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095662716 JF Annotated Anodyne O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1C(=O)Nc1ccccc1 ZINC000095662790 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C(C)=O)C1 ZINC000095662958 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccccc3OC)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095663812 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NCC1CC1 ZINC000095663994 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)NC2CCCC2)C1 ZINC000095664174 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095664327 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccc(F)cc3)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095664606 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@@H]1CN(C)C ZINC000095664687 JF Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095664741 JF Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)CC(=O)N3[C@H]2CO)cc1 ZINC000095664850 JF Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095664851 JF Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095664888 JF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)CC(=O)N3[C@H]2CO)cc1 ZINC000095664913 JF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@H]23)cc1 ZINC000095664924 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccc(F)c3)cc2O[C@H]1CN(C)C ZINC000095665089 JF Annotated Mild CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(C#N)c4)cc3C(=O)N2C)O1 ZINC000095665194 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095665218 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095665257 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)C2CCC2)C1 ZINC000095665756 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)C2CCC2)C1 ZINC000095665758 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccncc3)[C@@H]2N1CCc1ccccc1 ZINC000095665787 JF Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]2N1Cc1nccs1 ZINC000095665794 JF Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000095665796 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CCC2)C1 ZINC000095665826 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CCC2)C1 ZINC000095665828 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095665957 JF Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccn1 ZINC000095665960 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095665975 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095665977 JF Annotated Anodyne COc1cccc(-c2ccc(CC[C@H]3O[C@H]4CC[C@H](CO)O[C@H]4C[C@H]3NS(C)(=O)=O)cc2)c1 ZINC000095666035 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)C3CCCC3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095666061 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)C3CCCC3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095666064 JF Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)Cc3ccccc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095666102 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@H]2N1Cc1nccs1 ZINC000095666172 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C(=O)C2CC2)CC1 ZINC000095666297 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)C2CCCC2)C1 ZINC000095666303 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)C2CCCC2)C1 ZINC000095666305 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095666312 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095666314 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccn1)CC31CN(CC2CC2)C1 ZINC000095666334 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccn1)CC31CN(CC2CC2)C1 ZINC000095666336 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095666392 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095666564 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095666566 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095666605 JF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095666670 JF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095666673 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCc3ccncc3)[C@H]2N1CCc1ccccc1 ZINC000095666756 JF Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@@H]1CO ZINC000095668142 JF Annotated Anodyne O=C(NC1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095668784 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095668808 JF Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@H]1CO ZINC000095675223 JF Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@@H]1CO ZINC000095675224 JF Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@H]1CO ZINC000095675225 JF Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@@H]1CO ZINC000095675226 JF Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@@H]1CO ZINC000095675227 JF Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@H]1CO ZINC000095675228 JF Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@H]1CO ZINC000095675229 JF Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@@H](CCNC(=O)c2cc(Cl)cc(Cl)c2)O[C@@H]1CO ZINC000095675230 JF Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@H]2CO)c1 ZINC000095675798 JF Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@@H]2CO)c1 ZINC000095675799 JF Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@H]2CO)c1 ZINC000095675800 JF Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@@H]2CO)c1 ZINC000095675801 JF Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@H]2CO)c1 ZINC000095675802 JF Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@@H]2CO)c1 ZINC000095675803 JF Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@H]2CO)c1 ZINC000095675804 JF Annotated Anodyne Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)Nc3cc(F)ccc3F)O[C@@H]2CO)c1 ZINC000095675805 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095676285 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095676286 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095676287 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095676288 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095676290 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095676292 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095676336 JF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095676339 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095676341 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095676343 JF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095676346 JF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095676347 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095676349 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](CO)O1)Nc1cc(F)ccc1F ZINC000095676701 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](CO)O1)Nc1cc(F)ccc1F ZINC000095676703 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](CO)O1)Nc1cc(F)ccc1F ZINC000095676707 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](CO)O1)Nc1cc(F)ccc1F ZINC000095676710 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](CO)O1)Nc1cc(F)ccc1F ZINC000095676712 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](CO)O1)Nc1cc(F)ccc1F ZINC000095676714 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](CO)O1)Nc1cc(F)ccc1F ZINC000095676717 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](CO)O1)Nc1cc(F)ccc1F ZINC000095676720 JF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677189 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677190 JF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677191 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677192 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677193 JF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677194 JF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677195 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095677196 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@H]2CO)cc1 ZINC000095677219 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@@H]2CO)cc1 ZINC000095677220 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@H]2CO)cc1 ZINC000095677221 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@@H]2CO)cc1 ZINC000095677222 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095677398 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095677399 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095677400 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095677401 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095677402 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095677403 JF Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677561 JF Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677562 JF Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677563 JF Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677564 JF Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677565 JF Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677566 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO ZINC000095677753 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO ZINC000095677756 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO ZINC000095677758 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO ZINC000095677761 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO ZINC000095677764 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO ZINC000095677766 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO ZINC000095677769 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO ZINC000095677770 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000095677894 JF Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@H]1CO ZINC000095677967 JF Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO ZINC000095677968 JF Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@H]1CO ZINC000095677969 JF Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO ZINC000095677970 JF Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@H]1CO ZINC000095677972 JF Annotated Anodyne O=C(Nc1cccc(F)c1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@H]1CO ZINC000095677975 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(C(=O)C2CCCC2)C[C@@H]1C ZINC000095679172 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(C(=O)C2CCCC2)C[C@@H]1C ZINC000095679174 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(C(=O)C2CCCC2)C[C@H]1C ZINC000095679175 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(C(=O)C2CCCC2)C[C@@H]1C ZINC000095679178 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(C(=O)C2CCCC2)C[C@H]1C ZINC000095679180 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(C(=O)C2CCCC2)C[C@H]1C ZINC000095679181 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679438 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095679440 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679442 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095679444 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679446 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679448 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095679502 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679503 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679504 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095679505 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679506 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095679507 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095679508 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095679581 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095679582 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095679583 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095679584 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095679585 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095679586 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095679587 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095679590 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CC1)[C@@H](C)CO2 ZINC000095679728 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CC1)[C@H](C)CO2 ZINC000095679729 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CC1)[C@@H](C)CO2 ZINC000095679730 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CC1)[C@H](C)CO2 ZINC000095679731 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CC1)[C@H](C)CO2 ZINC000095679732 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CC1)[C@@H](C)CO2 ZINC000095679734 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CC1)[C@@H](C)CO2 ZINC000095679735 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CC1)[C@H](C)CO2 ZINC000095679737 JF Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095679919 JF Annotated Anodyne COCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095679920 JF Annotated Anodyne COCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095679921 JF Annotated Anodyne COCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095679922 JF Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095679923 JF Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095679924 JF Annotated Anodyne COCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]1C ZINC000095679925 JF Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]1C ZINC000095679926 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]1C ZINC000095679961 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]1C ZINC000095679962 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]1C ZINC000095679963 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]1C ZINC000095679964 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]1C ZINC000095679965 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]1C ZINC000095679966 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]1C ZINC000095679967 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095679968 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095679969 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095679970 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095679971 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095679972 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095679973 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095679974 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095680381 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095680414 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095680417 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095680419 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095680421 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095680422 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cccnc1)[C@H](C)CO2 ZINC000095680424 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cccnc1)[C@@H](C)CO2 ZINC000095680425 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cnccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680452 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cnccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680453 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cnccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680455 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cnccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680458 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cnccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680459 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cnccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680461 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1cnccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680462 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@@H]1C ZINC000095680585 JF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@@H]1C ZINC000095680586 JF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@H]1C ZINC000095680587 JF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@@H]1C ZINC000095680588 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@H]1C ZINC000095680590 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@@H]1C ZINC000095680592 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@H](C)NC[C@H]1C ZINC000095680733 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095680735 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@H](C)NC[C@@H]1C ZINC000095680736 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095680737 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@H](C)NC[C@H]1C ZINC000095680740 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@H](C)NC[C@@H]1C ZINC000095680741 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@@H](C)NC[C@H]1C ZINC000095680744 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680837 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680838 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680839 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680840 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680841 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680842 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680843 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccn1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680844 JF Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H]1C ZINC000095680916 JF Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H]1C ZINC000095680917 JF Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H]1C ZINC000095680918 JF Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H]1C ZINC000095680919 JF Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H]1C ZINC000095680920 JF Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H]1C ZINC000095680921 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)Cc2cccnc2)C[C@@H]1C ZINC000095680952 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C ZINC000095680953 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C ZINC000095680954 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)Cc2cccnc2)C[C@@H]1C ZINC000095680955 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C ZINC000095680956 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)Cc2ccccn2)C[C@H]1C ZINC000095681018 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)Cc2ccccn2)C[C@@H]1C ZINC000095681020 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)Cc2ccccn2)C[C@@H]1C ZINC000095681021 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)Cc2ccccn2)C[C@@H]1C ZINC000095681022 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)Cc2ccccn2)C[C@H]1C ZINC000095681023 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)Cc2ccccn2)C[C@H]1C ZINC000095681025 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)Cc2ccccn2)C[C@@H]1C ZINC000095681026 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)Cc2ccccn2)C[C@H]1C ZINC000095681027 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095686925 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095686926 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095686927 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095686928 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095686929 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095686930 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095686931 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H]1C ZINC000095686932 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H]1C ZINC000095686933 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H]1C ZINC000095686934 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H]1C ZINC000095686935 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H]1C ZINC000095686936 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H]1C ZINC000095686937 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H]1C ZINC000095686938 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H]1C ZINC000095686939 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095686961 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095686962 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095686963 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cncnc1)[C@H](C)CO2 ZINC000095686964 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095686965 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1cncnc1)[C@@H](C)CO2 ZINC000095686966 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095687087 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095687088 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095687089 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095687090 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095687091 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095687092 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccncc1)[C@@H](C)CO2 ZINC000095687093 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccncc1)[C@H](C)CO2 ZINC000095687094 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095687156 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095687157 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095687158 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095687159 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095687338 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095687339 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095687340 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095687341 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095687342 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095687343 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095687344 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@@H]1C ZINC000095687438 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095687439 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687440 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687441 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095687442 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095687443 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687444 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687445 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO3)c1 ZINC000095687453 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO3)c1 ZINC000095687454 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO3)c1 ZINC000095687455 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO3)c1 ZINC000095687456 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO3)c1 ZINC000095687457 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO3)c1 ZINC000095687458 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO3)c1 ZINC000095687459 JF Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@H](C)CO3)c1 ZINC000095687460 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687601 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687602 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687603 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687604 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687605 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687606 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687607 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687608 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687655 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687656 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687657 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095687658 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095687659 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095687660 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095687661 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CCCC1)[C@H](C)CO2 ZINC000095687683 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CCCC1)[C@@H](C)CO2 ZINC000095687684 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)C1CCCC1)[C@H](C)CO2 ZINC000095687685 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)C1CCCC1)[C@@H](C)CO2 ZINC000095687686 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@H](C)NC[C@H]1C ZINC000095687742 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095687743 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095687744 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@H](C)NC[C@H]1C ZINC000095687745 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@H](C)NC[C@@H]1C ZINC000095687746 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@@H](C)NC[C@H]1C ZINC000095687747 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@@H](C)NC[C@H]1C ZINC000095687748 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687797 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687798 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687799 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687800 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687801 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687802 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CCCC1)[C@@H](C)CO2 ZINC000095687859 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CCCC1)[C@H](C)CO2 ZINC000095687860 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)C1CCCC1)[C@H](C)CO2 ZINC000095687861 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)C1CCCC1)[C@@H](C)CO2 ZINC000095687862 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687878 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687879 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095687880 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687881 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687882 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095687883 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095687884 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095687979 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095687980 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095687981 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095687982 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095687983 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095687984 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095687985 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095687986 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H]1C ZINC000095688291 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H]1C ZINC000095688292 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H]1C ZINC000095688293 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H]1C ZINC000095688294 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H]1C ZINC000095688295 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H]1C ZINC000095688296 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)NC(C)C)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688303 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)NC(C)C)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688304 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)NC(C)C)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688305 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)NC(C)C)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688306 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)NC(C)C)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688307 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688308 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688473 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688474 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688475 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688476 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688477 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688478 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688479 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688480 JF Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC)ccc2OC[C@@H]1C ZINC000095688637 JF Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC)ccc2OC[C@H]1C ZINC000095688638 JF Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC)ccc2OC[C@H]1C ZINC000095688639 JF Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC)ccc2OC[C@H]1C ZINC000095688640 JF Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC)ccc2OC[C@@H]1C ZINC000095688641 JF Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC)ccc2OC[C@@H]1C ZINC000095688642 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688671 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688672 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688673 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688674 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688675 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688676 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccncc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688677 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688685 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688686 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688687 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688688 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688689 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688690 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cncnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688691 JF Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095688800 JF Annotated Anodyne COCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095688801 JF Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095688802 JF Annotated Anodyne COCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H]1C ZINC000095688803 JF Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095688804 JF Annotated Anodyne COCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H]1C ZINC000095688805 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H]1C ZINC000095688865 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H]1C ZINC000095688866 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H]1C ZINC000095688867 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H]1C ZINC000095688868 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H]1C ZINC000095688869 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H]1C ZINC000095688870 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H]1C ZINC000095688871 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689062 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689064 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689066 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689068 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095689071 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095689073 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095689075 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095689076 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@H](C)NC[C@H]1C ZINC000095689367 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095689369 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095689371 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095689373 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095689375 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@H](C)NC[C@H]1C ZINC000095689377 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095689379 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3C)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095689381 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)NC(C)C)[C@@H](C)CO2 ZINC000095689383 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)NC(C)C)[C@H](C)CO2 ZINC000095689385 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)NC(C)C)[C@@H](C)CO2 ZINC000095689387 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)NC(C)C)[C@H](C)CO2 ZINC000095689389 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)NC(C)C)[C@@H](C)CO2 ZINC000095689391 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)NC(C)C)[C@H](C)CO2 ZINC000095689393 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)NC(C)C)[C@@H](C)CO2 ZINC000095689395 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095689441 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095689443 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095689445 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095689448 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095689449 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095689451 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095689454 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095689456 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095689501 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095689503 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095689505 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095689507 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)c2cccnc2)C[C@H]1C ZINC000095689509 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1cnccn1)[C@@H](C)CO2 ZINC000095689512 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1cnccn1)[C@H](C)CO2 ZINC000095689513 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1cnccn1)[C@H](C)CO2 ZINC000095689516 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1cnccn1)[C@@H](C)CO2 ZINC000095689518 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1cnccn1)[C@H](C)CO2 ZINC000095689520 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1cnccn1)[C@@H](C)CO2 ZINC000095689522 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1cnccn1)[C@H](C)CO2 ZINC000095689524 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1cnccn1)[C@@H](C)CO2 ZINC000095689527 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095689546 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095689548 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095689551 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095689552 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095689554 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095689556 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095689558 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccccn2)C[C@H]1C ZINC000095689560 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095689876 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095689893 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095689895 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)c2ccncc2)C[C@@H]1C ZINC000095689897 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095689899 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)c2ccncc2)C[C@H]1C ZINC000095689901 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H]1C ZINC000095690362 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H]1C ZINC000095690364 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H]1C ZINC000095690366 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H]1C ZINC000095690368 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H]1C ZINC000095690370 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H]1C ZINC000095690372 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H]1C ZINC000095690374 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H]1C ZINC000095690376 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095690566 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690568 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCCC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095690570 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690572 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095690574 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690577 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095690579 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)C1CCCC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690581 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H]1C ZINC000095690672 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H]1C ZINC000095690674 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H]1C ZINC000095690676 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H]1C ZINC000095690678 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H]1C ZINC000095690680 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H]1C ZINC000095690682 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)CC)[C@@H](C)CO2 ZINC000095690755 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)CC)[C@H](C)CO2 ZINC000095690758 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)CC)[C@H](C)CO2 ZINC000095690760 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)CC)[C@@H](C)CO2 ZINC000095690762 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC)[C@H](C)CO2 ZINC000095690764 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC)[C@@H](C)CO2 ZINC000095690765 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC)[C@H](C)CO2 ZINC000095690767 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC)[C@@H](C)CO2 ZINC000095690769 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@H]1C ZINC000095690855 JF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@H]1C ZINC000095690867 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095690891 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690943 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690948 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095690975 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095691004 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095691007 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H]1C ZINC000095691009 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691030 JF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@@H]1C ZINC000095691059 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691146 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095691293 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095691297 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@@H]1C ZINC000095691308 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cncnc2)C[C@H]1C ZINC000095691311 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@@H]1C ZINC000095691330 JF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@H]1C ZINC000095691366 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(Cc2cncnc2)C[C@@H]1C ZINC000095691401 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095691477 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095691487 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095691491 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095691495 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@@H]1C ZINC000095691507 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)Cc2cccnc2)C[C@@H]1C ZINC000095691519 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095691545 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095691547 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095691559 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@@H]1C ZINC000095691784 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095691828 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095691844 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095691873 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095691877 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C ZINC000095691891 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C ZINC000095691946 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C ZINC000095691959 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@H](C)NC[C@H]1C ZINC000095691973 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692038 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095692046 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692124 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095692145 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095692149 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095692166 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095692257 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692261 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692270 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095692278 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095692297 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095692300 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095692304 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095692348 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095692379 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095692413 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000095692436 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C ZINC000095692437 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095692538 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000095692564 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692580 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692588 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)Cc3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692632 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)NC(C)C)C[C@@H]1C ZINC000095692652 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692724 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccccc1)[C@H](C)CO2 ZINC000095692764 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692779 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692795 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692865 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095692953 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095693003 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095693081 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)c1ccccc1)[C@@H](C)CO2 ZINC000095693083 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)C3CCCCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095693242 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccccc1)[C@@H](C)CO2 ZINC000095693256 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)c1ccccc1)[C@@H](C)CO2 ZINC000095693284 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)c1ccccc1)[C@H](C)CO2 ZINC000095693289 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)c1ccccc1)[C@H](C)CO2 ZINC000095693336 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095693338 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095693368 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)Cc2ccccn2)C[C@@H]1C ZINC000095693414 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)Cc2ccccn2)C[C@H]1C ZINC000095693418 JF Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]1C ZINC000095693424 JF Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]1C ZINC000095693436 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095693440 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095693462 JF Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]1C ZINC000095693493 JF Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]1C ZINC000095693521 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095693533 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)Cc2ccccn2)C[C@H]1C ZINC000095693607 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(S(C)(=O)=O)C[C@H]1C ZINC000095693613 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095693658 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(S(C)(=O)=O)C[C@@H]1C ZINC000095693660 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)Cc2ccccn2)C[C@H]1C ZINC000095693697 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095693727 JF Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]1C ZINC000095693748 JF Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]1C ZINC000095693749 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)Cc2ccccn2)C[C@@H]1C ZINC000095693766 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)Cc2ccccn2)C[C@@H]1C ZINC000095693786 JF Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]1C ZINC000095693788 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccccn1)[C@@H](C)CO2 ZINC000095693836 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccccn1)[C@H](C)CO2 ZINC000095693870 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(S(C)(=O)=O)C[C@H]1C ZINC000095693959 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)Cc2ccccn2)C[C@H]1C ZINC000095693991 JF Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]1C ZINC000095693994 JF Annotated Anodyne CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699286 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699361 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699362 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699363 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699847 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699848 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699849 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699850 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699851 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699852 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699853 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699883 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699884 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699885 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699886 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699887 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699888 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095699889 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095699890 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699940 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699941 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699942 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699943 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699944 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699945 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699946 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699947 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700050 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700051 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700052 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700053 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700054 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700055 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700056 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700057 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700120 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700121 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700122 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700123 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700124 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700125 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700126 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700127 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700147 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700148 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700149 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700150 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700151 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700152 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700153 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700154 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700799 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700800 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700801 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700802 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700803 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700804 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700805 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700806 JF Annotated Anodyne COCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701165 JF Annotated Anodyne COCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701166 JF Annotated Anodyne COCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701167 JF Annotated Anodyne COCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701168 JF Annotated Anodyne COCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701169 JF Annotated Anodyne COCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701170 JF Annotated Anodyne COCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701171 JF Annotated Anodyne COCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701172 JF Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701243 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701244 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701245 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701246 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701247 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701248 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701249 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701250 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701370 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701371 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701372 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701402 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701403 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701404 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701405 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701406 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701407 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701408 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701409 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701426 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701427 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701428 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701429 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701430 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701431 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701432 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701433 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095701544 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095701545 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095701546 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701580 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701581 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095701582 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701583 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701584 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701585 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095701586 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701587 JF Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701625 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701626 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701627 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701628 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701629 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701630 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701631 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701632 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095701655 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701656 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCC2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095701657 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095701658 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701659 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095701660 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCC2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095701661 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095701662 JF Annotated Anodyne CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701663 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701664 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701665 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095701666 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095701667 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701668 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701669 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O ZINC000095701670 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701671 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701672 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095701673 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O ZINC000095701674 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095701675 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC(C)(C)O)cc2O[C@H]1CN(C)CC1CCCC1 ZINC000095701706 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(C#CC(C)(C)O)ccc2S1(=O)=O ZINC000095701707 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC(C)(C)O)cc2O[C@@H]1CN(C)CC1CCCC1 ZINC000095701708 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCCCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702057 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702058 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702059 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095702188 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095702189 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095702190 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095702191 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095702192 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095702193 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095702194 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095702195 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095702353 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095702354 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095702355 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095702356 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095702357 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095702358 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095702359 JF Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702709 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702710 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702711 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702712 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NCCC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702713 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702714 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702715 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NCCC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702716 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702741 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702742 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702743 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702744 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702745 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702746 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095703109 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095703110 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(-c3cccc(C#N)c3)ccc2S1(=O)=O ZINC000095703111 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095703112 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095703113 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095703114 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(-c3cccc(C#N)c3)ccc2S1(=O)=O ZINC000095703115 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095703116 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095703254 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095703255 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095703256 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095703257 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095703258 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095703259 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095703260 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095703261 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095703450 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095703451 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095703452 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095703453 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095703454 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095703455 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095703456 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095703457 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095703481 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095703482 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095703483 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095703484 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095703485 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095703486 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095703487 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(OC)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095703488 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708254 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708255 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708256 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708257 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708258 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708259 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708260 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708261 JF Annotated Anodyne CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095708306 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095708307 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095708308 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095708309 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095708310 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095708311 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095708312 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095708313 JF Annotated Mild CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708529 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708530 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708531 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708532 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708533 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708534 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708535 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708536 JF Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708617 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708618 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708619 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708620 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708621 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708622 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708623 JF Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708624 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095708791 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095708792 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccccc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095708793 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095708794 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095708795 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)C(=O)c1ccccc1 ZINC000095708796 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccccc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095708797 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095708798 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708828 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708829 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708830 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708831 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708832 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708833 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708834 JF Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708835 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095708992 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095708993 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095708994 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095708995 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095708996 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095708997 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095708998 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095708999 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709008 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709009 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709010 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709011 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709012 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709013 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709014 JF Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709015 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095709022 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095709023 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095709024 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095709025 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095709026 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095709027 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095709028 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Cc1cccnc1)O2 ZINC000095709029 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095709157 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095709158 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O ZINC000095709159 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095709160 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095709161 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1 ZINC000095709162 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O ZINC000095709163 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccccc1 ZINC000095709164 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709173 JF Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709174 JF Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709175 JF Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709176 JF Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709177 JF Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709178 JF Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709179 JF Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709180 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709205 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709206 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709207 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709208 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709209 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709210 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709211 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709212 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709307 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709308 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709309 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709310 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709311 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709312 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709313 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709314 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709315 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709316 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709317 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709318 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709319 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709320 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709321 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709346 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709347 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709348 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709349 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709350 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709351 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709352 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709353 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccc(F)cc3)cc2O[C@H]1CN(C)C ZINC000095709519 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccc(F)cc3)cc2O[C@@H]1CN(C)C ZINC000095709521 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#Cc3ccc(F)cc3)ccc2S1(=O)=O ZINC000095709522 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccc(F)cc3)cc2O[C@H]1CN(C)C ZINC000095709525 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccc(F)cc3)cc2O[C@@H]1CN(C)C ZINC000095709527 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccc(F)cc3)cc2O[C@H]1CN(C)C ZINC000095709529 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#Cc3ccc(F)cc3)ccc2S1(=O)=O ZINC000095709531 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccc(F)cc3)cc2O[C@@H]1CN(C)C ZINC000095709532 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710028 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710030 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710032 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710033 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710035 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710037 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710039 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710041 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095710044 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095710046 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095710048 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095710050 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095710052 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095710054 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC2CC2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095710056 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095710058 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)CC1CCOCC1 ZINC000095710163 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)CC1CCOCC1 ZINC000095710165 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCOCC2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095710168 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)CC1CCOCC1 ZINC000095710170 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)CC1CCOCC1 ZINC000095710172 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)CC1CCOCC1 ZINC000095710173 JF Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710367 JF Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710369 JF Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710371 JF Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710374 JF Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710376 JF Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710378 JF Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710380 JF Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710383 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710622 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710624 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710626 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710628 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710630 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710632 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710634 JF Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710636 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710652 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710654 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710656 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710658 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710660 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710662 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710665 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710667 JF Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711258 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711261 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711263 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711265 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711267 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711269 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711271 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095711273 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095711275 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095711276 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095711277 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095711280 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095711282 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC2CC2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095711284 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095711286 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095711841 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095711843 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(C#Cc3ccccn3)ccc2S1(=O)=O ZINC000095711845 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095711847 JF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711867 JF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711868 JF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711870 JF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccccn3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711872 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711954 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711956 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711958 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711960 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711962 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711964 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711967 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711969 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712025 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712028 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712030 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712032 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712034 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712036 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712038 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712137 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712140 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712143 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712146 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712150 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712153 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712158 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712161 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095712246 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095712249 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095712251 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095712254 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095712257 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095712260 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1cccnc1)O2 ZINC000095712265 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712629 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712632 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712635 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712638 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712641 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712646 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712649 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712652 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@H]1CN(C)C ZINC000095713050 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@@H]1CN(C)C ZINC000095713053 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#Cc3ccccc3F)ccc2S1(=O)=O ZINC000095713058 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@H]1CN(C)C ZINC000095713061 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@H]1CN(C)C ZINC000095713064 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#Cc3ccccc3F)ccc2S1(=O)=O ZINC000095713068 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@@H]1CN(C)C ZINC000095713071 JF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095713214 JF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095713217 JF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095713221 JF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095713224 JF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095713229 JF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095713232 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccc(F)c3)cc2O[C@H]1CN(C)C ZINC000095713826 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccc(F)c3)cc2O[C@@H]1CN(C)C ZINC000095713830 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#Cc3cccc(F)c3)ccc2S1(=O)=O ZINC000095713833 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccc(F)c3)cc2O[C@H]1CN(C)C ZINC000095713837 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccc(F)c3)cc2O[C@@H]1CN(C)C ZINC000095713839 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#Cc3cccc(F)c3)ccc2S1(=O)=O ZINC000095713843 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccc(F)c3)cc2O[C@@H]1CN(C)C ZINC000095713846 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095713998 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095714001 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095714004 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095714007 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095714012 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095714013 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095714017 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095714021 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095714841 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095714843 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(C#Cc3ccccc3)ccc2S1(=O)=O ZINC000095714845 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095714848 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095714850 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(C#Cc3ccccc3)ccc2S1(=O)=O ZINC000095714852 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095714854 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714980 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714983 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095714985 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714987 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095714989 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714991 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095714992 JF Annotated Anodyne CC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095715286 JF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095715287 JF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095715289 JF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095715291 JF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095715294 JF Annotated Mild CC(C)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095715296 JF Annotated Mild COCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715453 JF Annotated Anodyne COCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715455 JF Annotated Anodyne COCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715457 JF Annotated Anodyne COCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715459 JF Annotated Anodyne COCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715460 JF Annotated Anodyne COCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715463 JF Annotated Anodyne COCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715464 JF Annotated Anodyne COCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715466 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715780 JF Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715782 JF Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715784 JF Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715786 JF Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715788 JF Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715790 JF Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715792 JF Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715794 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095715926 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(C#Cc3ccncc3)ccc2S1(=O)=O ZINC000095715928 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095715930 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1cncnc1 ZINC000095716005 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1cncnc1 ZINC000095716007 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cncnc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095716009 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1cncnc1 ZINC000095716010 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1cncnc1 ZINC000095716013 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1cncnc1 ZINC000095716016 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1cncnc1 ZINC000095716018 JF Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cncnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716139 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cncnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716141 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cncnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716143 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cncnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716144 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cncnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716146 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cncnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716148 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cncnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716150 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cncnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716152 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716154 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716155 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716158 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716159 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716162 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716164 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716166 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716168 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095716357 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095716360 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000095716361 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095716364 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095716366 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095716369 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095716688 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095716690 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095716692 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095716694 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095716696 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095716699 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095716700 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095716703 JF Annotated Anodyne CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716751 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716754 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716755 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716757 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716759 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716762 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716764 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716766 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716815 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716818 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716820 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716823 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716825 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716827 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716829 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716994 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095716997 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095716998 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095717000 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095717003 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095717005 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095717007 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095717009 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095717334 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095717336 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCC2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095717338 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095717340 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095717342 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C(=O)C1CCC1 ZINC000095717345 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCC2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095717347 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1 ZINC000095717349 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095725829 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095725830 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095725831 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095725832 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095725833 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccncc1 ZINC000095725834 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095725835 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccncc1 ZINC000095725836 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CCOCC1)O2 ZINC000095725844 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CCOCC1)O2 ZINC000095725845 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CCOCC1)O2 ZINC000095725846 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CCOCC1)O2 ZINC000095725847 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CCOCC1)O2 ZINC000095725848 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095725910 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095725911 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095725912 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095725913 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095725914 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095725915 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095725916 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095725917 JF Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726068 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726069 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726070 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726071 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726072 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726073 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726074 JF Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726075 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095726109 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726169 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726171 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726174 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726176 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726178 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726180 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726182 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726184 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C(C)=O)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095726344 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C(C)=O)[C@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095726346 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C(C)=O)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095726348 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C(C)=O)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095726350 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C(C)=O)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095726353 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C(C)=O)[C@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095726355 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C(C)=O)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)c1 ZINC000095726357 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C(C)=O)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000095726358 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095726491 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095726493 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095726495 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095726497 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095726499 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095726501 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095726503 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095726505 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726795 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726798 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726801 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726805 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726808 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccn1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726811 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726814 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1ccccn1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726815 JF Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726888 JF Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726891 JF Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726895 JF Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726898 JF Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726900 JF Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726903 JF Annotated Mild CC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726906 JF Annotated Mild CC(=O)N(C)C[C@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726910 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095727549 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095727552 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O ZINC000095727556 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095727559 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095727562 JF Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)C(=O)C1CC1 ZINC000095727565 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O ZINC000095727567 JF Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)C(=O)C1CC1 ZINC000095727569 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095727689 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095727690 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095727694 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095727697 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccccn1 ZINC000095727699 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccccn1 ZINC000095727703 JF Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727963 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727967 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727970 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727972 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727975 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727977 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095727979 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095727981 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095728420 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095728423 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095728426 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728428 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095728431 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095728434 JF Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095728436 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728440 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095728792 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095728794 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095728797 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CC1CC1)O2 ZINC000095728800 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095728802 JF Annotated Mild COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095729258 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095729260 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095729263 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095729268 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095729271 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095729273 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095729276 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095729281 JF Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095729952 JF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095729954 JF Annotated Mild CCCN(C)C[C@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095729956 JF Annotated Mild CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095729959 JF Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095730141 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095730145 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095730149 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1cccnc1 ZINC000095730154 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1cccnc1 ZINC000095730157 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000095730160 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095730214 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095731242 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NCCC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095731310 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095731410 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095731424 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095731487 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095731494 JF Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731579 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095731652 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095731875 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)NCCC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732010 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732026 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732041 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732098 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732376 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)CC1CC1 ZINC000095732418 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095732500 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732529 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732554 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732715 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)CC1CC1 ZINC000095732760 JF Annotated Anodyne C[C@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095732834 JF Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(Br)ccc2S1(=O)=O ZINC000095732851 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732859 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732886 JF Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732965 JF Annotated Anodyne CCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732974 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733050 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733083 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733289 JF Annotated Anodyne C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095733393 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733432 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733538 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733785 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733953 JF Annotated Anodyne CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733997 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095734273 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095734289 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095734324 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095734512 JF Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095734569 JF Annotated Mild C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095734743 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095734765 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095734771 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1cccnc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095734929 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095735008 JF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1cccnc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095735062 JF Annotated Anodyne CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095735264 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095735326 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095735347 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095735434 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095735494 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095735529 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095735603 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095735626 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095735682 JF Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095735711 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095735736 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095735748 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095735759 JF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095735771 JF Annotated Mild C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1)C1CCCCC1 ZINC000095755257 JF Annotated Anodyne C#CCN1[C@H](/C=C/C2CC2)[C@H](Cc2ccccc2)OC(=O)[C@@H]1[C@@H]1N[C@@H](C(=O)OC)C(C)(C)S1 ZINC000095783737 JF Annotated Mild CN1CCN(C(=O)C2=C[C@@H](c3ccc(Br)cc3)C[C@@H](OCCCCO)O2)CC1 ZINC000095783812 JF Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@H]2C[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3ccc(O)cc3)N2C1=O ZINC000095784415 JF Annotated Anodyne C=CCN(Cc1ccccc1)C(=O)[C@H]1N(Cc2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 ZINC000095785132 JF Annotated Mild C=CCN(Cc1ccccc1)C(=O)[C@H]1N(Cc2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@]12O3 ZINC000095785134 JF Annotated Mild O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095793483 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095793494 JF Annotated Anodyne COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@@H](CO)O[C@H]3C[C@@H]2n2cc(C3(O)CCCC3)nn2)cc1 ZINC000095793507 JF Annotated Mild CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccc2c(c1)OCO2 ZINC000095793511 JF Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCC1 ZINC000095793552 JF Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCCC1 ZINC000095793557 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095793561 JF Annotated Anodyne O=C(NC1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095793564 JF Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCc1ccncc1 ZINC000095793575 JF Annotated Anodyne COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@@H]2n2cc(C3(O)CCCC3)nn2)cc1 ZINC000095793581 JF Annotated Mild CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO ZINC000095793583 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095793589 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Cc1ccccn1)CC31CN(Cc2ccccn2)C1 ZINC000095793640 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(C(=O)CC2CC2)C1 ZINC000095793642 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(C(=O)CC2CC2)C1 ZINC000095793643 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccn1)CC31CN(Cc2ccccn2)C1 ZINC000095793688 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccn1)CC31CN(Cc2ccccn2)C1 ZINC000095793690 JF Annotated Anodyne COc1cc(CN2CC3(CN(C(C)=O)C3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095793726 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccccc3OC)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095793735 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095793804 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095793806 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CCC3(CC2)CN[C@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095793807 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CCC3(CC2)CN[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)c1 ZINC000095793809 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)Nc2ccccc2F)C1 ZINC000095793861 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)Nc2ccccc2F)C1 ZINC000095793862 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3ccccn3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095793878 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3ccccn3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095793879 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095793930 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095793961 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095794028 JF Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H]1C ZINC000095794223 JF Annotated Anodyne CC(C)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CCN1CCCCC1)O2 ZINC000095794327 JF Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@H](C)N(C(=O)C2CCCC2)C[C@H]1C ZINC000095794704 JF Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(C(=O)NC1CCCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095794743 JF Annotated Anodyne O=C(Cc1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794756 JF Annotated Anodyne O=C(Cc1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794757 JF Annotated Anodyne O=C(Cc1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794758 JF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095795161 JF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095795162 JF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095795163 JF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795164 JF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795165 JF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795166 JF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095795167 JF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795206 JF Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795247 JF Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795248 JF Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095795249 JF Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095795251 JF Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795273 JF Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095795274 JF Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095795275 JF Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795309 JF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795311 JF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795312 JF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095795313 JF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795314 JF Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795315 JF Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095795333 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795410 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095795411 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095795441 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795443 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095795445 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795447 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795449 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095795450 JF Annotated Mild O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]2[C@@H](c3ccc(C4=CCCC4)cc3)[C@H](CO)N12 ZINC000095795477 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]2[C@H](c3ccc(C4=CCCC4)cc3)[C@H](CO)N12 ZINC000095795478 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]2[C@@H](c3ccc(C4=CCCC4)cc3)[C@H](CO)N12 ZINC000095795479 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]2[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H](CO)N12 ZINC000095795480 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]2[C@H](c3ccc(C4=CCCC4)cc3)[C@@H](CO)N12 ZINC000095795505 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]2[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H](CO)N12 ZINC000095795676 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]2[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H](CO)N12 ZINC000095795677 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]2[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H](CO)N12 ZINC000095795678 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H](CO)N12 ZINC000095795679 JF Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795702 JF Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795703 JF Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795704 JF Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095795705 JF Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095795727 JF Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095795728 JF Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795729 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795754 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795755 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095795756 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095795757 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795802 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095795803 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095795804 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095795805 JF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095795820 JF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095795821 JF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095795873 JF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095795874 JF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095795875 JF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095795876 JF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095795877 JF Annotated Mild O=C(Nc1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095795890 JF Annotated Mild CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095795931 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H]1C ZINC000095795937 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095795964 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)NC2CCCC2)C1 ZINC000095795975 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccccc3)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095795978 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccccc3)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095795979 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795989 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@H]1C ZINC000095795992 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095795999 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccc(F)cc3)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095796010 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796037 JF Annotated Anodyne COCC#Cc1ccc(CC[C@H]2O[C@H]3CC[C@H](CO)O[C@H]3C[C@H]2n2cc(C3(O)CCCC3)nn2)cc1 ZINC000095796066 JF Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095796067 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095796073 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095796100 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095796101 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095796130 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000095796146 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095796149 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095796152 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CC3(CCN(C)CC3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095796167 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CC3(CCN(C)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095796168 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CN(CC2CCOCC2)C1 ZINC000095796169 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C(C)=O)C1 ZINC000095796175 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)CC3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796206 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095796223 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000095796224 JF Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@@H]1C ZINC000095796228 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccccc3F)[C@@H](CO)c3[nH]c4cc(OC)ccc4c32)C1 ZINC000095796276 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccccc3F)[C@H](CO)c3[nH]c4cc(OC)ccc4c32)C1 ZINC000095796277 JF Annotated Anodyne CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095796285 JF Annotated Mild CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095796287 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@H]34)cc2)c1 ZINC000095796292 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095796317 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccnc1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095796318 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@@H]1C ZINC000095796323 JF Annotated Anodyne COc1ccc(NC(=O)N2CC3(C2)CN(C(C)=O)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)cc1 ZINC000095796339 JF Annotated Anodyne COc1ccc(NC(=O)N2CC3(C2)CN(C(C)=O)[C@H](CO)c2[nH]c4cc(OC)ccc4c23)cc1 ZINC000095796341 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095796361 JF Annotated Anodyne CN(C)CC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1 ZINC000095796474 JF Annotated Mild COCC(=O)N1CC2(C1)CN(Cc1ccccc1F)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796475 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1ccccc1F)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796476 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1cccc(F)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796494 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1cccc(F)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796495 JF Annotated Anodyne CCCC(=O)N1CC2(CCN(S(=O)(=O)CC)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796505 JF Annotated Anodyne CCCC(=O)N1CC2(CCN(S(=O)(=O)CC)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095796506 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1cnccn1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095796529 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095796545 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095796546 JF Annotated Anodyne O=S(=O)(Cc1ccccc1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095796566 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095796571 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095796613 JF Annotated Anodyne CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CCOCC1)O2 ZINC000095796624 JF Annotated Mild O=C(Cc1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095796674 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095796678 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095796679 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095796752 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CN(C(=O)NC(C)C)C1 ZINC000095796756 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(S(C)(=O)=O)C1 ZINC000095796772 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(S(C)(=O)=O)C1 ZINC000095796774 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095796782 JF Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(Br)cc4)[C@@H]3C2)cc1 ZINC000095796850 JF Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4C)C[C@H]23)cc1 ZINC000095796904 JF Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)CC(=O)N3[C@H]2CO)cc1 ZINC000095796944 JF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4C)C[C@H]23)cc1 ZINC000095796945 JF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095796946 JF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)CC(=O)N3[C@H]2CO)cc1 ZINC000095796947 JF Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095796948 JF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095796949 JF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095796950 JF Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H](CO)N12 ZINC000095796957 JF Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@H]2[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H](CO)N12 ZINC000095796958 JF Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@H]2[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H](CO)N12 ZINC000095796987 JF Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H](CO)N12 ZINC000095796988 JF Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H](CO)N12 ZINC000095797013 JF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797017 JF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797018 JF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095797019 JF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095797020 JF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095797021 JF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095797022 JF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095797023 JF Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@H]2[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H](CO)N12 ZINC000095797042 JF Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H](CO)N12 ZINC000095797043 JF Annotated Mild O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@H]2[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H](CO)N12 ZINC000095797044 JF Annotated Mild COC(=O)c1ccc(CN2CC(=O)N3[C@@H](CO)[C@H](c4ccc(-c5cccnc5)cc4)[C@@H]3C2)cc1 ZINC000095797045 JF Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(-c5cccnc5)cc4)[C@@H]3C2)cc1 ZINC000095797046 JF Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5cccnc5)cc4)[C@H]3C2)cc1 ZINC000095797047 JF Annotated Anodyne COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5cccnc5)cc4)[C@@H]3C2)cc1 ZINC000095797048 JF Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095797049 JF Annotated Mild COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5cccnc5)cc4)[C@H]3C2)cc1 ZINC000095797089 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095797130 JF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095797131 JF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095797132 JF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095797133 JF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095797134 JF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095797151 JF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095797152 JF Annotated Mild O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095797153 JF Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(Br)cc4)[C@@H]3C2)cc1 ZINC000095797246 JF Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(Br)cc2)[C@@H]3CO)cc1 ZINC000095797247 JF Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(Br)cc2)[C@@H]3CO)cc1 ZINC000095797248 JF Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(Br)cc4)[C@H]3C2)cc1 ZINC000095797279 JF Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(Br)cc4)[C@H]3C2)cc1 ZINC000095797280 JF Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(Br)cc4)[C@@H]3C2)cc1 ZINC000095797281 JF Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(Br)cc4)[C@@H]3C2)cc1 ZINC000095797282 JF Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095797295 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095797323 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095797324 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095797325 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095797326 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095797327 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095797328 JF Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095797329 JF Annotated Mild O=C(O)c1ccccc1CN1C[C@H]2O[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000095797471 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797793 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797794 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797795 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797796 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@H]34)cc2)cc1 ZINC000095797797 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797798 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797799 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095797949 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095797950 JF Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 ZINC000095797958 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095797986 JF Annotated Anodyne CCC(=O)N1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095797988 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095797995 JF Annotated Anodyne CN(C)CC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1 ZINC000095798007 JF Annotated Mild O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095798024 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095798028 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@H]2C1 ZINC000095798045 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC(C)C)cc1)[C@@H]2CO ZINC000095798054 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095798055 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC(C)C)cc1)[C@@H]2CO ZINC000095798056 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@H]2C1 ZINC000095798057 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095798058 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095798059 JF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095798121 JF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@H]23)cc1 ZINC000095798124 JF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095798125 JF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095798126 JF Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095798133 JF Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@H]34)cc2)c1 ZINC000095798134 JF Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@H]34)cc2)c1 ZINC000095798135 JF Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095798136 JF Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095798137 JF Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095798138 JF Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095798139 JF Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095798140 JF Annotated Mild COCC(=O)N1CCC2(CC1)CN(Cc1ccccn1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095798476 JF Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1ccccn1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095798477 JF Annotated Anodyne O=C(NC1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095798478 JF Annotated Anodyne O=C(NO)c1ccc(C(=O)N/N=C/c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 ZINC000095808169 JF Annotated Reactive O=C(NO)c1cccc(C(=O)N/N=C/c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1 ZINC000095809701 JF Annotated Reactive C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2C(F)(F)F)OCc2cnnn2CCCC1=O ZINC000095810222 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2C(F)(F)F)OCc2cn(nn2)CCCC1=O ZINC000095810224 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095810225 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2C(F)(F)F)OCc2cn(nn2)CCCC1=O ZINC000095810226 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095810351 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095810353 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095810354 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095810355 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095810356 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095810359 JF Annotated Anodyne CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]32C)C1 ZINC000095810547 JF Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095818505 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095818506 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccccc1C(F)(F)F ZINC000095818509 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095838285 JF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095838286 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095846067 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCc2cnnn2CCCC1=O ZINC000095846068 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCc2cn(nn2)CCCC1=O ZINC000095846069 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095846070 JF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCc2cn(nn2)CCCC1=O ZINC000095846531 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095847336 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095847806 JF Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095849014 JF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095849015 JF Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095849786 JF Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095849866 JF Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095850508 JF Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095852454 JF Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095853568 JF Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095854028 JF Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095855342 JF Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095862215 JF Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F ZINC000095864434 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095864563 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095864586 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095864591 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2OC[C@H](C)NC[C@@H]1C ZINC000095864593 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)c1ccccc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095864602 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095864658 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095864665 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095864669 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095864710 JF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095864712 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095864716 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095864727 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095864735 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095864778 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CCN(S(C)(=O)=O)CC1 ZINC000095864781 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095864802 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095864831 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)Cc2ccccn2)C[C@@H]1C ZINC000095864857 JF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCCc1ccncc1)[C@@H]2CO ZINC000095864878 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095864901 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095864970 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095865011 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095865016 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO ZINC000095865026 JF Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)Cc1ccccc1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865035 JF Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)Cc1ccccc1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865037 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095865038 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095865039 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095865107 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095865109 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCOCC1)CC31CN(CC2CCOCC2)C1 ZINC000095865147 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CN(CC2CCOCC2)C1 ZINC000095865149 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095865165 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095865186 JF Annotated Anodyne CCCNC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@@H]1C ZINC000095865193 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)Cc2ccncc2)C1 ZINC000095865200 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)Cc2ccncc2)C1 ZINC000095865201 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095865218 JF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095865235 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(S(=O)(=O)c2cccs2)CC1 ZINC000095865243 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(C)=O)CC1 ZINC000095865254 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095865259 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095865264 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095865277 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095865288 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CCN(C(C)=O)CC1 ZINC000095865300 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095865334 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccnc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095865335 JF Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)NC(C)C)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865370 JF Annotated Anodyne CCC(=O)N1CC2(CCN(C(=O)NC(C)C)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865371 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CCOCC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865372 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CCOCC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865373 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865385 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095865386 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3ccncc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865404 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3ccncc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865405 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C(C)=O)C1 ZINC000095865411 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C(C)=O)C1 ZINC000095865412 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CN(Cc2cccnc2)C1 ZINC000095865421 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(=O)(=O)c1ccccc1)CC31CCN(C)CC1 ZINC000095865428 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)CC2CC2)C1 ZINC000095865429 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)CC2CC2)C1 ZINC000095865430 JF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)CC1CC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865440 JF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)CC1CC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865441 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CN(Cc2cccnc2)C1 ZINC000095865445 JF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)c3cnccn3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865475 JF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)c3cnccn3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865476 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)C2CCOCC2)CC1 ZINC000095865522 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C(=O)C2CCOCC2)CC1 ZINC000095865523 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095865529 JF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1ccccn1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865558 JF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1ccccn1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865560 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095865568 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095865569 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCOCC1)CC31CCN(C(C)=O)CC1 ZINC000095865577 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CCN(C(C)=O)CC1 ZINC000095865579 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)c2ccccn2)C1 ZINC000095865580 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)c2ccccn2)C1 ZINC000095865581 JF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)CC)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865593 JF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)CC)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865594 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(=O)(=O)c1ccccc1)CC31CCN(C)CC1 ZINC000095865716 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(=O)(=O)c1ccccc1)CC31CCN(C)CC1 ZINC000095865750 JF Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)Cc3ccccc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865794 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000095865813 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000095865814 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccc(OC)cc3)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095865874 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccc(OC)cc3)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095865876 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CCC3(CC2)CN[C@H](CO)c2c3c3ccc(OC)cc3n2C)c1 ZINC000095865936 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CCC3(CC2)CN[C@@H](CO)c2c3c3ccc(OC)cc3n2C)c1 ZINC000095865938 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(=O)(=O)c1ccccc1)CC31CCN(C)CC1 ZINC000095865985 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]2[C@H](c3ccc(-c4ccccc4)cc3)[C@H](CO)N12 ZINC000095866056 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]2[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H](CO)N12 ZINC000095866057 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]2[C@@H](c3ccc(-c4ccccc4)cc3)[C@H](CO)N12 ZINC000095866058 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]2[C@H](c3ccc(-c4ccccc4)cc3)[C@@H](CO)N12 ZINC000095866059 JF Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095866338 JF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095866339 JF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095866372 JF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095866374 JF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095866375 JF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095866376 JF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095866377 JF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095866378 JF Annotated Mild COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(Br)cc4)[C@H]3C2)c1 ZINC000095866700 JF Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(Br)cc2)[C@@H]3CO)c1 ZINC000095866701 JF Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(Br)cc2)[C@@H]3CO)c1 ZINC000095866702 JF Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(Br)cc4)[C@@H]3C2)c1 ZINC000095866740 JF Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(Br)cc4)[C@@H]3C2)c1 ZINC000095866741 JF Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(Br)cc4)[C@H]3C2)c1 ZINC000095866742 JF Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(Br)cc4)[C@@H]3C2)c1 ZINC000095866743 JF Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(Br)cc4)[C@@H]3C2)c1 ZINC000095866744 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095867030 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095867061 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095867096 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095867110 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095867159 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867402 JF Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867407 JF Annotated Anodyne CCCNC(=O)N1CCC2(CC1)CN(C(=O)CC)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867409 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095867456 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095867458 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CC3(CCN(C)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095867471 JF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CCOCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095867510 JF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C(=O)C3CCOCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095867511 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3cccnc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095867670 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3cccnc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095867671 JF Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095867708 JF Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095867709 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(C(=O)c2ccccn2)C1 ZINC000095867727 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(C(=O)c2ccccn2)C1 ZINC000095867728 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)c2cnccn2)CC1 ZINC000095867780 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)c2cnccn2)CC1 ZINC000095867803 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000095867823 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000095867824 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095867837 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)C2CCCC2)CC1 ZINC000095867838 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867862 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095867900 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccnc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095867901 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CC3(CCN(C)CC3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095867905 JF Annotated Anodyne CS(=O)(=O)N1Cc2cc(C(=O)NCC3CC3)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO ZINC000095868025 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095868028 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095868033 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095868039 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO ZINC000095868078 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H]1C ZINC000095868115 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095868121 JF Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H]1C ZINC000095868193 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CC(F)(F)F)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095868196 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cccnc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095868226 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CC(F)(F)F)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095868235 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095868247 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)NC(C)C)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868254 JF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)NC1CCCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868263 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095868269 JF Annotated Anodyne CS(=O)(=O)N1Cc2cc(C(=O)NCC3CC3)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000095868291 JF Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)NC1CCCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868330 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccncc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868341 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cncnc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868343 JF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(C(=O)C2CCCC2)C[C@@H]1C ZINC000095868362 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(C(=O)C2CCC2)C1 ZINC000095868394 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(C(=O)C2CCC2)C1 ZINC000095868395 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CCN(C(C)=O)CC1 ZINC000095868398 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CCN(C(C)=O)CC1 ZINC000095868399 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CCN(Cc2cccnc2)CC1 ZINC000095868404 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(Cc2cccnc2)CC1 ZINC000095868405 JF Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3nccs3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095868419 JF Annotated Anodyne COCC(=O)N1CC2(CCN(Cc3nccs3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095868420 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2ccccc2)C[C@@H]2[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H](CO)N12 ZINC000095868445 JF Annotated Mild O=C1CN(S(=O)(=O)c2ccccc2)C[C@H]2[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H](CO)N12 ZINC000095868446 JF Annotated Mild O=C1CN(S(=O)(=O)c2ccccc2)C[C@@H]2[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H](CO)N12 ZINC000095868447 JF Annotated Mild O=C1CN(S(=O)(=O)c2ccccc2)C[C@@H]2[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H](CO)N12 ZINC000095868448 JF Annotated Mild O=C1CN(S(=O)(=O)c2ccccc2)C[C@H]2[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H](CO)N12 ZINC000095868449 JF Annotated Mild O=C1CN(S(=O)(=O)c2ccccc2)C[C@H]2[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H](CO)N12 ZINC000095868450 JF Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)Cc2ccncc2)C1 ZINC000095868480 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)Cc2ccncc2)C1 ZINC000095868481 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095868482 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095868483 JF Annotated Anodyne O=C1CN(S(=O)(=O)c2ccccc2)C[C@H]2[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H](CO)N12 ZINC000095868485 JF Annotated Mild O=C1CN(S(=O)(=O)c2ccccc2)C[C@@H]2[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H](CO)N12 ZINC000095868486 JF Annotated Mild CCS(=O)(=O)N1CCC2(CC1)CN(Cc1cccnc1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868507 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CCN(Cc2ccncc2)CC1 ZINC000095868515 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(Cc2ccncc2)CC1 ZINC000095868516 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CN(C(=O)c2ccccn2)C1 ZINC000095868576 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CN(C(=O)c2ccccn2)C1 ZINC000095868577 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(Cc2nccs2)CC1 ZINC000095868605 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CCN(Cc2nccs2)CC1 ZINC000095868606 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccccc3F)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095868620 JF Annotated Anodyne CCS(=O)(=O)N1CC2(CN(Cc3ccccc3F)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095868621 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CN(C(=O)c2cccnc2)C1 ZINC000095868636 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3nccs3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868641 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(Cc3nccs3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868642 JF Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1nccs1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868645 JF Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1nccs1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868646 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868654 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1F)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868655 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1F)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868689 JF Annotated Anodyne COCC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868690 JF Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)Cc1ccccn1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868695 JF Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)Cc1ccccn1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868696 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)CN(C)C)C1 ZINC000095868697 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)CN(C)C)C1 ZINC000095868731 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CN(Cc2nccs2)C1 ZINC000095868741 JF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CN(Cc2nccs2)C1 ZINC000095868845 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CCOCC3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868846 JF Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CCOCC3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868847 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(CC2CCOCC2)C1 ZINC000095868850 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(CC2CCOCC2)C1 ZINC000095868851 JF Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(C(=O)NC1CCCC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868865 JF Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)Nc3c(C)noc3C)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868885 JF Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)Nc3c(C)noc3C)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868886 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(Cc2nccs2)C1 ZINC000095868887 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(Cc2nccs2)C1 ZINC000095868888 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(S(=O)(=O)c2cccs2)C1 ZINC000095868904 JF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(S(=O)(=O)c2cccs2)C1 ZINC000095868905 JF Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)NC1CCCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868906 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095868913 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095868930 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095868933 JF Annotated Anodyne COc1cccc(-c2ccc(CC[C@H]3O[C@H]4CC[C@H](CO)O[C@H]4C[C@@H]3NS(C)(=O)=O)cc2)c1 ZINC000095868951 JF Annotated Anodyne COc1cccc(-c2ccc(CC[C@H]3O[C@H]4CC[C@@H](CO)O[C@H]4C[C@@H]3NS(C)(=O)=O)cc2)c1 ZINC000095868970 JF Annotated Anodyne CN(C)CC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#Cc2ccccc2)cc1 ZINC000095869006 JF Annotated Mild O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095869013 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095869014 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095869042 JF Annotated Anodyne COc1cccc(-c2ccc(CC[C@H]3O[C@H]4CC[C@@H](CO)O[C@H]4C[C@H]3NS(C)(=O)=O)cc2)c1 ZINC000095869138 JF Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CCC(F)(F)F ZINC000095869423 JF Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095869540 JF Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095869541 JF Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095871430 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@H]34)cc2)c1 ZINC000095871431 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095871432 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095871433 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1 ZINC000095871434 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095871435 JF Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@H]34)cc2)cc1 ZINC000095871564 JF Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccccc5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095871602 JF Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccc5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095871603 JF Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095871604 JF Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095871605 JF Annotated Mild CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2 ZINC000095872036 JF Annotated Mild [N-]=[N+]=NCCOCCNC(=O)CCCn1cc(CSc2nnc(-c3ccc(F)cc3)o2)nn1 ZINC000095872108 JF Annotated Clean C[C@@H](CO)N1CC[C@H](CNC(=O)OC(C)(C)C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872388 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)c1 ZINC000095873121 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)c1 ZINC000095873122 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)c1 ZINC000095873123 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)c1 ZINC000095873124 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccc(F)cc5)cc4)[C@@H]3C2)c1 ZINC000095873653 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccc(F)cc5)cc4)[C@@H]3C2)c1 ZINC000095873654 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(-c5ccc(F)cc5)cc4)[C@@H]3C2)c1 ZINC000095873655 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4ccc(F)cc4)cc2)[C@@H]3CO)c1 ZINC000095873656 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(-c4ccc(F)cc4)cc2)[C@@H]3CO)c1 ZINC000095873657 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccc(F)cc5)cc4)[C@H]3C2)c1 ZINC000095873658 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccc(F)cc5)cc4)[C@H]3C2)c1 ZINC000095873659 JF Annotated Anodyne O=C(Cc1ccncc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873789 JF Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873790 JF Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873791 JF Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095873792 JF Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873793 JF Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095873794 JF Annotated Mild O=C(Cc1ccncc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095873795 JF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4OC)cc3)[C@H]2C1 ZINC000095873898 JF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4OC)cc3)[C@@H]2C1 ZINC000095873899 JF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4OC)cc3)[C@@H]2C1 ZINC000095873900 JF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4OC)cc3)[C@@H]2C1 ZINC000095873901 JF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4OC)cc3)[C@@H]2C1 ZINC000095873902 JF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3OC)cc1)[C@@H]2CO ZINC000095873903 JF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4OC)cc3)[C@H]2C1 ZINC000095873904 JF Annotated Mild O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095874037 JF Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095874038 JF Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095874039 JF Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095874040 JF Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095874041 JF Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095874042 JF Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095874043 JF Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095874044 JF Annotated Anodyne O=C(c1ccncc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccn3)cc1)[C@@H]2CO ZINC000095874062 JF Annotated Mild O=C(c1ccncc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccn3)cc1)[C@@H]2CO ZINC000095874063 JF Annotated Mild O=C(c1ccncc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095874064 JF Annotated Mild O=C(c1ccncc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1 ZINC000095874065 JF Annotated Mild O=C(c1ccncc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095874066 JF Annotated Mild O=C(c1ccncc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095874067 JF Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095874114 JF Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)CCCCN3[C@H]2CO)cc1 ZINC000095874115 JF Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095874116 JF Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@H]23)cc1 ZINC000095874117 JF Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095874118 JF Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1 ZINC000095874119 JF Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@H]23)cc1 ZINC000095874120 JF Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)CCCCN3[C@H]2CO)cc1 ZINC000095874121 JF Annotated Mild Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(-c4ccccc4)cc2)[C@@H]3CO)c1 ZINC000095874130 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)c1 ZINC000095874131 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5)cc4)[C@H]3C2)c1 ZINC000095874132 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)c1 ZINC000095874133 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@H]3C2)c1 ZINC000095874134 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)c1 ZINC000095874135 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4ccccc4)cc2)[C@@H]3CO)c1 ZINC000095874136 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5)cc4)[C@@H]3C2)c1 ZINC000095874137 JF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)CN4CCOCC4)C[C@H]23)cc1 ZINC000095874438 JF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)CN4CCOCC4)C[C@@H]23)cc1 ZINC000095874439 JF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)CN4CCOCC4)C[C@@H]23)cc1 ZINC000095874440 JF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)CN4CCOCC4)C[C@@H]23)cc1 ZINC000095874441 JF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)CN4CCOCC4)C[C@@H]23)cc1 ZINC000095874442 JF Annotated Anodyne O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874521 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095874522 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874523 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874524 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095874525 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874526 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095874527 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095874528 JF Annotated Mild COc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@@H]34)cc2)c1 ZINC000095874743 JF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@@H]34)cc2)c1 ZINC000095874744 JF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@@H]34)cc2)c1 ZINC000095874745 JF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5cn(C)cn5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874746 JF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@@H]34)cc2)c1 ZINC000095874747 JF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@H]34)cc2)c1 ZINC000095874748 JF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5cn(C)cn5)C[C@H]34)cc2)c1 ZINC000095874749 JF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cn(C)cn5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874750 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@H]3C2)c1 ZINC000095874763 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)c1 ZINC000095874764 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)c1 ZINC000095874765 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@H]3C2)c1 ZINC000095874766 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)c1 ZINC000095874767 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)c1 ZINC000095874768 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)c1 ZINC000095874769 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)c1 ZINC000095874770 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095874873 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095874874 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095874875 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095874876 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095874877 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095874878 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095874879 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095874975 JF Annotated Mild Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095874976 JF Annotated Mild Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095874977 JF Annotated Mild Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CC5CCCC5)cc4)[C@@H]3C2)c1 ZINC000095874978 JF Annotated Mild Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#CC5CCCC5)cc4)[C@H]3C2)c1 ZINC000095874979 JF Annotated Mild Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C#CC4CCCC4)cc2)[C@@H]3CO)c1 ZINC000095874980 JF Annotated Mild Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CC4CCCC4)cc2)[C@@H]3CO)c1 ZINC000095874981 JF Annotated Mild Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C#CC5CCCC5)cc4)[C@H]3C2)c1 ZINC000095874982 JF Annotated Mild O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095874983 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095874984 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095874985 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095874986 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095874987 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095874988 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095874989 JF Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095874990 JF Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095875121 JF Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095875122 JF Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095875123 JF Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095875124 JF Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095875125 JF Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095875126 JF Annotated Anodyne O=S(=O)(c1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095875127 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(-c5cccc(F)c5)cc4)[C@@H]3C2)c1 ZINC000095875349 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5cccc(F)c5)cc4)[C@@H]3C2)c1 ZINC000095875350 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5cccc(F)c5)cc4)[C@@H]3C2)c1 ZINC000095875351 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(-c5cccc(F)c5)cc4)[C@H]3C2)c1 ZINC000095875352 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(-c4cccc(F)c4)cc2)[C@@H]3CO)c1 ZINC000095875353 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5cccc(F)c5)cc4)[C@H]3C2)c1 ZINC000095875354 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4cccc(F)c4)cc2)[C@@H]3CO)c1 ZINC000095875355 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5cccc(F)c5)cc4)[C@@H]3C2)c1 ZINC000095875356 JF Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@H]23)cc1 ZINC000095875494 JF Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCCCN3[C@H]2CO)cc1 ZINC000095875495 JF Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]23)cc1 ZINC000095875496 JF Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCCCN3[C@H]2CO)cc1 ZINC000095875497 JF Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]23)cc1 ZINC000095875498 JF Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]23)cc1 ZINC000095875499 JF Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@H]23)cc1 ZINC000095875500 JF Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]23)cc1 ZINC000095875501 JF Annotated Anodyne O=C(Cc1cccnc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095875631 JF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095875632 JF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095875633 JF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875634 JF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095875635 JF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875636 JF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875637 JF Annotated Mild O=C(Cc1cccnc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875638 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@H]2C1 ZINC000095875774 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095875775 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095875776 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccn3)cc1)[C@@H]2CO ZINC000095875777 JF Annotated Mild O=C(c1cccnc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccn3)cc1)[C@@H]2CO ZINC000095875778 JF Annotated Mild CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1 ZINC000095877101 JF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1 ZINC000095877102 JF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@H]2C1 ZINC000095877103 JF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@H]2C1 ZINC000095877104 JF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1 ZINC000095877105 JF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(C(=O)N(C)C)cc3)cc1)[C@@H]2CO ZINC000095877106 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@H]2C1 ZINC000095877115 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CCN(C)C)cc1)[C@@H]2CO ZINC000095877116 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1 ZINC000095877117 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CCN(C)C)cc1)[C@@H]2CO ZINC000095877118 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1 ZINC000095877119 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@H]2C1 ZINC000095877120 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1 ZINC000095877121 JF Annotated Mild Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1 ZINC000095877122 JF Annotated Mild O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095877266 JF Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095877267 JF Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095877268 JF Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095877269 JF Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095877270 JF Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095877271 JF Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095877272 JF Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095877273 JF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(C4=CCCCC4)cc2)[C@@H]3CO)c1 ZINC000095877305 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@H](CO)N3)c1 ZINC000095877632 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@@H](CO)N3)c1 ZINC000095877633 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@@H](CO)N3)c1 ZINC000095877634 JF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@H](CO)N3)c1 ZINC000095877635 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@@H](CO)N3)cc1 ZINC000095878251 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@@H](CO)N3)cc1 ZINC000095878252 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@H](CO)N3)cc1 ZINC000095878253 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@H](CO)N3)cc1 ZINC000095878254 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cn(C)cn1)[C@@H](CO)N2 ZINC000095878270 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cn(C)cn1)[C@H](CO)N2 ZINC000095878271 JF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cn(C)cn1)[C@@H](CO)N2 ZINC000095878272 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(Br)ccc2N[C@H]3CO)c1 ZINC000095878388 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(Br)cc4[C@@H]32)c1 ZINC000095878389 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(Br)cc4[C@@H]32)c1 ZINC000095878390 JF Annotated Anodyne COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(Br)cc4[C@H]32)c1 ZINC000095878391 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878545 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878546 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095878547 JF Annotated Anodyne COc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO ZINC000095878548 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2cn(C)cn2)[C@H](CO)N3)c1 ZINC000095878598 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2cn(C)cn2)[C@@H](CO)N3)c1 ZINC000095878599 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2cn(C)cn2)[C@@H](CO)N3)c1 ZINC000095878600 JF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2cn(C)cn2)[C@H](CO)N3)c1 ZINC000095878601 JF Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1cc(F)cc(F)c1 ZINC000095878896 JF Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1)N1CCCCC1 ZINC000095878923 JF Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)C1CC1)N1CCCCC1 ZINC000095878924 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)C2CCC2)[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]1CO ZINC000095879011 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)N(C(=O)C3CCC3)[C@@H]21 ZINC000095879012 JF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 ZINC000095879076 JF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)c1ccccc1 ZINC000095879077 JF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095879078 JF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095879079 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccc2c(c1)OCO2 ZINC000095879155 JF Annotated Anodyne CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000095879156 JF Annotated Anodyne CCC(=O)N1[C@H](C(=O)NCc2ccc(F)cc2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879163 JF Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000095879164 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)c1ccccc1F ZINC000095879199 JF Annotated Anodyne CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)c1ccccc1F ZINC000095879200 JF Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@H](C)c1ccccc1 ZINC000095879204 JF Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H]2CO ZINC000095879205 JF Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N[C@@H](C)c1ccccc1 ZINC000095879207 JF Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)[C@@H]2CO ZINC000095879208 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2C(=O)C1CCCCC1 ZINC000095879231 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCCC1 ZINC000095879232 JF Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccc1 ZINC000095879295 JF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO ZINC000095879296 JF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)c1ccccc1F ZINC000095879309 JF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1F ZINC000095879310 JF Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCc1ccncc1 ZINC000095879371 JF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCCc1ccncc1)[C@@H]2CO ZINC000095879372 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1nccs1 ZINC000095879401 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2Cc1nccs1 ZINC000095879402 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095879441 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095879442 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2Cc1ccncc1 ZINC000095879461 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 ZINC000095879462 JF Annotated Anodyne CCN1[C@H](C(=O)NCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]21 ZINC000095879473 JF Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1 ZINC000095879474 JF Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccncc1)N1CCCCC1 ZINC000095879567 JF Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)c1ccncc1)N1CCCCC1 ZINC000095879568 JF Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCCCC3)[C@H]2N1CC1CC1 ZINC000095879600 JF Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)[C@@H]2N1CC1CC1 ZINC000095879601 JF Annotated Anodyne CCC(=O)N1[C@H](C(=O)Nc2nccs2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095879622 JF Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1nccs1 ZINC000095879623 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2C(=O)Nc1ccccc1 ZINC000095879692 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)Nc1ccccc1 ZINC000095879693 JF Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1cccc(F)c1 ZINC000095879706 JF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1cccc(F)c1)[C@@H]2CO ZINC000095879707 JF Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000095879729 JF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccc(F)cc1)[C@@H]2CO ZINC000095879730 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCC1 ZINC000095879739 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 ZINC000095879740 JF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]1N2C(=O)c1ccccc1F ZINC000095879780 JF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1F ZINC000095879781 JF Annotated Anodyne O=C(NCc1cccc(F)c1)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879842 JF Annotated Anodyne O=C(NCc1cccc(F)c1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879843 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)c1cccnc1 ZINC000095879867 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1cccnc1 ZINC000095879868 JF Annotated Anodyne CN1[C@H](C(=O)NCc2ccc(F)cc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]21 ZINC000095879877 JF Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000095879878 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095879897 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095879898 JF Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1CCC(F)(F)F ZINC000095879903 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1CCC(F)(F)F ZINC000095879904 JF Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F ZINC000095879937 JF Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2CCC(F)(F)F ZINC000095879938 JF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@@H]2CO ZINC000095879947 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C(=O)c1ccccc1F ZINC000095879952 JF Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)c1ccccc1F ZINC000095879953 JF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1[C@@H](C(=O)N1CCC(Cc3ccccc3)CC1)[C@@H]2CO ZINC000095879984 JF Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000095879985 JF Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1Cc2ccccc2C1 ZINC000095879994 JF Annotated Anodyne CCN1[C@H](C(=O)NC2Cc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879995 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F ZINC000095880038 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CCC(F)(F)F ZINC000095880039 JF Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCC1 ZINC000095880090 JF Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO ZINC000095880091 JF Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)C1CCCC1 ZINC000095880106 JF Annotated Anodyne O=C(NC1CCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)C1CCCC1 ZINC000095880107 JF Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1Cl ZINC000095880120 JF Annotated Anodyne CC(=O)N1[C@H](C(=O)NCc2ccccc2Cl)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095880121 JF Annotated Anodyne O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000095880190 JF Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccc2c(c1)OCO2 ZINC000095880191 JF Annotated Anodyne CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095880213 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095880214 JF Annotated Anodyne CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccn1 ZINC000095880249 JF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO ZINC000095880250 JF Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1cc(F)cc(F)c1 ZINC000095880314 JF Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1cc(F)cc(F)c1)[C@@H]2CO ZINC000095880315 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1C(=O)Nc1cc(F)ccc1F ZINC000095880338 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)N(C(=O)c3ccccn3)[C@@H]21 ZINC000095880339 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)N(C(=O)c3ccccn3)[C@@H]21 ZINC000095880340 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)c2ccccn2)[C@@H](C(=O)N[C@H](C)c2ccccc2)[C@@H]1CO ZINC000095880341 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)c2ccccn2)[C@@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H]1CO ZINC000095880342 JF Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F)N1CCCCC1 ZINC000095880343 JF Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CCC(F)(F)F)N1CCCCC1 ZINC000095880344 JF Annotated Anodyne O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)c1ccccc1F ZINC000095880349 JF Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)c1ccccc1F ZINC000095880350 JF Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cocn1 ZINC000095880376 JF Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2Cc1cocn1 ZINC000095880377 JF Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)[C@@H]2N1C ZINC000095880409 JF Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)[C@H]2N1C ZINC000095880410 JF Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)[C@@H]2N1C ZINC000095880411 JF Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@@H](C)c3ccccc3)[C@H]2N1C ZINC000095880412 JF Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1 ZINC000095880467 JF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1F ZINC000095880521 JF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2C(=O)c1ccccc1F ZINC000095880522 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccncc3)N(CCC(F)(F)F)[C@@H]21 ZINC000095880535 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC(F)(F)F)[C@@H](C(=O)NCCc2ccncc2)[C@@H]1CO ZINC000095880536 JF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)c1ccccc1F ZINC000095880575 JF Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)c1ccccc1F ZINC000095880576 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@@H](C)c3ccccc3)[C@H]2N1Cc1cncnc1 ZINC000095880605 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)[C@@H]2N1Cc1cncnc1 ZINC000095880606 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)[C@H]2N1Cc1cncnc1 ZINC000095880607 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)[C@@H]2N1Cc1cncnc1 ZINC000095880608 JF Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2N[C@@H]3c4ccc(/C=C/c5ccccc5)c(=O)n4C[C@@H]3[C@H]2CO)c1 ZINC000095880647 JF Annotated Anodyne COc1cccc(CNC(=O)[C@H]2N[C@H]3c4ccc(/C=C/c5ccccc5)c(=O)n4C[C@H]3[C@@H]2CO)c1 ZINC000095880648 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCc2ccccc2)[C@@H](C(=O)NCC(F)(F)F)[C@@H]1CO ZINC000095880660 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC(F)(F)F)N(CCc3ccccc3)[C@@H]21 ZINC000095880661 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1Cc1ccccc1F ZINC000095880696 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1Cc1ccccc1F ZINC000095880697 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC(F)(F)F)[C@H]2N1C(=O)C1CCCCC1 ZINC000095880785 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC(F)(F)F)[C@@H]2N1C(=O)C1CCCCC1 ZINC000095880786 JF Annotated Anodyne O=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1CCC(F)(F)F)N1CCCCC1 ZINC000095880809 JF Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1CCC(F)(F)F)N1CCCCC1 ZINC000095880810 JF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]1N2C(=O)c1ccccc1F ZINC000095880920 JF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1F ZINC000095880921 JF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCC(F)(F)F)[C@@H]2CO ZINC000095880933 JF Annotated Anodyne COc1ccccc1CN1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@@H]2CO ZINC000095880978 JF Annotated Anodyne COc1ccccc1CN1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCc2ccccc2C1 ZINC000095880979 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)[C@@H]2N1Cc1cocn1 ZINC000095881015 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCc4ccccc4C3)[C@H]2N1Cc1cocn1 ZINC000095881016 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095881100 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095881101 JF Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)Nc1nccs1)[C@@H]2CO ZINC000095881195 JF Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1nccs1 ZINC000095881196 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 ZINC000095881205 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)c1ccccc1 ZINC000095881206 JF Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)Nc1ccccc1 ZINC000095881335 JF Annotated Anodyne O=C(NCC(F)(F)F)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095881358 JF Annotated Anodyne O=C(NCC(F)(F)F)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095881359 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)Nc1ccccc1 ZINC000095881466 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)Nc1ccccc1 ZINC000095881467 JF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO ZINC000095881542 JF Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccn1 ZINC000095881543 JF Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)O)[C@H]3N2C(=O)c2ccccc2F)cc1 ZINC000095881580 JF Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)O)[C@@H]3N2C(=O)c2ccccc2F)cc1 ZINC000095881581 JF Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095881596 JF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095881597 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095881600 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095881601 JF Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095881616 JF Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095881617 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 ZINC000095881620 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCC1 ZINC000095881621 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2Cc1ccccc1F ZINC000095881639 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1F ZINC000095881640 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095881695 JF Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095881696 JF Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CCCC1 ZINC000095881717 JF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1C(=O)C1CCCC1 ZINC000095881718 JF Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000095881752 JF Annotated Anodyne CN1[C@H](C(=O)N2CCc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095881753 JF Annotated Anodyne O=C(Nc1nccs1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@H]2N1CC1CCCC1 ZINC000095881756 JF Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1)N1CCCCC1 ZINC000095881768 JF Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)C1CCC1)N1CCCCC1 ZINC000095881769 JF Annotated Anodyne O=C(NCc1ccccn1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095881772 JF Annotated Anodyne O=C(NCc1ccccn1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095881773 JF Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CCC(F)(F)F)N1CCCCC1 ZINC000095881774 JF Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F)N1CCCCC1 ZINC000095881775 JF Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1nccs1 ZINC000095881785 JF Annotated Anodyne CC(=O)N1[C@H](C(=O)Nc2nccs2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095881786 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccncc1 ZINC000095881793 JF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)c1ccncc1 ZINC000095881794 JF Annotated Anodyne CCN1[C@H](C(=O)NCc2cccc(OC)c2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095881799 JF Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1cccc(OC)c1 ZINC000095881800 JF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccc2c(c1)OCO2 ZINC000095881823 JF Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccc2c(c1)OCO2 ZINC000095881824 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CCC(F)(F)F ZINC000095881825 JF Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F ZINC000095881826 JF Annotated Anodyne O=C(NCc1cccc(F)c1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095881829 JF Annotated Anodyne O=C(NCc1cccc(F)c1)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095881830 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCc3ccncc3)[C@H]2N1CCC(F)(F)F ZINC000095881833 JF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccncc3)[C@@H]2N1CCC(F)(F)F ZINC000095881834 JF Annotated Anodyne CCCN1[C@H](C(=O)Nc2nccs2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]21 ZINC000095881849 JF Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1nccs1 ZINC000095881850 JF Annotated Anodyne CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1Cc2ccccc2C1 ZINC000095881862 JF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1Cc3ccccc3C1)[C@@H]2CO ZINC000095881863 JF Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)O)[C@H]3N2Cc2ccccc2F)c1 ZINC000095884522 JF Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)O)[C@@H]3N2Cc2ccccc2F)c1 ZINC000095884523 JF Annotated Anodyne CCCNC(=O)N1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095884565 JF Annotated Anodyne CCCNC(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 ZINC000095884566 JF Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@@H]2N[C@@H](C(=O)NCc2ccccc2Cl)[C@@H]1CO ZINC000095884575 JF Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3Cl)N[C@@H]21 ZINC000095884576 JF Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1cc(F)cc(F)c1 ZINC000095884591 JF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1cc(F)cc(F)c1)[C@@H]2CO ZINC000095884592 JF Annotated Anodyne COc1ccccc1CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095884650 JF Annotated Anodyne COc1ccccc1CN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095884651 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1cccc(F)c1 ZINC000095884758 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCc1cccc(F)c1 ZINC000095884759 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1cccc(F)c1 ZINC000095884760 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1cccc(F)c1 ZINC000095884761 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCc1cccc(F)c1 ZINC000095884762 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCc1cccc(F)c1 ZINC000095884763 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCc1cccc(F)c1 ZINC000095884764 JF Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095884783 JF Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095884784 JF Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095884785 JF Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095884786 JF Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095884787 JF Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095884788 JF Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095884789 JF Annotated Anodyne Cc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095884790 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NCC1CC1 ZINC000095884791 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NCC1CC1 ZINC000095884792 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NCC1CC1 ZINC000095884793 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NCC1CC1 ZINC000095884794 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NCC1CC1 ZINC000095884795 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccccc1 ZINC000095884863 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccccc1 ZINC000095884864 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccccc1 ZINC000095884865 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccccc1 ZINC000095884866 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccccc1 ZINC000095884867 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccccc1 ZINC000095884868 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccccc1 ZINC000095884869 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccccc1 ZINC000095884870 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(F)cc1 ZINC000095884881 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(F)cc1 ZINC000095884882 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(F)cc1 ZINC000095884883 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(F)cc1 ZINC000095884884 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(F)cc1 ZINC000095884885 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(F)cc1 ZINC000095884886 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(F)cc1 ZINC000095884887 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCc2ccccc2)O1)NCc1ccc(F)cc1 ZINC000095884936 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCc2ccccc2)O1)NCc1ccc(F)cc1 ZINC000095884937 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCc2ccccc2)O1)NCc1ccc(F)cc1 ZINC000095884938 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCc2ccccc2)O1)NCc1ccc(F)cc1 ZINC000095884939 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCc2ccccc2)O1)NCc1ccc(F)cc1 ZINC000095884941 JF Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1 ZINC000095884957 JF Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1 ZINC000095884958 JF Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1 ZINC000095884959 JF Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1 ZINC000095884960 JF Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1 ZINC000095884961 JF Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1 ZINC000095884962 JF Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1 ZINC000095884963 JF Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1 ZINC000095884964 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095885047 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095885048 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095885049 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095885050 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095885051 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095885052 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095885053 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NC1Cc2ccccc2C1 ZINC000095885077 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)NC1Cc2ccccc2C1 ZINC000095885078 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)NC1Cc2ccccc2C1 ZINC000095885079 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)NC1Cc2ccccc2C1 ZINC000095885080 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)NC1Cc2ccccc2C1 ZINC000095885081 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NC1Cc2ccccc2C1 ZINC000095885082 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NC1Cc2ccccc2C1 ZINC000095885083 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1 ZINC000095885092 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1 ZINC000095885093 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1 ZINC000095885094 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1 ZINC000095885095 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1 ZINC000095885096 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1 ZINC000095885097 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1 ZINC000095885098 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1 ZINC000095885099 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCCc3ccccc3)CC[C@H]21 ZINC000095885108 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCCc3ccccc3)CC[C@@H]21 ZINC000095885109 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCCc3ccccc3)CC[C@H]21 ZINC000095885110 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCCc3ccccc3)CC[C@@H]21 ZINC000095885111 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCCc3ccccc3)CC[C@H]21 ZINC000095885112 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCCc3ccccc3)CC[C@H]21 ZINC000095885113 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCCc3ccccc3)CC[C@@H]21 ZINC000095885114 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCCc3ccccc3)CC[C@@H]21 ZINC000095885115 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccccc1 ZINC000095885183 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccccc1 ZINC000095885184 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccccc1 ZINC000095885185 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccccc1 ZINC000095885186 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccccc1 ZINC000095885187 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccccc1 ZINC000095885188 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccccc1 ZINC000095885189 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccccc1 ZINC000095885190 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)NCc1ccccc1F ZINC000095885306 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1)NCc1ccccc1F ZINC000095885307 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1)NCc1ccccc1F ZINC000095885308 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095885322 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095885323 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095885324 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095885325 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095885326 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095885327 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095885328 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1 ZINC000095885419 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1 ZINC000095885420 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1 ZINC000095885421 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1 ZINC000095885422 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1 ZINC000095885423 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1 ZINC000095885424 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1 ZINC000095885425 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1 ZINC000095885426 JF Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@H]3O[C@H](CC(=O)N4CCc5ccccc5C4)CC[C@@H]32)cc1 ZINC000095885522 JF Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@@H]3O[C@H](CC(=O)N4CCc5ccccc5C4)CC[C@H]32)cc1 ZINC000095885523 JF Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)N4CCc5ccccc5C4)CC[C@@H]32)cc1 ZINC000095885524 JF Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@@H](CC(=O)N4CCc5ccccc5C4)CC[C@@H]32)cc1 ZINC000095885525 JF Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)N4CCc5ccccc5C4)CC[C@@H]32)cc1 ZINC000095885526 JF Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)N4CCc5ccccc5C4)CC[C@H]32)cc1 ZINC000095885527 JF Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@@H]3O[C@@H](CC(=O)N4CCc5ccccc5C4)CC[C@H]32)cc1 ZINC000095885528 JF Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@@H]3O[C@@H](CC(=O)N4CCc5ccccc5C4)CC[C@H]32)cc1 ZINC000095885529 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095885572 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095885573 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095885574 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095885575 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095885576 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095885577 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095885578 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)cc1 ZINC000095885579 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1 ZINC000095885580 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1 ZINC000095885581 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1 ZINC000095885582 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1 ZINC000095885583 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1 ZINC000095885584 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1 ZINC000095885585 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1 ZINC000095885586 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(Cl)cc1 ZINC000095885587 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(Cl)cc1 ZINC000095885588 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(Cl)cc1 ZINC000095885589 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(Cl)cc1 ZINC000095885590 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(Cl)cc1 ZINC000095885591 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(Cl)cc1 ZINC000095885592 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(Cl)cc1 ZINC000095885593 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(Cl)cc1 ZINC000095885594 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1Cc2ccccc2C1 ZINC000095885664 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1Cc2ccccc2C1 ZINC000095885665 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1Cc2ccccc2C1 ZINC000095885666 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1Cc2ccccc2C1 ZINC000095885667 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1Cc2ccccc2C1 ZINC000095885668 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1Cc2ccccc2C1 ZINC000095885669 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1Cc2ccccc2C1 ZINC000095885670 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1Cc2ccccc2C1 ZINC000095885671 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NCc1cccc(F)c1 ZINC000095885677 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NCc1cccc(F)c1 ZINC000095885678 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NCc1cccc(F)c1 ZINC000095885679 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NCc1cccc(F)c1 ZINC000095885680 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NCc1cccc(F)c1 ZINC000095885681 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NCc1cccc(F)c1 ZINC000095885682 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NCc1cccc(F)c1 ZINC000095885683 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NCc1cccc(F)c1 ZINC000095885684 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095885749 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095885750 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095885751 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095885752 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095885753 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095885754 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095885755 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095885756 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccccc1F ZINC000095885838 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccccc1F ZINC000095885839 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccccc1F ZINC000095885840 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccccc1F ZINC000095885841 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccccc1F ZINC000095885842 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccccc1F ZINC000095885843 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccccc1F ZINC000095885844 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2)O1)NCc1ccccc1F ZINC000095885845 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1 ZINC000095885937 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1 ZINC000095885938 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1 ZINC000095885939 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1 ZINC000095885940 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1 ZINC000095885941 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1 ZINC000095885942 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1 ZINC000095885943 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1 ZINC000095885944 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)Nc1nccs1 ZINC000095886074 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)Nc1nccs1 ZINC000095886075 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)Nc1nccs1 ZINC000095886076 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)Nc1nccs1 ZINC000095886077 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)Nc1nccs1 ZINC000095886078 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)Nc1nccs1 ZINC000095886079 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1)NCc1ccccc1F ZINC000095886110 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NCc1ccccc1F ZINC000095886111 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NCc1ccccc1F ZINC000095886112 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NCc1ccccc1F ZINC000095886113 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1)NCc1ccccc1F ZINC000095886114 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NCc1ccccc1F ZINC000095886115 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1)NCc1ccccc1F ZINC000095886116 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1)NCc1ccccc1F ZINC000095886117 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)N1CCCCC1 ZINC000095886185 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)N1CCCCC1 ZINC000095886186 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)N1CCCCC1 ZINC000095886187 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)N1CCCCC1 ZINC000095886188 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)N1CCCCC1 ZINC000095886189 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)N1CCCCC1 ZINC000095886190 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)N1CCCCC1 ZINC000095886191 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)N1CCCCC1 ZINC000095886192 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccccc1 ZINC000095886217 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccccc1 ZINC000095886218 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccccc1 ZINC000095886219 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccccc1 ZINC000095886220 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccccc1 ZINC000095886221 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccccc1 ZINC000095886222 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccccc1 ZINC000095886223 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCc1ccccc1Cl ZINC000095886436 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCc1ccccc1Cl ZINC000095886437 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCc1ccccc1Cl ZINC000095886438 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCc1ccccc1Cl ZINC000095886439 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCc1ccccc1Cl ZINC000095886440 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCc1ccccc1Cl ZINC000095886441 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCc1ccccc1Cl ZINC000095886442 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCc1ccccc1Cl ZINC000095886443 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3)CC[C@H]21 ZINC000095886540 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000095886541 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccccc3)CC[C@H]21 ZINC000095886542 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000095886543 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000095886544 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccccc3)CC[C@H]21 ZINC000095886545 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000095886546 JF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3)CC[C@H]21 ZINC000095886547 JF Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095886555 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)Nc1nccs1 ZINC000095886632 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)Nc1nccs1 ZINC000095886633 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(Cl)c2)O1)Nc1nccs1 ZINC000095886634 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(Cl)c2)O1)Nc1nccs1 ZINC000095886635 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886696 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886697 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886698 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886699 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886700 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886701 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)N1CCCCC1 ZINC000095886702 JF Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCC(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000095886771 JF Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000095886772 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCC(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000095886773 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)CC[C@H]21 ZINC000095886774 JF Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCC(Cc4ccccc4)CC3)CC[C@H]21 ZINC000095886775 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000095886776 JF Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)CC[C@H]21 ZINC000095886777 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095886915 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095886916 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095886917 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095886918 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095886919 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095886920 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095886921 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NCCc1ccccc1 ZINC000095886922 JF Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000095886946 JF Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000095886947 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000095886948 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000095886949 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000095886950 JF Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000095886951 JF Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000095886952 JF Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000095886953 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl ZINC000095887728 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl ZINC000095887729 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl ZINC000095887730 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl ZINC000095887731 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl ZINC000095887732 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl ZINC000095887733 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl ZINC000095887734 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1 ZINC000095887911 JF Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1 ZINC000095887912 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1 ZINC000095887913 JF Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1 ZINC000095887914 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1 ZINC000095887915 JF Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1 ZINC000095887916 JF Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1 ZINC000095887917 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCCc3ccncc3)CC[C@@H]21 ZINC000095887941 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@@H]21 ZINC000095887942 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095887943 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095887944 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095887945 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NCCc3ccncc3)CC[C@@H]21 ZINC000095887946 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@@H]21 ZINC000095887947 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095887948 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095888104 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095888105 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095888106 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095888107 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095888108 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095888109 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095888110 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095888132 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095888133 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095888134 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095888135 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095888136 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095888137 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095888138 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095888139 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccncc3)O[C@@H]1CO2 ZINC000095888164 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccncc3)O[C@@H]1CO2 ZINC000095888165 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccncc3)O[C@@H]1CO2 ZINC000095888166 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccncc3)O[C@H]1CO2 ZINC000095888167 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccncc3)O[C@H]1CO2 ZINC000095888168 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccncc3)O[C@@H]1CO2 ZINC000095888169 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccncc3)O[C@H]1CO2 ZINC000095888170 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095888219 JF Annotated Mild CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095888260 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095888261 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095888262 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095888263 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095888264 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095888265 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095888266 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095888267 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000095888292 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000095888293 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000095888294 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000095888295 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000095888296 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000095888297 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000095888298 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1 ZINC000095888299 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095888300 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095888301 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095888302 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095888303 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095888304 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095888305 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095888306 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095888378 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095888379 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095888380 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095888381 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095888382 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095888383 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@H]21 ZINC000095888384 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000095888385 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888418 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888419 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888420 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888421 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888422 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888423 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888424 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888425 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888520 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888521 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888522 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888523 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888524 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888525 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]1CO2 ZINC000095888526 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3)O[C@H]1CO2 ZINC000095888527 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888552 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888553 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888554 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888555 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888556 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888557 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888558 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888615 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888616 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888617 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888618 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888619 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888620 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888621 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095888622 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888623 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888624 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888625 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888626 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888627 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888628 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095888629 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)cc1 ZINC000095888662 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)cc1 ZINC000095888663 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)cc1 ZINC000095888664 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)cc1 ZINC000095888665 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)cc1 ZINC000095888666 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)cc1 ZINC000095888667 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)cc1 ZINC000095888668 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)cc1 ZINC000095888669 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888718 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888719 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888720 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888721 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888722 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888723 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888724 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888725 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccncc3)O[C@@H]1CO2 ZINC000095888744 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccncc3)O[C@H]1CO2 ZINC000095888745 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccncc3)O[C@H]1CO2 ZINC000095888746 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCCc3ccncc3)O[C@@H]1CO2 ZINC000095888747 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCCc3ccncc3)O[C@H]1CO2 ZINC000095888748 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccncc3)O[C@H]1CO2 ZINC000095888749 JF Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCCc3ccncc3)O[C@@H]1CO2 ZINC000095888750 JF Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888782 JF Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888783 JF Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888784 JF Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888785 JF Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888786 JF Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888787 JF Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888788 JF Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888789 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888846 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888847 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888848 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888849 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888850 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888851 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888852 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095888853 JF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095888869 JF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095888870 JF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095888871 JF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095888872 JF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095888873 JF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095888874 JF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(F)cc3)O[C@H]1CO2 ZINC000095888875 JF Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095888876 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888893 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888894 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888895 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888896 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888897 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888898 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888899 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)c(F)c4)cc3C(=O)N2C)O1 ZINC000095888900 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888926 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888927 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888928 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888929 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888930 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888931 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888932 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N2C)O1 ZINC000095888933 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NCc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888934 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NCc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888935 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NCc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095888936 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NCc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095888937 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NCc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095888938 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)NCc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095888939 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889068 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889069 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889070 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889071 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889072 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889073 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889074 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889075 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3OC)O[C@@H]1CO2 ZINC000095889076 JF Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N(C)C)O[C@@H]1CO2 ZINC000095889092 JF Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N(C)C)O[C@@H]1CO2 ZINC000095889093 JF Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N(C)C)O[C@H]1CO2 ZINC000095889094 JF Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N(C)C)O[C@@H]1CO2 ZINC000095889095 JF Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N(C)C)O[C@@H]1CO2 ZINC000095889096 JF Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)N(C)C)O[C@H]1CO2 ZINC000095889097 JF Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N(C)C)O[C@H]1CO2 ZINC000095889098 JF Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)N(C)C)O[C@H]1CO2 ZINC000095889099 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3F)O[C@@H]1CO2 ZINC000095889138 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889139 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889140 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889141 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889142 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889143 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889144 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889145 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889146 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889180 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889181 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889182 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889183 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889184 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889185 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889186 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889187 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCC3)O[C@@H]1CO2 ZINC000095889195 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCC3)O[C@H]1CO2 ZINC000095889196 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3CCC3)O[C@H]1CO2 ZINC000095889197 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCC3)O[C@H]1CO2 ZINC000095889198 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC3CCC3)O[C@@H]1CO2 ZINC000095889199 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC3CCC3)O[C@@H]1CO2 ZINC000095889200 JF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC3CCC3)O[C@H]1CO2 ZINC000095889201 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095889210 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095889211 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095889212 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095889213 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095889214 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095889215 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095889216 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095889217 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889305 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889306 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889307 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889308 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889309 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889310 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889311 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889312 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889313 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889314 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889315 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889316 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889317 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889318 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095889319 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889380 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889381 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889382 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889383 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889384 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889385 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889386 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cccc(F)c4)cc3C(=O)N2C)O1 ZINC000095889387 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095889404 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095889405 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095889406 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095889407 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095889408 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000095889409 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3cscn3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC3CC3)CC[C@H]21 ZINC000095889410 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889480 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889481 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889482 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889483 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889484 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889485 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095889486 JF Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]1CO2 ZINC000095889533 JF Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC(F)(F)F)O[C@H]1CO2 ZINC000095889534 JF Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC(F)(F)F)O[C@@H]1CO2 ZINC000095889535 JF Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]1CO2 ZINC000095891453 JF Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC(F)(F)F)O[C@@H]1CO2 ZINC000095891454 JF Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC(F)(F)F)O[C@H]1CO2 ZINC000095891455 JF Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC(F)(F)F)O[C@H]1CO2 ZINC000095891456 JF Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC(F)(F)F)O[C@H]1CO2 ZINC000095891457 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]1CO2 ZINC000095891515 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC(F)(F)F)O[C@H]1CO2 ZINC000095891516 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC(F)(F)F)O[C@H]1CO2 ZINC000095891517 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC(F)(F)F)O[C@@H]1CO2 ZINC000095891518 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC(F)(F)F)O[C@H]1CO2 ZINC000095891519 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC(F)(F)F)O[C@@H]1CO2 ZINC000095891520 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC(F)(F)F)O[C@H]1CO2 ZINC000095891521 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]1CO2 ZINC000095891522 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891562 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891563 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891564 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891565 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891566 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891567 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891568 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1 ZINC000095891569 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095891763 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095891764 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095891765 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095891766 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095891767 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095891768 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(OC)cc4)cc3C(=O)N2C)O1 ZINC000095891769 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095891824 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095891825 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095891826 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095891827 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095891828 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095891829 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4ccccc4OC)cc3C(=O)N2C)O1 ZINC000095891830 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891875 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095891876 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891877 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095891878 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891879 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095891880 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095891881 JF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095891882 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891897 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891898 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891899 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891900 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891901 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891902 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891903 JF Annotated Anodyne Cc1nn(C)cc1NC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891904 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095891922 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095891923 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095891924 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095891925 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095891926 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095891927 JF Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095891928 JF Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccccc4)cc3C(=O)N2C)O1 ZINC000095891929 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cccc(C)c3)O[C@@H]1CO2 ZINC000095891930 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3cn(C)nc3C)O[C@@H]1CO2 ZINC000095892160 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3cn(C)nc3C)O[C@@H]1CO2 ZINC000095892161 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)Nc3cn(C)nc3C)O[C@H]1CO2 ZINC000095892162 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3cn(C)nc3C)O[C@H]1CO2 ZINC000095892163 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3cn(C)nc3C)O[C@@H]1CO2 ZINC000095892164 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)Nc3cn(C)nc3C)O[C@H]1CO2 ZINC000095892165 JF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)Nc3cn(C)nc3C)O[C@H]1CO2 ZINC000095892166 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095892242 JF Annotated Mild COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095892316 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095892317 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095892318 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@@H]1CO2 ZINC000095892319 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095892320 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095892321 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CCCCC3)O[C@H]1CO2 ZINC000095892322 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccccc3C)O[C@@H]1CO2 ZINC000095892330 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095892406 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095892407 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095892408 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095892409 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095892410 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095892411 JF Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095892412 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892451 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892452 JF Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892453 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892454 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892455 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892456 JF Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892457 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892465 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892466 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892467 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892468 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892469 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892470 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1 ZINC000095892471 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095892692 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095892693 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095892694 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095892695 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095892696 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095892697 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095892698 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1 ZINC000095892699 JF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095892700 JF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095892701 JF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095892702 JF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095892703 JF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095892704 JF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095892705 JF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095892706 JF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095892707 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095893081 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095893082 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095893083 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095893084 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095893085 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095893086 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095893087 JF Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1 ZINC000095893088 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(F)cc3)O[C@@H]1CO2 ZINC000095893137 JF Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1 ZINC000095893178 JF Annotated Mild COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095893185 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095893186 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095893187 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095893188 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095893189 JF Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095893190 JF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1 ZINC000095893191 JF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095893221 JF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095893222 JF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095893223 JF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095893224 JF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095893225 JF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095893226 JF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095893227 JF Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCc4ccccc4)cc3C(=O)N2C)O1 ZINC000095893228 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095893229 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095893230 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095893231 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095893232 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095893233 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095893234 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095893235 JF Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095893407 JF Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095893408 JF Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095893409 JF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)Cc4ccccn4)[C@H]3CO)cc2)cc1 ZINC000095897911 JF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)Cc4ccccn4)[C@@H]3CO)cc2)cc1 ZINC000095897912 JF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)Cc4ccccn4)[C@H]3CO)cc2)cc1 ZINC000095897913 JF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)Cc4ccccn4)[C@H]3CO)cc2)cc1 ZINC000095897914 JF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)Cc4ccccn4)[C@H]3CO)cc2)cc1 ZINC000095897915 JF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)Cc4ccccn4)[C@H]3C#N)cc2)cc1 ZINC000095897916 JF Annotated Mild CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccccc1 ZINC000095898998 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccccc1 ZINC000095898999 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccccc1 ZINC000095899000 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccccc1 ZINC000095899001 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccccc1 ZINC000095899002 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccccc1 ZINC000095899003 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccccc1 ZINC000095899004 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccccc1 ZINC000095899005 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899027 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899028 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899029 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899030 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899031 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899032 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899033 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899034 JF Annotated Anodyne CO[C@H](CN(C)Cc1nccs1)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899125 JF Annotated Anodyne CO[C@@H](CN(C)Cc1nccs1)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899126 JF Annotated Anodyne CO[C@@H](CN(C)Cc1nccs1)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899127 JF Annotated Anodyne CO[C@H](CN(C)Cc1nccs1)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899128 JF Annotated Anodyne CO[C@H](CN(C)Cc1nccs1)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899129 JF Annotated Anodyne CO[C@@H](CN(C)Cc1nccs1)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899130 JF Annotated Anodyne CO[C@@H](CN(C)Cc1nccs1)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899131 JF Annotated Anodyne CO[C@H](CN(C)Cc1nccs1)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(C)cc1 ZINC000095899132 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)C1CCOCC1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899162 JF Annotated Anodyne CO[C@H](CN(C)C(=O)C1CCOCC1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899163 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)C1CCOCC1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899164 JF Annotated Anodyne CO[C@H](CN(C)C(=O)C1CCOCC1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899165 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)C1CCOCC1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899166 JF Annotated Anodyne CO[C@H](CN(C)C(=O)C1CCOCC1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899167 JF Annotated Anodyne CO[C@H](CN(C)C(=O)C1CCOCC1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO ZINC000095899168 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)C1CCOCC1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO ZINC000095899169 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095899208 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095899209 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095899210 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095899211 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095899212 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095899213 JF Annotated Anodyne CO[C@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095899214 JF Annotated Anodyne CO[C@@H](CN(C)C(=O)c1ccccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1 ZINC000095899215 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899263 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899264 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899265 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095899266 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@H]1O2 ZINC000095899267 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899401 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899402 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899403 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899404 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095899568 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095899569 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095899570 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095899571 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095899572 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095899573 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095899574 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095899575 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095899606 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095899607 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095899608 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095899609 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095899610 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095899611 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1F ZINC000095899612 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1F ZINC000095899613 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899614 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899615 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899616 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899617 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899618 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccc1 ZINC000095899619 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccc1 ZINC000095899620 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095899634 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095899635 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095899636 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095899637 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095899638 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095899639 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095899640 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899700 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095899701 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095899702 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899703 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095899704 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095899705 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095899706 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2)c1cccnc1 ZINC000095899730 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2)c1cccnc1 ZINC000095899731 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2)c1cccnc1 ZINC000095899732 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)c1cccnc1 ZINC000095899733 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)c1cccnc1 ZINC000095899734 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2)c1cccnc1 ZINC000095899735 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899781 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899782 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899783 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899784 JF Annotated Anodyne O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095899785 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)N1CCCCC1 ZINC000095899819 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)N1CCCCC1 ZINC000095899820 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)N1CCCCC1 ZINC000095899821 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)N1CCCCC1 ZINC000095899822 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1)N1CCCCC1 ZINC000095899823 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)N1CCCCC1 ZINC000095899824 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1)N1CCCCC1 ZINC000095899825 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)N1CCCCC1 ZINC000095899826 JF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899904 JF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899905 JF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899906 JF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899907 JF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899908 JF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899909 JF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899910 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)N4CCOCC4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095899928 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N4CCOCC4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095899929 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N4CCOCC4)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095899930 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N4CCOCC4)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095899931 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N4CCOCC4)O[C@H](CO)[C@H]2O3)cc1 ZINC000095899932 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N4CCOCC4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095899933 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N4CCOCC4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095899934 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)N4CCOCC4)O[C@H](CO)[C@H]2O3)cc1 ZINC000095899935 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@H]1O2 ZINC000095899943 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@@H]1O2 ZINC000095899944 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@H]1O2 ZINC000095899945 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@@H]1O2 ZINC000095899946 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095899947 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@H]1O2 ZINC000095899948 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095899949 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@H]1O2 ZINC000095899950 JF Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899975 JF Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899976 JF Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899977 JF Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899978 JF Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899979 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899980 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899981 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899982 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899983 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899984 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899985 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095899986 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095899987 JF Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)Nc5ccccc5F)ccc4O[C@@H]3[C@H](CO)O2)CC1 ZINC000095900019 JF Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)Nc5ccccc5F)ccc4O[C@H]3[C@@H](CO)O2)CC1 ZINC000095900020 JF Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)Nc5ccccc5F)ccc4O[C@@H]3[C@H](CO)O2)CC1 ZINC000095900021 JF Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@H]3c4cc(NC(=O)Nc5ccccc5F)ccc4O[C@H]3[C@@H](CO)O2)CC1 ZINC000095900022 JF Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@H]3c4cc(NC(=O)Nc5ccccc5F)ccc4O[C@H]3[C@H](CO)O2)CC1 ZINC000095900023 JF Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)Nc5ccccc5F)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095900024 JF Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)Nc5ccccc5F)ccc4O[C@H]3[C@H](CO)O2)CC1 ZINC000095900025 JF Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)Nc5ccccc5F)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095900026 JF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900121 JF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900122 JF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900123 JF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900124 JF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900125 JF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2 ZINC000095900126 JF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900127 JF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2 ZINC000095900128 JF Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900156 JF Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900157 JF Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900158 JF Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900159 JF Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900160 JF Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900161 JF Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900162 JF Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900163 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@H]1O2 ZINC000095900211 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@@H]1O2 ZINC000095900212 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@H]1O2 ZINC000095900213 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@@H]1O2 ZINC000095900214 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095900215 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@H]1O2 ZINC000095900216 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095900217 JF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@H]1O2 ZINC000095900218 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095900277 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095900278 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095900279 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095900280 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095900281 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCC1 ZINC000095900282 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1 ZINC000095900283 JF Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)Nc5ccc(F)cc5)ccc4O[C@@H]3[C@H](CO)O2)CC1 ZINC000095900284 JF Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)Nc5ccc(F)cc5)ccc4O[C@H]3[C@@H](CO)O2)CC1 ZINC000095900285 JF Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)Nc5ccc(F)cc5)ccc4O[C@@H]3[C@H](CO)O2)CC1 ZINC000095900286 JF Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@H]3c4cc(NC(=O)Nc5ccc(F)cc5)ccc4O[C@H]3[C@@H](CO)O2)CC1 ZINC000095900287 JF Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@H]3c4cc(NC(=O)Nc5ccc(F)cc5)ccc4O[C@H]3[C@H](CO)O2)CC1 ZINC000095900288 JF Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)Nc5ccc(F)cc5)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095900289 JF Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)Nc5ccc(F)cc5)ccc4O[C@H]3[C@H](CO)O2)CC1 ZINC000095900290 JF Annotated Anodyne CN1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)Nc5ccc(F)cc5)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095900291 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)N(C)C)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095900381 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N(C)C)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095900382 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N(C)C)O[C@@H](CO)[C@H]2O3)cc1 ZINC000095900383 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N(C)C)O[C@H](CO)[C@@H]2O3)cc1 ZINC000095900384 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N(C)C)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095900385 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N(C)C)O[C@H](CO)[C@H]2O3)cc1 ZINC000095900386 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)N(C)C)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095900387 JF Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)N(C)C)O[C@H](CO)[C@H]2O3)cc1 ZINC000095900388 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccnc1 ZINC000095900434 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccnc1 ZINC000095900435 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccnc1 ZINC000095900436 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccnc1 ZINC000095900437 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccnc1 ZINC000095900438 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccnc1 ZINC000095900439 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccnc1 ZINC000095900440 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccnc1 ZINC000095900441 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095900660 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095900661 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095900662 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095900663 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095900664 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095900665 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095900666 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095900683 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095900684 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095900685 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095900686 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095900687 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095900688 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095900689 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095900690 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900791 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900792 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900793 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900794 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900795 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2 ZINC000095900796 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900797 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2 ZINC000095900798 JF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900924 JF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900925 JF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900926 JF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900927 JF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900928 JF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900929 JF Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900930 JF Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900931 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095900955 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095900956 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095900957 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095900958 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095900959 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095900960 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095900961 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095901010 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095901011 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095901012 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095901013 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095901014 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095901015 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095901016 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095901017 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095901397 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095901398 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095901399 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095901913 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095901914 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095901915 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095901916 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccncc1 ZINC000095901917 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccncc1 ZINC000095901918 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2)Nc1ccccc1F ZINC000095902039 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2)Nc1ccccc1F ZINC000095902040 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2)Nc1ccccc1F ZINC000095902041 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2)Nc1ccccc1F ZINC000095902042 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2)Nc1ccccc1F ZINC000095902043 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2)Nc1ccccc1F ZINC000095902044 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2)Nc1ccccc1F ZINC000095902045 JF Annotated Anodyne O=C(Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2)Nc1ccccc1F ZINC000095902046 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095902047 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095902048 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095902049 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095902050 JF Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095902051 JF Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095902052 JF Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1 ZINC000095902053 JF Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1 ZINC000095902054 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095902068 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095902069 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H](CO)[C@@H]1O2 ZINC000095902070 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H](CO)[C@@H]1O2 ZINC000095902071 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095902072 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095902073 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H](CO)[C@@H]1O2 ZINC000095902074 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H](CO)[C@@H]1O2 ZINC000095902075 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H](CO)[C@@H]1O2 ZINC000095902076 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H](CO)[C@@H]1O2 ZINC000095902077 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000095902078 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000095902079 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H](CO)[C@@H]1O2 ZINC000095902080 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@@H](CO)[C@@H]1O2 ZINC000095902081 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000095902082 JF Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N[C@@H](C)c3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000095902083 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095904438 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095904439 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095904440 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095904441 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095904443 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095904445 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095904446 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@H]1CO ZINC000095904868 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO ZINC000095904870 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@H]1CO ZINC000095904873 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO ZINC000095904875 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095904877 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095904879 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095904880 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)Nc1cc(F)ccc1F ZINC000095904893 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)Nc1cc(F)ccc1F ZINC000095904894 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)Nc1cc(F)ccc1F ZINC000095904895 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)Nc1cc(F)ccc1F ZINC000095904896 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)Nc1cc(F)ccc1F ZINC000095904897 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)Nc1cc(F)ccc1F ZINC000095904898 JF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)Nc1cc(F)ccc1F ZINC000095904899 JF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)Nc1cc(F)ccc1F ZINC000095904901 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@H]1CO ZINC000095905064 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@H]1CO ZINC000095905065 JF Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO ZINC000095905066 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1ccccc1F ZINC000095905487 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO)c1ccccc1F ZINC000095905488 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1ccccc1F ZINC000095905489 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO)c1ccccc1F ZINC000095905490 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1ccccc1F ZINC000095905491 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO)c1ccccc1F ZINC000095905492 JF Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO)c1ccccc1F ZINC000095905493 JF Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO)c1ccccc1F ZINC000095905494 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)cc1 ZINC000095905730 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)cc1 ZINC000095905731 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)cc1 ZINC000095905732 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)cc1 ZINC000095905733 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)cc1 ZINC000095905734 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)cc1 ZINC000095905735 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)cc1 ZINC000095905736 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)cc1 ZINC000095905737 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095906724 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095906725 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095906726 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095906727 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095906728 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095906729 JF Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095906730 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095906731 JF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906732 JF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095906733 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906734 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095906735 JF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095906736 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906737 JF Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](CO)O1 ZINC000095906738 JF Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H](CO)O1 ZINC000095906739 JF Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](CO)O1 ZINC000095906740 JF Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H](CO)O1 ZINC000095906741 JF Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H](CO)O1 ZINC000095906742 JF Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](CO)O1 ZINC000095906743 JF Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H](CO)O1 ZINC000095906744 JF Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H](CO)O1 ZINC000095906745 JF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1 ZINC000095906959 JF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1 ZINC000095906960 JF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1 ZINC000095906961 JF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1 ZINC000095906962 JF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1 ZINC000095906963 JF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1 ZINC000095906964 JF Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1 ZINC000095906965 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2F)O[C@@H]1CO ZINC000095907006 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2F)O[C@@H]1CO ZINC000095907007 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2F)O[C@H]1CO ZINC000095907008 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2F)O[C@H]1CO ZINC000095907009 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2F)O[C@H]1CO ZINC000095907010 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2F)O[C@@H]1CO ZINC000095907011 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)Nc3cccc(F)c3)[C@H](CO)O2)cc1 ZINC000095907272 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](CO)O2)cc1 ZINC000095907273 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)Nc3cccc(F)c3)[C@H](CO)O2)cc1 ZINC000095907274 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)Nc3cccc(F)c3)[C@@H](CO)O2)cc1 ZINC000095907275 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](CO)O2)cc1 ZINC000095907276 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)Nc3cccc(F)c3)[C@H](CO)O2)cc1 ZINC000095907277 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)Nc3cccc(F)c3)[C@H](CO)O2)cc1 ZINC000095907278 JF Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)Nc3cccc(F)c3)[C@@H](CO)O2)cc1 ZINC000095907279 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C4CCCCC4)nn3)O[C@H]2CO)cc1 ZINC000095907389 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C4CCCCC4)nn3)O[C@@H]2CO)cc1 ZINC000095907390 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C4CCCCC4)nn3)O[C@@H]2CO)cc1 ZINC000095907391 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C4CCCCC4)nn3)O[C@H]2CO)cc1 ZINC000095907392 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C4CCCCC4)nn3)O[C@@H]2CO)cc1 ZINC000095907393 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C4CCCCC4)nn3)O[C@H]2CO)cc1 ZINC000095907394 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C4CCCCC4)nn3)O[C@H]2CO)cc1 ZINC000095907395 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C4CCCCC4)nn3)O[C@@H]2CO)cc1 ZINC000095907396 JF Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO ZINC000095907437 JF Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@@H]1CO ZINC000095907438 JF Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO ZINC000095907439 JF Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@@H]1CO ZINC000095907440 JF Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO ZINC000095907441 JF Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO ZINC000095907442 JF Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@@H]1CO ZINC000095907443 JF Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCNS(=O)(=O)c3cccc(Cl)c3)O[C@H]2CO)cc1 ZINC000095907539 JF Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCNS(=O)(=O)c3cccc(Cl)c3)O[C@@H]2CO)cc1 ZINC000095907540 JF Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@@H](CCNS(=O)(=O)c3cccc(Cl)c3)O[C@H]2CO)cc1 ZINC000095907541 JF Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCNS(=O)(=O)c3cccc(Cl)c3)O[C@@H]2CO)cc1 ZINC000095907542 JF Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCNS(=O)(=O)c3cccc(Cl)c3)O[C@@H]2CO)cc1 ZINC000095907543 JF Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@H](CCNS(=O)(=O)c3cccc(Cl)c3)O[C@H]2CO)cc1 ZINC000095907544 JF Annotated Anodyne COc1ccc(NC(=O)N[C@H]2CC[C@H](CCNS(=O)(=O)c3cccc(Cl)c3)O[C@H]2CO)cc1 ZINC000095907545 JF Annotated Anodyne COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CCNS(=O)(=O)c3cccc(Cl)c3)O[C@@H]2CO)cc1 ZINC000095907546 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C)[C@H](CO)O2)nn1 ZINC000095907555 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C)[C@@H](CO)O2)nn1 ZINC000095907556 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3C)[C@H](CO)O2)nn1 ZINC000095907557 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C)[C@H](CO)O2)nn1 ZINC000095907558 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3C)[C@@H](CO)O2)nn1 ZINC000095907559 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C)[C@H](CO)O2)nn1 ZINC000095907560 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C)[C@@H](CO)O2)nn1 ZINC000095907561 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)c3ccccc3F)[C@H](CO)O2)nn1 ZINC000095907624 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)c3ccccc3F)[C@H](CO)O2)nn1 ZINC000095907625 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)c3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095907626 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)c3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095907627 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)c3ccccc3F)[C@H](CO)O2)nn1 ZINC000095907628 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)c3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095907629 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)c3ccccc3F)[C@H](CO)O2)nn1 ZINC000095907630 JF Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)c3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095907631 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(-c4ccccc4F)nn3)O[C@H]2CO)cc1 ZINC000095907695 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(-c4ccccc4F)nn3)O[C@@H]2CO)cc1 ZINC000095907696 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(-c4ccccc4F)nn3)O[C@@H]2CO)cc1 ZINC000095907697 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(-c4ccccc4F)nn3)O[C@H]2CO)cc1 ZINC000095907698 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(-c4ccccc4F)nn3)O[C@@H]2CO)cc1 ZINC000095907699 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(-c4ccccc4F)nn3)O[C@H]2CO)cc1 ZINC000095907700 JF Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(-c4ccccc4F)nn3)O[C@@H]2CO)cc1 ZINC000095907701 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095907872 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095907873 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095907874 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095907875 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095907876 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095907877 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095907878 JF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095907879 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO ZINC000095907964 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO ZINC000095907965 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO ZINC000095907966 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO ZINC000095907967 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO ZINC000095907968 JF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO ZINC000095907969 JF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@H]1CO ZINC000095908110 JF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H]1CO ZINC000095908111 JF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@H]1CO ZINC000095908112 JF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H]1CO ZINC000095908113 JF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@H]1CO ZINC000095908114 JF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H]1CO ZINC000095908115 JF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@H]1CO ZINC000095908116 JF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H]1CO ZINC000095908117 JF Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)c1ccccc1 ZINC000095908118 JF Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)c1ccccc1 ZINC000095908119 JF Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1 ZINC000095908120 JF Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1 ZINC000095908121 JF Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)c1ccccc1 ZINC000095908122 JF Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)c1ccccc1 ZINC000095908123 JF Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1 ZINC000095908124 JF Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1 ZINC000095908125 JF Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)c1ccccc1 ZINC000095908126 JF Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)c1ccccc1 ZINC000095908127 JF Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1 ZINC000095908128 JF Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1 ZINC000095908129 JF Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)c1ccccc1 ZINC000095908130 JF Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)c1ccccc1 ZINC000095908131 JF Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1 ZINC000095908132 JF Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1 ZINC000095908133 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095908141 JF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095908142 JF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095908143 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095908144 JF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095908145 JF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095908146 JF Annotated Anodyne C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@](C2)([C@@H](OC(C)=O)C[C@@H]2C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]32C)[C@@H]1O ZINC000095909322 JF Annotated Mild in-vitro biogenic COC(=O)[C@@H](C)[C@@H](c1ccc(O)c(O)c1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000095909523 JF Annotated Clean in-vitro biogenic COC[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000095910460 JF Annotated Anodyne in-vitro biogenic O=C1C=CC[C@H]([C@H](O)[C@@H](O[C@H](c2ccccc2)[C@@H](O)[C@H]2CC=CC(=O)O2)c2ccccc2)O1 ZINC000095910537 JF Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H]5OC(C)=O)[C@]3(C2)[C@@H]1OC(C)=O ZINC000095911198 JF Annotated Mild in-vitro biogenic CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000095911361 JF Annotated Anodyne in-vitro biogenic CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000095911362 JF Annotated Anodyne in-vitro biogenic CC[C@H](C)CC(=O)O[C@@H]1OC=C(COC(C)=O)C2=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@@]3(CO3)[C@H]21 ZINC000095911910 JF Annotated Anodyne in-vitro biogenic OC/C=C/c1ccc2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](CO)O3)[C@@H](CO)O2 ZINC000095912378 JF Annotated Clean in-vitro biogenic OC/C=C/c1ccc2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](CO)O3)[C@@H](CO)O2 ZINC000095912379 JF Annotated Clean in-vitro biogenic OC/C=C/c1ccc2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O3)[C@@H](CO)O2 ZINC000095912380 JF Annotated Clean in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000095912802 JF Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000095912803 JF Annotated Mild in-vitro biogenic CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3CC[C@](C)([C@@H](O)c2ccoc2)[C@@]12O[C@@H]2C(=O)O ZINC000095912866 JF Annotated Anodyne in-vitro biogenic CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3CC[C@](C)([C@@H](O)c2ccoc2)[C@]12O[C@@H]2C(=O)O ZINC000095912867 JF Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)C=CC(=O)[C@@]32COC(C)=O)[C@@H]1OC(C)=O ZINC000095913318 JF Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C[C@H](OC(C)=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]23C)[C@@H]1O ZINC000095913485 JF Annotated Mild in-vitro biogenic COc1cc(CCNC(=O)/C=C/S(C)(=O)=O)ccc1OC/C=C(\C)CC/C=C(\C)CO ZINC000095913695 JF Annotated Anodyne in-vitro biogenic COc1cc2c(cc1[C@H]1OC[C@]3(OC(C)=O)[C@@H](Oc4ccc5c(c4)OCO5)OC[C@H]13)OCO2 ZINC000095914345 JF Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC(=O)[C@@H]3[C@@](C2)([C@@H]1OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]13C ZINC000095914768 JF Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000095918633 JF Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000095918634 JF Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@H]2C=O)[C@@H]1OC(C)=O ZINC000095918635 JF Annotated Mild in-vitro biogenic COc1ccc2c(c1)[C@@H](OS(=O)(=O)O)[C@H](c1cc(/C=C\C(=O)O)cc(OC)c1O)CO2 ZINC000095919067 JF Annotated Anodyne in-vitro biogenic C=C1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@]5(O)[C@@H](O)[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000095919272 JF Annotated Mild CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(CC[C@@H](O)C(C)(C)O)C/C=C(/CO)C(=O)/C=C\[C@@]1(C)O ZINC000095919361 JF Annotated Mild in-vitro biogenic CC(=O)Oc1c(O)c(C[C@H](C)O)c(O)c2c1[C@@]1(C)C[C@@H](OC(C)=O)CC(C)(C)C1=C(O)C2=O ZINC000095919420 JF Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C2)[C@H]1O ZINC000095919440 JF Annotated Mild in-vitro biogenic O=C(Nc1ccc(Cl)cn1)[C@H](COCCO)Oc1ncnc2c1cnn2-c1ccccc1Cl ZINC000095920815 JF Annotated Anodyne NCCCCC(=O)N[C@H]1Cc2ccccc2[C@H]1Cc1ccc2c(c1C(=O)O)OC[C@H](CCC(=O)O)O2 ZINC000095920902 JF Annotated Anodyne O=C(CN1[C@@H](Cl)CN=C(NCCc2ccccn2)[C@H]1O)NCc1csc2ccc(Cl)cc12 ZINC000095920924 JF Annotated Reactive O=C(CN1[C@H](Cl)CN=C(NCCc2ccccn2)[C@H]1O)NCc1csc2ccc(Cl)cc12 ZINC000095920925 JF Annotated Reactive COc1cc(-c2n[nH]c3ccc(C[C@@H](C#N)C(=O)NC(C)(C)CO)cc23)cc(OC)c1OC ZINC000095920989 JF Annotated Mild C[C@@H](CO)N(Cc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019376 JF Annotated Anodyne C[C@@H](CO)N(CCc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccccc1Br ZINC000096019378 JF Annotated Anodyne C=CS(=O)(=O)N(Cc1nnn(Cc2ccccc2)c1Br)[C@@H](CC(C)C)C(=O)OC ZINC000096019428 JF Annotated Anodyne C=CS(=O)(=O)N(Cc1nnn(Cc2ccccc2)c1Br)[C@H](C(=O)OC)C(C)C ZINC000096019432 JF Annotated Anodyne COC(=O)[C@H](C(C)C)N1CCc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019437 JF Annotated Anodyne COC(=O)[C@H](C(C)C)N1Cc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019906 JF Annotated Anodyne C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccco2)nn1 ZINC000096020682 JF Annotated Anodyne CC(C)C[C@H]1COc2cccc(F)c2S(=O)(=O)N1Cc1cn(CCC2OCCCO2)nn1 ZINC000096020694 JF Annotated Anodyne CCCN(C(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000096021556 JF Annotated Reactive CCCN(C(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000096021557 JF Annotated Reactive CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000096085561 JF Annotated Mild in-vitro C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc6c(=O)[nH]c(=O)oc56)[C@@H]3[C@H](C[C@@H]1C4)O2 ZINC000096085966 JF Annotated Mild in-vitro C[C@@H]1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(nc(-c4cccs4)nc3C(F)(F)F)C2)C1=O ZINC000096167476 JF Annotated Anodyne C[C@H]1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(nc(-c4cccs4)nc3C(F)(F)F)C2)C1=O ZINC000096167477 JF Annotated Anodyne CC(C)(C)CS(=O)(=O)N1CC[C@@]2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)[C@H](O)C1 ZINC000096167534 JF Annotated Anodyne CC(C)(C)CS(=O)(=O)N1CC[C@]2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)[C@H](O)C1 ZINC000096167535 JF Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3cccnc3Cl)CN12 ZINC000096168536 JF Annotated Anodyne O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)c3cccnc3Cl)CN12 ZINC000096168546 JF Annotated Anodyne CS(=O)(=O)c1ccccc1Cc1nc2c(Nc3ccccc3S(C)(=O)=O)cccn2n1 ZINC000096169595 JF Annotated Anodyne CS(=O)(=O)c1ccc(Oc2cccn3nc(Cc4cnn(CCN5CCCC5)c4)nc23)cc1 ZINC000096169736 JF Annotated Anodyne NS(=O)(=O)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 ZINC000096170126 JF Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N(CCO)CCO)nc1 ZINC000096170156 JF Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2C[C@@H]2C)n1 ZINC000096172436 JF Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2C[C@H]2C)n1 ZINC000096172437 JF Annotated Anodyne Oc1cc(CNC(=S)/C=C/c2ccc(O)c(O)c2I)cc(O)c1O ZINC000096172818 JF Annotated Clean COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C2CC2)c1Cl ZINC000096173859 JF Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(F)ccc3F)C2)nc(C2CC2)c1Cl ZINC000096173874 JF Annotated Anodyne CNC(=O)c1c2cc(C3CC3)c(N(CCC(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(F)cc1 ZINC000096174193 JF Annotated Anodyne CNc1nc2ccc(F)cc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@@](C)(=N)=O)CC2)n1 ZINC000096174417 JF Annotated Anodyne CNc1nc2cc(F)ccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@](C)(=N)=O)CC2)n1 ZINC000096174419 JF Annotated Anodyne O=C1N=C(N2CCN(CCCS(=O)(=O)O)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000096174481 JF Annotated Clean CN(C)C(=O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175329 JF Annotated Anodyne CN(C)C(=O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175330 JF Annotated Anodyne Cc1c(C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)ccc2ncc(C(=O)O)cc12 ZINC000096176189 JF Annotated Mild CN(C)c1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176196 JF Annotated Mild COc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176197 JF Annotated Mild CNc1ncnc2ccc(C#CCNC(=O)c3cc(Cl)nn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176315 JF Annotated Mild O=C(NCC#Cc1ccc2ncnc(-c3cn[nH]c3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O ZINC000096176321 JF Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccnc3OCCO)cc2)no1 ZINC000096176535 JF Annotated Mild C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177645 JF Annotated Anodyne C[C@H]1CN(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](N)[C@@H]1O ZINC000096177646 JF Annotated Anodyne CO[C@@H]1C[C@@H](C(=O)Cc2ccc(F)nc2)N(c2nc(NC3=NCC(C4CC4)=C3)c3cccn3n2)C1 ZINC000096177871 JF Annotated Anodyne CO[C@H]1C[C@@H](C(=O)Cc2ccc(F)nc2)N(c2nc(NC3=NCC(C4CC4)=C3)c3cccn3n2)C1 ZINC000096177874 JF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)CO[C@@H]1c1cc(F)c(F)cc1F ZINC000096177961 JF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)CO[C@H]1c1cc(F)c(F)cc1F ZINC000096177962 JF Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)NC(=O)c2ccccc2)cc1 ZINC000096258525 JF Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)NC(=O)c2ccccc2)cc1 ZINC000096258527 JF Annotated Anodyne N#Cc1cnccc1COc1cnc(N2CCN(C(=O)O[C@@H]3CC(F)(F)C3(F)F)CC2)nc1 ZINC000096269992 JF Annotated Mild N#Cc1cnccc1COc1cnc(N2CCN(C(=O)O[C@H]3CC(F)(F)C3(F)F)CC2)nc1 ZINC000096269993 JF Annotated Mild C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C ZINC000096270471 JF Annotated Anodyne Cc1ccc(F)cc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@H](C(=O)Nc2cccnc2)C(C)C)CC1=O ZINC000096270499 JF Annotated Anodyne CCOC(=O)C1CCN(c2ccc(N3C[C@@H](CNCc4ccc(C(=N)N)cc4)OC3=O)cc2)CC1 ZINC000096271555 JF Annotated Anodyne CCOC(=O)C1CCN(c2ccc(N3C[C@H](CNCc4ccc(C(=N)N)cc4)OC3=O)cc2)CC1 ZINC000096271556 JF Annotated Anodyne O=C(COc1cc(O)c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1)OCCCCO[N+](=O)[O-] ZINC000096273323 JF Annotated Anodyne CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C ZINC000096283072 JF Annotated Mild CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C ZINC000096283076 JF Annotated Mild CC(C)[C@@H]1C(=O)Nc2cc(S(=O)(=O)NCc3ccccc3)ccc2N1C(=O)CN1CCCCC1 ZINC000096283457 JF Annotated Anodyne CC(C)[C@H]1C(=O)Nc2cc(S(=O)(=O)NCc3ccccc3)ccc2N1C(=O)CN1CCCCC1 ZINC000096283458 JF Annotated Anodyne CC(C)CN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000096283567 JF Annotated Anodyne COc1ccc2nccc([C@H](O)C[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1 ZINC000096284040 JF Annotated Anodyne COc1ccc2nccc([C@@H](O)C[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1 ZINC000096284041 JF Annotated Anodyne COc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1 ZINC000096284042 JF Annotated Anodyne COc1ccc2nccc([C@H](O)C[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1 ZINC000096284051 JF Annotated Anodyne COc1ccc2nccc([C@@H](O)C[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1 ZINC000096284052 JF Annotated Anodyne CNS(=O)(=O)c1ccc(Nc2nc(N)c(/[N+]([O-])=N/C#N)c(OCC3CCCCC3)n2)cc1 ZINC000096284201 JF Annotated Clean Cc1ccc(Oc2ccc(N(C[C@H](NCc3ccncc3)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000096319062 JF Annotated Bother COc1cc([C@@H]2C(C(N)=C(C#N)C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000096336651 JF Annotated Reactive COc1cc([C@H]2C(C(N)=C(C#N)C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000096336652 JF Annotated Reactive CC(=O)O[C@H]1CC[C@@](C)(OC(C)=O)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)[C@H](O)C[C@@]1(C)OC(C)=O ZINC000096888359 JF Annotated Anodyne COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@]1(O)C[C@@]4(CC(C)=O)N(C[C@@H](CC3)[C@@]24C)C[C@H]1C ZINC000096888377 JF Annotated Anodyne C[C@@H]1[C@@H](O)[C@@H](O)[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)NN1C(=O)OCc1ccccc1 ZINC000096900899 JF Annotated Anodyne CCCc1ccccc1O[C@H]1C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N(C/C=C/[C@@H](N)CS)C1 ZINC000096900997 JF Annotated Mild COC(=O)[C@H](C)NC(=O)c1c(O)c2c(c3c1O[C@@]1(C)OC[C@H](C)[C@H]1C3)O[C@@]1(C)OC[C@H](C)[C@H]1C2 ZINC000096901215 JF Annotated Anodyne COC(=O)[C@@H](C)NC(=O)c1c(O)c2c(c3c1O[C@@]1(C)OC[C@H](C)[C@H]1C3)O[C@@]1(C)OC[C@H](C)[C@H]1C2 ZINC000096901216 JF Annotated Anodyne O=Cc1ccc(CN2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)cc1 ZINC000096901344 JF Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CC[C@@H](C(=O)c3csc(CN4CCCCC4)n3)[C@@H]21 ZINC000096902598 JF Annotated Anodyne CN1C(=O)[C@@]23CCCCN2C[C@@]12C[C@@]1(C(=O)Nc4c1ccc1c4OC[C@@H](O)C(C)(C)O1)C(C)(C)[C@H]2C3 ZINC000096902868 JF Annotated Anodyne COC(=O)c1cc2c([nH]1)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(OC)c(OC)c(OC)c4[nH]1)C3=CC2=O ZINC000096903578 JF Annotated Mild C=C1C[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@]2(C(=O)OC)C(=O)O[C@H](C)C(=O)[C@@]12C ZINC000096903746 JF Annotated Mild O=Cc1cccc(CN2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)c1 ZINC000096903808 JF Annotated Anodyne CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)Cc3nnnn3CCOC)cc2c1 ZINC000096903924 JF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 ZINC000096903980 JF Annotated Bother N#Cc1c(-c2ccc(S(=O)(=O)NC(CO)CO)cn2)n(C2CCC2)c2cc(OC(F)F)ccc12 ZINC000096907022 JF Annotated Mild CCOC(=O)CCCOc1ccc(/C=C/c2nc3c(c(=O)n(CC)c(=O)n3CC)n2C)cc1OC ZINC000096907709 JF Annotated Anodyne OCc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c(CO)c1CO ZINC000096908089 JF Annotated Reactive Oc1c(I)cc(I)cc1/C=N\CCn1cccn1 ZINC000096908574 JF Annotated Mild COC(=O)CNc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC ZINC000096908617 JF Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1 ZINC000096908629 JF Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000096908650 JF Annotated Bother CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CN1CCO ZINC000096909112 JF Annotated Mild CCOC(=O)C(=O)NCC1CCC(c2cc3n(n2)CCN3S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000096910679 JF Annotated Anodyne CC(C)C[C@@H]1NC(=O)C[C@H]2[C@@H]3OC(C)(C)O[C@H]3c3cc4c(cc3N2C/C=C\COC1=O)OCO4 ZINC000096911128 JF Annotated Clean Cc1cc(C)n2nc(SCc3nnc(SCc4coc5ccccc5c4=O)n3N)nc2n1 ZINC000096911302 JF Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4cc(=O)c5ccccc5o4)n3N)nc2n1 ZINC000096911315 JF Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(CO)nn1)OCOC(=O)C(C)(C)C ZINC000096913240 JF Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1ccc(N)nc1=O)OCOC(=O)C(C)(C)C ZINC000096913248 JF Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(F)c(N)nc1=O)OCOC(=O)C(C)(C)C ZINC000096913250 JF Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(C(=O)O)nn1)OCOC(=O)C(C)(C)C ZINC000096913260 JF Annotated Anodyne CCOC(=O)Cn1ncc2c(Nc3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)ncnc21 ZINC000096914182 JF Annotated Bother CC[C@H](C)[C@@H]1NC(=O)C[C@H]2[C@@H]3OC(C)(C)O[C@H]3c3cc4c(cc3N2C/C=C\COC1=O)OCO4 ZINC000096915273 JF Annotated Clean CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)[C@]2(O)[C@H](O)[C@H]1O ZINC000096917623 JF Annotated Anodyne C[C@]12c3[nH]c4ccccc4c3C[C@@H]1CC[C@@]1(O)C3=CC(=O)[C@@H]([C@](C)(O)CO)O[C@H]3CC[C@@]12C ZINC000096917625 JF Annotated Mild C[C@](O)(CO)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O ZINC000096917627 JF Annotated Mild CN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3nccn3C)c3ccccc23)CC1 ZINC000096917782 JF Annotated Mild Cc1c(/C=N/N2CCN(C)CC2)c2ccccc2n1S(=O)(=O)c1ccc(Cl)c2nonc12 ZINC000096917790 JF Annotated Mild CCCC[C@H](NC)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000096921370 JF Annotated Anodyne CC(C)(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000096921372 JF Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)[C@@H]3C(=O)C[C@@H](c4ccoc4)[C@]3(C)[C@@H](O)[C@H](O)[C@H]21 ZINC000096922202 JF Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@H]1O[C@@]34[C@H](O)C[C@@H](c5ccoc5)[C@]3(C)[C@@H](O)[C@H](O)[C@H]2[C@@]14C ZINC000096922203 JF Annotated Anodyne COc1c(-c2ccc3c(CNS(C)(=O)=O)noc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000096922476 JF Annotated Anodyne COC(=O)CC1=C(C)C2=C[C@H](OC(C)=O)[C@@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]3(C)[C@H]2CC1=O ZINC000096923928 JF Annotated Mild CO[C@@]12C[C@H]3[C@@H](CC[C@@]4(O)C(C)(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]34C)[C@@H](C)C1=CC(=O)O2 ZINC000096923933 JF Annotated Anodyne C[C@H]1C[C@]2(O)C(=O)[C@@]3(C)[C@@H]4O[C@H]4C(C)(C)[C@@H](O)CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1OC(=O)c1ccccc1 ZINC000096927027 JF Annotated Anodyne C[C@H]1C[C@]2(O)C(=O)[C@@]3(C)[C@@H]4O[C@H]4C(C)(C)[C@@H](O)CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000096927028 JF Annotated Anodyne C[C@H]1C[C@]2(O)C(=O)[C@@]3(C)[C@H](O)[C@@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1OC(=O)c1ccccc1)C4(C)C ZINC000096927029 JF Annotated Anodyne C[C@H]1C[C@]2(O)C(=O)[C@@]3(C)[C@H]4[C@H](CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1OC(=O)c1ccccc1)C(C)(C)[C@@H]4O ZINC000096927195 JF Annotated Anodyne COC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C(=O)[C@]12C ZINC000096927204 JF Annotated Anodyne COC(=O)[C@H]1CC[C@]2(OC=O)[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C(=O)[C@]12C ZINC000096927205 JF Annotated Anodyne O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1CC[C@@H](c3ccccc3)O[C@H]1C2 ZINC000096927625 JF Annotated Anodyne O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@@H](CC3CCCCC3)CO[C@@H]1C2 ZINC000096927644 JF Annotated Anodyne C[C@H](N[P@@](=O)(Oc1ccccc1)O[C@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(=O)OC1CCCCC1 ZINC000096928035 JF Annotated Anodyne C[C@H](N[P@](=O)(Oc1ccccc1)O[C@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(=O)OC1CCCCC1 ZINC000096928036 JF Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(Oc1cccc2ccccc12)O[C@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(C)C ZINC000096928039 JF Annotated Anodyne C[C@H](N[P@@](=O)(Oc1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(=O)OC1CCCCC1 ZINC000096928050 JF Annotated Anodyne C[C@H](N[P@](=O)(Oc1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(=O)OC1CCCCC1 ZINC000096928051 JF Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(Oc1cccc2ccccc12)O[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F)C(C)C ZINC000096928053 JF Annotated Anodyne CN1CCN(CCCn2c3c(sc4ncccc43)c(=O)n3nnc(-c4ccccc4)c23)CC1 ZINC000096928509 JF Annotated Bother CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(O)[C@H]3O[C@H]3[C@@]3(O)CC=CC(=O)[C@]23C)C1 ZINC000096929745 JF Annotated Mild COc1c(CCN2CCC(NS(C)(=O)=O)CC2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C ZINC000096929962 JF Annotated Anodyne C=C1[C@@H](O)[C@@H](OC(C)=O)[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000096937428 JF Annotated Mild O=C1O[C@@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000096937682 JF Annotated Bother COC(=O)c1ccc(-c2nn(-c3ccc(F)cc3F)cc2CNCCN2CCN(C)CC2)cc1 ZINC000096938560 JF Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(OCCOCCO)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000096938916 JF Annotated Clean COc1ccc(CN(Cc2cc3ccccc3nc2OC)C[C@H](O)CN2CCOCC2)cc1 ZINC000096939085 JF Annotated Anodyne COc1ccc(CN(Cc2cc3ccccc3nc2OC)C[C@@H](O)CN2CCOCC2)cc1 ZINC000096939086 JF Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@@H]1C[C@@H](O)CN1[C@H]2c1ccc(Br)cc1 ZINC000096940490 JF Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@@H]1[C@@H](O)CCN1[C@H]2c1ccc(Br)cc1 ZINC000096940505 JF Annotated Anodyne N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCBr)c1ccccc12 ZINC000098082235 JF Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCBr)c1ccccc12 ZINC000098082236 JF Annotated Reactive CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCC(=O)OCCCCCCO)CN1C ZINC000098082342 JF Annotated Anodyne CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000098082483 JF Annotated Clean CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000098082484 JF Annotated Clean CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@H]1c1ccccc1)CCCC2 ZINC000098083726 JF Annotated Clean CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@@H]1c1ccccc1)CCCC2 ZINC000098083727 JF Annotated Clean CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000098083730 JF Annotated Clean CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000098083731 JF Annotated Clean CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000098084446 JF Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000098084447 JF Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000098084448 JF Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000098084449 JF Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000098084705 JF Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000098084706 JF Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000098084707 JF Annotated Reactive CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000098084708 JF Annotated Reactive COc1ccc2nc(Cl)c(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)cc2c1 ZINC000098084815 JF Annotated Reactive COc1ccc2cc(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)c(Cl)nc2c1 ZINC000098084816 JF Annotated Reactive Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C3/C(=N)N(c4ccccc4)N=C3N)cc2)n1 ZINC000098085335 JF Annotated Anodyne CCOC(=O)C1=C(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)Nc2ccccc2N=C1C ZINC000098085862 JF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCO[C@@]23CCN(C(=O)Nc2ccccc2)C[C@H]3F)cc1OC ZINC000098176775 JF Annotated Anodyne CNc1nc2c(CCNCC3CCC(C#Cc4cccnc4)CC3)c3nc(N)[nH]c(=O)c3cc2[nH]1 ZINC000098207876 JF Annotated Mild O=C(CBr)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1 ZINC000098208115 JF Annotated Reactive