O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000001234975 IE Annotated Anodyne Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NCc3ccco3)[C@H]4C2=O)c1 ZINC000001346652 IE Annotated Anodyne COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1 ZINC000001351664 IE Annotated Anodyne COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1 ZINC000001351666 IE Annotated Anodyne COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c2ncccc12 ZINC000001365200 IE Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000001380858 IE Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000001380859 IE Annotated Anodyne Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C3(C(=O)N4CCCC4)CC3)ccc21 ZINC000001483779 IE Annotated Anodyne CSc1nn2c(N3CCNCC3)c3c(nc2c1S(=O)(=O)c1ccccc1)CCC3 ZINC000001490472 IE Annotated Anodyne CC[C@]1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000001490927 IE Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO ZINC000010450334 IE Annotated Mild CC(C)C[C@H](NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO ZINC000010450335 IE Annotated Mild N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@H]2CNC[C@H]21 ZINC000100009088 IE Annotated Mild C#CCCCO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000100024089 IE Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCc1cccnc1 ZINC000100056775 IE Annotated Anodyne N#Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cn2)c1N[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100061151 IE Annotated Mild N#Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cn2)c1N[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000100061154 IE Annotated Mild O=C1CC[C@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@@H]3C1 ZINC000100069407 IE Annotated Anodyne in-vitro N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3)cn2)[C@H]2COC[C@H]21 ZINC000100082913 IE Annotated Mild CCC(=O)NC[C@H]1CN(c2ccc(-c3ccc([C@]4(C#N)[C@H]5CNC[C@H]54)nc3)c(F)c2)C(=O)O1 ZINC000100083010 IE Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cnccn5)C[C@@H]3N4)cc2)cc1 ZINC000100101587 IE Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cnccn5)C[C@@H]3N4)cc2)c1 ZINC000100109174 IE Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cnccn5)C[C@@H]3N4)cc2)c1 ZINC000100109178 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1C(=O)C1CCCC1 ZINC000100138880 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1C(=O)C1CCCC1 ZINC000100138883 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CCCCC3)[C@@H]2N1C(=O)CC ZINC000100139058 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CCCCC3)[C@H]2N1C(=O)CC ZINC000100139061 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC)[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1CO ZINC000100139171 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccc(F)cc3)N(CC)[C@@H]21 ZINC000100139175 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1Cc1nccs1 ZINC000100139629 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1Cc1nccs1 ZINC000100139635 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3F)N(CC)[C@@H]21 ZINC000100139666 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC)[C@@H](C(=O)NCc2ccccc2F)[C@@H]1CO ZINC000100139669 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2N1CC ZINC000100140125 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H]2N1CC ZINC000100140126 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1CCC(F)(F)F ZINC000100140225 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1CCC(F)(F)F ZINC000100140227 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1C(=O)c1ccccc1 ZINC000100140301 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1C(=O)c1ccccc1 ZINC000100140304 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccccc3)N(C(=O)CC)[C@@H]21 ZINC000100140324 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)NCCc2ccccc2)[C@@H]1CO ZINC000100140329 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(CCC(F)(F)F)[C@@H]21 ZINC000100141567 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC(F)(F)F)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100141571 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CCCCC3)N(C(=O)CC)[C@@H]21 ZINC000100141768 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)NCC2CCCCC2)[C@@H]1CO ZINC000100141769 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCc4ccccc4C3)[C@H]2N1CC ZINC000100142393 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)[C@@H]2N1CC ZINC000100142396 IE Annotated Anodyne C=C(CCN)N[C@@H](CCCCNc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1)C(=O)O ZINC000100192656 IE Annotated Mild in-vitro C=C(CCN)N[C@H](CCCCNc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1)C(=O)O ZINC000100192658 IE Annotated Mild in-vitro CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 ZINC000100264102 IE Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 ZINC000100264106 IE Annotated Anodyne Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)s1 ZINC000100271532 IE Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)s1 ZINC000100271535 IE Annotated Anodyne Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)s1 ZINC000100271540 IE Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)s1 ZINC000100271542 IE Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000100277178 IE Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000100277180 IE Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000100277184 IE Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000100277186 IE Annotated Anodyne Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)s1 ZINC000100283150 IE Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)s1 ZINC000100283153 IE Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CNC(=S)NCc5ccccc5)(O4)[C@@H]3C2=O)cc1 ZINC000100287825 IE Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CNC(=S)NCc5ccccc5)(O4)[C@@H]3C2=O)cc1 ZINC000100287832 IE Annotated Anodyne COc1ccc(N2C(=O)C(Cl)=C(N[C@H]3C(=O)N(c4ccccc4)N(C)[C@@H]3C)C2=O)cc1 ZINC000100496073 IE Annotated Anodyne COc1ccc(N2C(=O)C(Cl)=C(N[C@H]3C(=O)N(c4ccccc4)N(C)[C@H]3C)C2=O)cc1 ZINC000100496077 IE Annotated Anodyne CCCCc1c(O)n(-c2ccc(OC)cc2)c(SCC(=O)N2CCOCC2)nc1=O ZINC000100553006 IE Annotated Anodyne O=C(CSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1)N1CCOCC1 ZINC000100607079 IE Annotated Anodyne CS(=O)(=O)CC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636789 IE Annotated Anodyne CN(C)S(=O)(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636876 IE Annotated Anodyne CCCCc1c(O)n(-c2ccccc2OC)c(SCC(=O)N2CCOCC2)nc1=O ZINC000100642756 IE Annotated Anodyne COC(=O)Cc1c(C)nc2nc(NCc3cc(Br)ccc3OC)nn2c1O ZINC000100695438 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100772058 IE Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC=C4[C@@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100772062 IE Annotated Anodyne in-man endogenous CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100772064 IE Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100772068 IE Annotated Anodyne in-man endogenous CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@]6(O)C5=O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100776823 IE Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@]6(O)C5=O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100776825 IE Annotated Anodyne in-man endogenous CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@](O)(C(=O)[C@]65O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100776826 IE Annotated Anodyne in-man endogenous CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@](O)(C(=O)[C@]65O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000100776827 IE Annotated Anodyne in-man endogenous Cc1cc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@H](C)C(=O)[C@H](C)C3=O)cc2)nc(C)n1 ZINC000100789929 IE Annotated Mild Cc1cc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@@H](C)C(=O)[C@H](C)C3=O)cc2)nc(C)n1 ZINC000100789933 IE Annotated Mild CCOC(=O)C(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100838659 IE Annotated Reactive CCOC(=O)C(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100838661 IE Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OC[C@H](O)CO)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000100845224 IE Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OC[C@H](O)CO)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000100845226 IE Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OC[C@@H](O)CO)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000100845228 IE Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OC[C@@H](O)CO)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000100845232 IE Annotated Reactive CN(C)C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000100847792 IE Annotated Anodyne COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CCC[C@@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000100848988 IE Annotated Anodyne COC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000100851312 IE Annotated Anodyne O=C1[C@H](NS(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cc[nH]cc-2n1 ZINC000100872357 IE Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cc[nH]cc-2n1 ZINC000100872360 IE Annotated Anodyne COc1c(O)cc(C(=O)O[C@H]2CCN3C[C@H]4C[C@@H](CN5C(=O)CCC[C@H]45)[C@@H]3C2)cc1O ZINC000100900269 IE Annotated Anodyne in-vitro C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000100903670 IE Annotated Mild in-vitro biogenic C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=C(NCCS(=O)(=O)O)C3=O ZINC000100921103 IE Annotated Mild O=C1CN(S(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935012 IE Annotated Anodyne O=C1CN(S(=O)(=O)CCc2ccc(Cl)s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935032 IE Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3cccnc3s2)CCN1Cc1cc2c[nH]ccc-2n1 ZINC000100935051 IE Annotated Anodyne O=C(NNC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cccs2)CC1)c1cccs1 ZINC000100956647 IE Annotated Reactive CC(=O)NC1=CC(=O)c2ccc(-c3[nH]c(C(N)=O)cc4c5ccccc5nc3-4)nc2C1=O ZINC000100980994 IE Annotated Mild COc1c(N2C[C@@H]3C[C@@H]2CN3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000101017300 IE Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1C[C@@H]1CCCO1 ZINC000101034880 IE Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1C[C@H]1CCCO1 ZINC000101034882 IE Annotated Anodyne O=C(O)C(=O)/C=C(/O)c1nc2c(=O)n(Cc3ccccc3)cnc2n1Cc1ccccc1 ZINC000101042935 IE Annotated Mild O=c1c(C2=NS(=O)(=O)c3cccc(O)c3N2)c(O)c2cccnc2n1Cc1ccccc1 ZINC000101056412 IE Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccc(O)cc3N2)c(O)c2cccnc2n1Cc1ccccc1 ZINC000101056416 IE Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(N)ccc3N2)c(O)c2cccnc21 ZINC000101058490 IE Annotated Anodyne O=C(O)C(=O)/C=C(\O)c1nc2c(ncn2Cc2ccccc2)c(=O)n1Cc1ccccc1 ZINC000101075944 IE Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1C[C@@H]1CCOC1 ZINC000101077584 IE Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1C[C@H]1CCOC1 ZINC000101077587 IE Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c(O)c2cccnc21 ZINC000101085946 IE Annotated Anodyne CCN(CC)CCNC(=O)c1cc([123I])c(NC(C)=O)cc1OC ZINC000101087099 IE Annotated Anodyne O=C(O)COc1ccc(Nc2ncc3nnn(C45C[C@@H]6C[C@H](CC(O)(C6)C4)C5)c3n2)cc1 ZINC000101130068 IE Annotated Anodyne O=C(O)COc1ccc(Nc2ncc3nnn(C45C[C@H]6C[C@@H](CC(O)(C6)C4)C5)c3n2)cc1 ZINC000101130074 IE Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@](O)(OC5)[C@@]3([C@@H]1OC(C)=O)[C@@H]2O ZINC000101135056 IE Annotated Mild CCOC(=O)C(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000101259115 IE Annotated Reactive CCOC(=O)C(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000101259118 IE Annotated Reactive O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 ZINC000101273477 IE Annotated Anodyne O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 ZINC000101273480 IE Annotated Anodyne OCC(CO)OCN1CNc2c1nc1nc(-c3ccc(-c4ccccc4)cc3)cn1c2O ZINC000101273580 IE Annotated Anodyne Cc1cc2cc(N/C(=N\C#N)N[C@H]3CCCCN(CC(=O)N4C[C@H]5C[C@@H]5C4)C3=O)ccc2o1 ZINC000101275150 IE Annotated Mild Cc1cc2cc(N/C(=N\C#N)N[C@H]3CCCCN(CC(=O)N4C[C@@H]5C[C@H]5C4)C3=O)ccc2o1 ZINC000101275152 IE Annotated Mild C[C@@H]1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2/C1=N/NC(=N)N ZINC000101288777 IE Annotated Mild C[C@H]1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2/C1=N/NC(=N)N ZINC000101288785 IE Annotated Mild CCOC(=O)N1CCC(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 ZINC000101411460 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C)cc3)[C@@H]4C2=O)CC1 ZINC000101411471 IE Annotated Anodyne COc1cc(C)cc2c1C(=O)[C@H]1O[C@]1(c1c(C)cc3c(c1OC)C(=O)[C@H]1O[C@@H]1C3=O)C2=O ZINC000101437389 IE Annotated Clean COc1cc(C)cc2c1C(=O)[C@@H]1O[C@]1(c1c(C)cc3c(c1OC)C(=O)[C@H]1O[C@@H]1C3=O)C2=O ZINC000101437394 IE Annotated Clean COc1cc(C)cc2c1C(=O)[C@H]1O[C@@]1(c1c(C)cc3c(c1OC)C(=O)[C@H]1O[C@@H]1C3=O)C2=O ZINC000101437398 IE Annotated Clean C[C@]1(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1ccccc1C#N ZINC000101543734 IE Annotated Mild C[C@]1(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)CCCN1S(=O)(=O)c1ccccc1C#N ZINC000101543743 IE Annotated Mild Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CCN1CCN(C(=O)C(C)C)CC1 ZINC000101550531 IE Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(OC2CCC2)n1 ZINC000101584829 IE Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(OC2CCC2)n1 ZINC000101584835 IE Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(OC2CCC2)n1 ZINC000101584840 IE Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(OC2CCC2)n1 ZINC000101584846 IE Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1 ZINC000101584921 IE Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1 ZINC000101584926 IE Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1 ZINC000101584932 IE Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1 ZINC000101584937 IE Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1OC1CCC1 ZINC000101584944 IE Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1OC1CCC1 ZINC000101584950 IE Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1OC1CCC1 ZINC000101584956 IE Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1OC1CCC1 ZINC000101584961 IE Annotated Anodyne CN(C)C(=O)CNc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000101585085 IE Annotated Anodyne CN(C)C(=O)CNc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(C2CCCC2)n1 ZINC000101585090 IE Annotated Anodyne CN(C)C(=O)CNc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(C2CCCC2)n1 ZINC000101585095 IE Annotated Anodyne CN(C)C(=O)CNc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000101585103 IE Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3CCS(=O)(=O)O)cc2ccccc21 ZINC000101633515 IE Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C ZINC000101635986 IE Annotated Anodyne CCN1C[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 ZINC000101645444 IE Annotated Anodyne CCN1C[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 ZINC000101645448 IE Annotated Anodyne CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](O)[C@]34O[C@]3(C)C(=O)O[C@H]4/C=C(/C)CC[C@@H](OC(C)=O)[C@@]12C ZINC000101706255 IE Annotated Anodyne Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)cc2)n1 ZINC000101710840 IE Annotated Anodyne Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)cc2)n1 ZINC000101710845 IE Annotated Anodyne CN1CCN(NC(=O)c2ccc(S(=O)(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)cc2)CC1 ZINC000101712444 IE Annotated Anodyne CCOc1ccccc1NC(=O)C1CCC(C/N=c2/c(N3CCOCC3)c(O)c2=O)CC1 ZINC000101727312 IE Annotated Anodyne aggregator COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3nnc(C)c-3c2N)cc1 ZINC000101727460 IE Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C\c2ccccc2O)s/c1=C1\C(=O)Nc2ccccc21 ZINC000101747721 IE Annotated Anodyne CCN(CC)CCCn1c(=O)/c(=C/c2ccccc2O)s/c1=C1\C(=O)Nc2ccccc21 ZINC000101747724 IE Annotated Anodyne CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCS(=O)(=O)O)cc2ccccc21 ZINC000101804843 IE Annotated Anodyne C=C1C(=O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCc1ccccc1 ZINC000101835430 IE Annotated Mild CCCCNC(=O)c1ccc(C/N=c2/c(N3CCC(C(=O)OCC)CC3)c(O)c2=O)cc1 ZINC000101875448 IE Annotated Anodyne CN(C)c1ccc(-c2cn3c(=O)c4ncn([C@H]5C[C@H](N=[N+]=[N-])[C@@H](CO)O5)c4nc3[nH]2)cc1 ZINC000101878524 IE Annotated Clean O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@]1(CNS(=O)(=O)c3ccccc3)C=C[C@H]2O1 ZINC000101916349 IE Annotated Anodyne CCN(Cc1ccccc1)C(=O)C1CCC(C/N=c2/c(N3CCOCC3)c(O)c2=O)CC1 ZINC000101929073 IE Annotated Anodyne COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCNC(C)=O)(C2)[C@H]13 ZINC000101970973 IE Annotated Anodyne O=C1O[C@@H](COC(=O)N2O[C@H]3C=C[C@H]2CC3)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000101986634 IE Annotated Anodyne O=C1O[C@@H](COC(=O)N2O[C@@H]3C=C[C@@H]2CC3)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000101986643 IE Annotated Anodyne Cc1c(F)c(N2C[C@H]3[C@H](N)[C@H]3C2)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000102121841 IE Annotated Anodyne O=C(NCCCN1CCCCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000102128445 IE Annotated Anodyne O=C(NCCCN1CCCCCC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000102128448 IE Annotated Anodyne CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C[C@]1(C)CN ZINC000102147819 IE Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C[C@@]1(C)CN ZINC000102147826 IE Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@]1(C)CN ZINC000102156665 IE Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@]1(C)CN ZINC000102156669 IE Annotated Mild O=C(Nc1ccc(Cn2cnc3ncnc-3c2O)cc1)c1ccc(S(=O)(=O)F)cc1 ZINC000102212069 IE Annotated Unstable Cc1c(F)c(N2C[C@@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000102215691 IE Annotated Anodyne N#CC1=C[C@@H]2C(OCCN3CCC(Oc4ccc5c(c4)NC(=O)CO5)CC3)=CC=C[C@H]2N1 ZINC000102238990 IE Annotated Reactive N#CC1=C[C@@H]2C(OCCN3CCC(Oc4ccc5c(c4)NC(=O)CO5)CC3)=CC=C[C@@H]2N1 ZINC000102238995 IE Annotated Reactive N#CC1=C[C@H]2C(OCCN3CCC(Oc4ccc5c(c4)NC(=O)CO5)CC3)=CC=C[C@H]2N1 ZINC000102238998 IE Annotated Reactive N#CC1=C[C@H]2C(OCCN3CCC(Oc4ccc5c(c4)NC(=O)CO5)CC3)=CC=C[C@@H]2N1 ZINC000102239002 IE Annotated Reactive COc1cccc(C(=O)O[C@@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@@]32O4)c1 ZINC000102321859 IE Annotated Anodyne CCOc1ccccc1NC(=O)C1CCC(C/N=c2\c(N3CCOCC3)c(O)c2=O)CC1 ZINC000102385996 IE Annotated Anodyne C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@H]3CC[C@@H]12 ZINC000102431486 IE Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccnc2)/C1=C(/O)c1ccc(Cl)cc1 ZINC000102495896 IE Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccnc2)/C1=C(/O)c1ccc(Cl)cc1 ZINC000102495903 IE Annotated Mild CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N\CCCN(CC)Cc2ccccc2)CC1 ZINC000102637087 IE Annotated Anodyne CCCSc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCN23)cc1OC ZINC000102645889 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C ZINC000102647900 IE Annotated Anodyne CCOC(=O)Cc1nnc(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)s1 ZINC000102664287 IE Annotated Anodyne C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@H]12 ZINC000102673809 IE Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)/C1=C(/O)c1ccc(Cl)cc1 ZINC000102715093 IE Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)/C1=C(/O)c1ccc(Cl)cc1 ZINC000102715098 IE Annotated Mild C[C@H](NC(=O)C1CCC(C/N=c2\c(N3CCOCC3)c(O)c2=O)CC1)c1ccccc1 ZINC000102788720 IE Annotated Anodyne C[C@@H](NC(=O)C1CCC(C/N=c2\c(N3CCOCC3)c(O)c2=O)CC1)c1ccccc1 ZINC000102788722 IE Annotated Anodyne CCOC(=O)OCOP(=O)(OCOC(=O)OCC)c1ccc(C2=NOC(=O)C2)o1 ZINC000102811220 IE Annotated Mild CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)c1ccc(C2=NOC(=O)C2)o1 ZINC000102813941 IE Annotated Mild CCN1C(=O)CN/C1=N\c1ccc2cc3ccc(/N=C4\NCC(=O)N4CC)cc3nc2c1 ZINC000102824804 IE Annotated Mild CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000102839369 IE Annotated Anodyne COc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN(C(C)=O)CC3)=C(O)C2)cc1OC ZINC000102864228 IE Annotated Mild O=C1NC(=O)C(CNc2nnc(CN3c4ccccc4Sc4ccccc43)o2)C(=O)N1 ZINC000102899627 IE Annotated Anodyne Cc1ccc2c(c1)/C(=c1/s/c(=C/c3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2 ZINC000102902602 IE Annotated Anodyne Cc1ccc2c(c1)/C(=c1/s/c(=C\c3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2 ZINC000102902603 IE Annotated Anodyne COc1ccc(N2C(=O)CC(=O)N(NC(=O)[C@@H](C)Oc3ccccc3C)C2=S)cc1 ZINC000102916691 IE Annotated Anodyne C[C@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000102931737 IE Annotated Mild COC(=O)C1=C[C@H]2C[C@H]1[C@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1 ZINC000102942711 IE Annotated Anodyne CN(C)C(=O)C(F)(F)[C@@H](c1ccc(C(F)(F)F)cc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000102946022 IE Annotated Anodyne Cc1c(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000102962737 IE Annotated Anodyne COc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 ZINC000102967582 IE Annotated Mild Cc1ccccc1N1C(=O)[C@H]2C=C[C@@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C[C@H]2C1=O ZINC000102978659 IE Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1OC ZINC000102979222 IE Annotated Anodyne O=CN1CC[C@]23C[C@@H](O)CC[C@H]2[C@@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 ZINC000102982217 IE Annotated Anodyne O=CN1CC[C@@]23C[C@@H](O)CC[C@H]2[C@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 ZINC000102982220 IE Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C)c(C)[n+]2[O-] ZINC000102982821 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 ZINC000103030343 IE Annotated Anodyne CCSc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000103043278 IE Annotated Anodyne 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(C)=O ZINC000103099351 IE Annotated Mild COCO[C@@H]1C(=O)OC[C@]12[C@@]1(C(C)(C)C)C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@]342)O1 ZINC000103105994 IE Annotated Reactive COCO[C@@H]1C(=O)OC[C@@]12[C@@]1(C(C)(C)C)C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@]342)O1 ZINC000103105998 IE Annotated Reactive COc1ccccc1C(=O)O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@H]3C=C[C@]12O3 ZINC000103109060 IE Annotated Anodyne COc1cccc(C(=O)O[C@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@]23O4)c1 ZINC000103109065 IE Annotated Anodyne C[C@H]1CC(=O)[C@@H](CC(=O)O)[C@H]1[C@@H](C(=O)C(=O)Nc1cc(Cl)ccc1Cl)[N+](=O)[O-] ZINC000103131992 IE Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-] ZINC000103147716 IE Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000103147718 IE Annotated Mild C/C=C(\C)C(=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 ZINC000103148865 IE Annotated Anodyne CCc1cc(I)cc(CC)c1C1C(=O)N2CCOCCN2C1=O ZINC000103168561 IE Annotated Clean COc1ccccc1CNC(=O)Cn1nc2c(c1C)N(C)S(=O)(=O)c1ccccc1-2 ZINC000103195190 IE Annotated Anodyne CCOc1cccc(C(F)(F)F)c1S(=O)(=O)Nc1nc2c(OC)cnc(OC)n2n1 ZINC000103195763 IE Annotated Anodyne COc1ccc(CNC(=O)Cn2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)cc1 ZINC000103196840 IE Annotated Anodyne O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCN(CCOCCO)CC1 ZINC000103199150 IE Annotated Anodyne CC(C)C[C@@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 ZINC000103200805 IE Annotated Anodyne CC(C)C[C@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 ZINC000103200809 IE Annotated Anodyne CC[C@@H](C)[C@@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 ZINC000103200813 IE Annotated Anodyne CC[C@H](C)[C@@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 ZINC000103200817 IE Annotated Anodyne CC[C@@H](C)[C@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 ZINC000103200819 IE Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 ZINC000103200822 IE Annotated Anodyne COCCOP(=O)(OCCOC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 ZINC000103209061 IE Annotated Reactive COCCOP(=O)(OCCOC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 ZINC000103209062 IE Annotated Reactive COCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCOC ZINC000103211230 IE Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CC(=O)OCC(C)C)CN1C ZINC000103219687 IE Annotated Anodyne N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000103219855 IE Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000103219858 IE Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000103219859 IE Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000103219862 IE Annotated Reactive COc1cc(-c2c(C(N)=O)nnn2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103230343 IE Annotated Anodyne CC(=N\NC(=O)c1cccs1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)N1CCCCC1 ZINC000103230483 IE Annotated Reactive CCC[C@H](OC(=O)CO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231557 IE Annotated Anodyne CCC[C@@H](OC(=O)CO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231559 IE Annotated Anodyne Cc1c([C@H](N)C(=O)NCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000103232533 IE Annotated Clean Cc1c([C@@H](N)C(=O)NCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000103232535 IE Annotated Clean CC1=CC2=C(Cc3c(O)c(C)c4oc(C)cc(=O)c4c3O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1 ZINC000103237817 IE Annotated Mild COc1ccc(NC[C@H](O)COc2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1 ZINC000103238694 IE Annotated Anodyne COc1ccc(NC[C@@H](O)COc2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1 ZINC000103238697 IE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H](O)CNc3ccc(C#N)cc3)c(F)c2)C(=O)O1 ZINC000103238705 IE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(OC[C@H](O)CNc3ccc(C#N)cc3)c(F)c2)C(=O)O1 ZINC000103238707 IE Annotated Mild Cn1nnnc1SCC(=O)N/N=c1/scc(-c2ccc(C#N)cc2)n1-c1ccccc1 ZINC000103241815 IE Annotated Reactive CC(C)S(=O)(=O)N1CCC2(CCN(C(=O)N3CCCN(C4CCC4)CC3)C2)CC1 ZINC000103243097 IE Annotated Anodyne NS(=O)(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1 ZINC000103247934 IE Annotated Anodyne CCOC(=O)c1nnn(-c2cc3oc4ccccc4c3cc2OC)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256619 IE Annotated Anodyne C=C(COC(C)=O)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](OC(C)=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000103260653 IE Annotated Mild C=C(COCOC)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](OCOC)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000103260665 IE Annotated Mild O=C(NC1CCCCCC1)c1cc(Br)cn(CCN2CCOCC2)c1=O ZINC000103263598 IE Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc(-c4nnn(C)n4)nc3)c(=O)n(C(C)C)c2s1 ZINC000103264832 IE Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc(-c4nnnn4C)nc3)c(=O)n(C(C)C)c2s1 ZINC000103264834 IE Annotated Anodyne CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(C#N)ccc21 ZINC000103266602 IE Annotated Mild C[C@H](O)c1cc2c(cc1F)c(C#N)c(-c1ccc(S(N)(=O)=O)cn1)n2-c1ncccn1 ZINC000103268854 IE Annotated Mild C[C@@H](O)c1cc2c(cc1F)c(C#N)c(-c1ccc(S(N)(=O)=O)cn1)n2-c1ncccn1 ZINC000103268856 IE Annotated Mild Cc1nn(C)cc1-c1nc2c(N3CCC[C@H](CNS(C)(=O)=O)C3)c(Cl)cnc2[nH]1 ZINC000103273761 IE Annotated Anodyne Cc1nn(C)cc1-c1nc2c(N3CCC[C@@H](CNS(C)(=O)=O)C3)c(Cl)cnc2[nH]1 ZINC000103273764 IE Annotated Anodyne COc1cc2c(cc1[C@H]1OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]13)OCCO2 ZINC000103274154 IE Annotated Anodyne O=C(NC(=S)Nc1ccccc1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O ZINC000103284854 IE Annotated Bother O=c1[nH]c(CSc2nc3c(-c4ccc(Cl)cc4)cnn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288866 IE Annotated Anodyne O=c1[nH]c(CSc2nc3cc(-c4ccc(Cl)cc4)nn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288897 IE Annotated Anodyne O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN(CCO)CC1 ZINC000103289086 IE Annotated Bother O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN(CCO)CC1 ZINC000103289089 IE Annotated Bother O=C(NCC(=O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 ZINC000103298112 IE Annotated Anodyne O=C(NC[C@@H](O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 ZINC000103298135 IE Annotated Anodyne O=C(NC[C@H](O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 ZINC000103298137 IE Annotated Anodyne O=C(NCC[C@@H](O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 ZINC000103298148 IE Annotated Anodyne O=C(NCC[C@H](O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 ZINC000103298150 IE Annotated Anodyne NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1ccc(N3CCSCC3)cc1)CC2 ZINC000103301364 IE Annotated Anodyne CC/N=c1\c(NS(=O)(=O)c2c(C)nc3sccn3c2=O)c(O)oc2ccccc12 ZINC000103532102 IE Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1ccc(C/N=c2/c(N3CCOCC3)c(O)c2=O)cc1 ZINC000103533455 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1[C@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@@H]1OC(=O)C(=C)C ZINC000103559711 IE Annotated Mild in-vitro biogenic COc1ccccc1CNC(=O)C1CCC(C/N=c2/c(N3CCCC3)c(O)c2=O)CC1 ZINC000103590220 IE Annotated Anodyne COc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3nnc(C)c-3c2N)c1 ZINC000103623127 IE Annotated Anodyne COc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3nnc(C)c-3c2N)c1 ZINC000103623131 IE Annotated Anodyne Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CC(=O)Nc5ccccc54)nc2-3)cc1 ZINC000103778715 IE Annotated Anodyne Cc1cccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CC(=O)Nc5ccccc54)nc2-3)c1 ZINC000103780347 IE Annotated Anodyne O=C1CN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)c2ccccc2N1 ZINC000103782186 IE Annotated Anodyne COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@]12C(=O)N(C)c1ccccc12 ZINC000103791002 IE Annotated Mild COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@]12C(=O)N(C)c1ccccc12 ZINC000103791007 IE Annotated Mild CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c1 ZINC000103796839 IE Annotated Mild CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c1 ZINC000103796843 IE Annotated Mild COc1ccc(CNC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)cc1 ZINC000103902521 IE Annotated Anodyne COC1=C/C(=C/NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C=CC1=O ZINC000103906769 IE Annotated Reactive C/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1N/C=C1\C=CC(=O)C(OC)=C1 ZINC000103915548 IE Annotated Mild C/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1N/C=C1\C=CC(=O)C(OC)=C1 ZINC000103915551 IE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000103915746 IE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCNCC3)[C@H]2c2ccc(C)cc2)cc1 ZINC000103915751 IE Annotated Mild CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)c1 ZINC000103990180 IE Annotated Mild CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c1 ZINC000103990184 IE Annotated Mild CCN(CC)C1=CC(=O)/C(=C/Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C=C1 ZINC000103995138 IE Annotated Mild CCCOC1=CC(=O)/C(=C/Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C=C1 ZINC000103995145 IE Annotated Mild COCCN1C(SCC(=O)Nc2nnc(C)s2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104007984 IE Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC ZINC000104025382 IE Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC ZINC000104025386 IE Annotated Anodyne COc1cc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000104025412 IE Annotated Anodyne COc1cc(OC)c([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000104025417 IE Annotated Anodyne COCCCN1C(=O)C2=C(/C(=C3\C=C(C)C=C(C)C3=O)NN2)[C@H]1c1ccc(O)c(OC)c1 ZINC000104027823 IE Annotated Mild COCCCN1C(=O)C2=C(/C(=C3\C=C(C)C=C(C)C3=O)NN2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000104027828 IE Annotated Mild COC(=O)c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000104084431 IE Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000104084435 IE Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N ZINC000104146536 IE Annotated Anodyne C[C@@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CCC[C@H]1C ZINC000104146541 IE Annotated Anodyne CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)CC1 ZINC000104215719 IE Annotated Anodyne CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)CC1 ZINC000104215723 IE Annotated Anodyne CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)CC1 ZINC000104215730 IE Annotated Anodyne CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)CC1 ZINC000104215736 IE Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000104263771 IE Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000104263775 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@](O)([C@@H]4O)[C@@H](O)[C@]56O)[C@]3(C)CC[C@]2(C)CC1 ZINC000104350243 IE Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@](O)([C@@H]4O)[C@@H](O)[C@]56O)[C@]3(C)CC[C@]2(C)CC1 ZINC000104350250 IE Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@@](O)(C(=O)[C@]56O)[C@@H]4O)[C@]3(C)CC[C@]2(C)CC1 ZINC000104359962 IE Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@@](O)(C(=O)[C@]56O)[C@@H]4O)[C@]3(C)CC[C@]2(C)CC1 ZINC000104359966 IE Annotated Anodyne in-man CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000104411496 IE Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000104411539 IE Annotated Anodyne Cc1cc(C)cc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]4C2=O)c1 ZINC000104412286 IE Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(CCCN5CCOCC5)C(=O)[C@@H]24)O3)cc1 ZINC000104436993 IE Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000104561063 IE Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000104561066 IE Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3cnccn3)C2)c1 ZINC000104645807 IE Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3cnccn3)C2)c1 ZINC000104645812 IE Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3cnccn3)C2)c1 ZINC000104645815 IE Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3cnccn3)C2)c1 ZINC000104645817 IE Annotated Anodyne O=C1CC[C@]23/C=C\C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@H]3C1 ZINC000104762639 IE Annotated Anodyne O=C1CC[C@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@H]3C1 ZINC000104762645 IE Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@H]1O ZINC000105306686 IE Annotated Clean C#Cc1cccc(N2C(=O)[C@H]3C4C=CC([C@@H]3C2=O)[C@H]2C(=O)N(c3cccc(C#C)c3)C(=O)[C@@H]42)c1 ZINC000105488879 IE Annotated Mild OC[C@H](O)[C@@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000105488981 IE Annotated Anodyne OC[C@H](O)[C@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000105488985 IE Annotated Anodyne COC(=O)C1=C[C@H]2C[C@H]1[C@H](S(=O)(=O)c1ccccc1)[C@H]2S(=O)(=O)c1ccccc1 ZINC000105502990 IE Annotated Anodyne Cc1ccccc1N1C(=O)[C@@H]2C=C[C@@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C[C@H]2C1=O ZINC000105507448 IE Annotated Anodyne Cc1ccccc1N1C(=O)[C@@H]2C=C[C@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C[C@H]2C1=O ZINC000105507450 IE Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)[C@@H]23)OCO4)cc(OC)c1OC ZINC000105517541 IE Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(CCCN5CCOCC5)C(=O)[C@H]24)O3)cc1 ZINC000107369386 IE Annotated Anodyne O=C(C[C@@H]1C/C=C/CCCC(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000108515978 IE Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H]1OC(=O)C(=N\Nc2ccccc2)/C1=N/Nc1ccccc1 ZINC000109021667 IE Annotated Mild COc1ccc([C@@H]2[C@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000110766586 IE Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000110766589 IE Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000110766593 IE Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000110766596 IE Annotated Anodyne C=CCOc1cccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000110808814 IE Annotated Mild C=CCOc1cccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000110808818 IE Annotated Mild Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCNCC4)nc3[nH]2)ccc1C#N ZINC000113146024 IE Annotated Mild Cc1nc(-n2cnn(Cc3ccc(F)cc3)c2=O)sc1C(=O)NCc1nccs1 ZINC000113375535 IE Annotated Anodyne Cc1cnc(CNC(=O)c2sc(-n3cnn(Cc4ccc(F)cc4)c3=O)nc2C)cn1 ZINC000113381465 IE Annotated Anodyne CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 ZINC000113482788 IE Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCCC5)C4)c3C2)cc1C#N ZINC000113566935 IE Annotated Mild COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)c5cocn5)C4)c3C2)cc1C ZINC000113567022 IE Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cocn5)C4)c3C2)cc1C ZINC000113567731 IE Annotated Anodyne COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)c5cnco5)C4)c3C2)cc1C ZINC000113570586 IE Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccon5)C4)c3C2)cc1C ZINC000113582285 IE Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccno5)C4)c3C2)cc1C ZINC000113583769 IE Annotated Anodyne COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnco5)C4)c3C2)cc1C ZINC000113749630 IE Annotated Anodyne Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)n(C)n1 ZINC000114179918 IE Annotated Anodyne Cc1cnc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)cn1 ZINC000114181257 IE Annotated Anodyne Cc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)o1 ZINC000114181332 IE Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cncs3)n[nH]c2C1(C)C ZINC000114182281 IE Annotated Anodyne Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)nn1C ZINC000114182406 IE Annotated Anodyne CCc1ocnc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)C2(C)C ZINC000114182430 IE Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cscn3)n[nH]c2C1(C)C ZINC000114183071 IE Annotated Anodyne C[C@H]1CN(C)[C@H](C)CN1C(=O)N1Cc2c(NC(=O)c3ccc(C#N)cn3)n[nH]c2C1(C)C ZINC000114183141 IE Annotated Anodyne Cc1ccc(NC(=O)[C@H](CCO)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1 ZINC000114685878 IE Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCNC(=O)C4)CC3)cc12 ZINC000114710999 IE Annotated Anodyne O=C1CCC2(/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c3ccc(O)c2c3)CC1 ZINC000011524391 IE Annotated Anodyne O=C1CC[C@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@@H]3C1 ZINC000011524408 IE Annotated Anodyne COCCCNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 ZINC000011524590 IE Annotated Anodyne O=C1O[C@@H](CNC(=O)C(F)(F)F)CN1c1ccc(C2CCS(=O)(=O)CC2)c(F)c1 ZINC000011524793 IE Annotated Anodyne CC#CCn1c(N2CCC[C@H](N)C2)nc2cnn(Cc3nc(C)cc4ccccc34)c(=O)c21 ZINC000011686859 IE Annotated Mild Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc12 ZINC000011726470 IE Annotated Anodyne Cc1ccnn1CCC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000011775495 IE Annotated Anodyne Cc1ccnn1CCC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000011775503 IE Annotated Anodyne CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000011817999 IE Annotated Anodyne CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000011818000 IE Annotated Anodyne Cc1nnc(SCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)s1 ZINC000011932696 IE Annotated Anodyne Cc1nnc(SCC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)s1 ZINC000011932697 IE Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC[C@@H](CNC(=O)c3ccn(C)n3)O2)CC1 ZINC000011979796 IE Annotated Anodyne COc1cccc(OC)c1CN1CCC2(CC[C@H](CNC(=O)c3ccn(C)n3)O2)CC1 ZINC000011979809 IE Annotated Anodyne CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(N(C)C)c1)C2 ZINC000011981284 IE Annotated Anodyne COC(=O)N[C@@H](C)CNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12 ZINC000115125299 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(OC[C@@H]4CCCO4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115619576 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(OC[C@H]4CCCO4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115619578 IE Annotated Anodyne C[C@H]1CN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)cc2)C[C@@H](C)O1 ZINC000115622409 IE Annotated Anodyne CC(C)Nc1nc(-c2ccc(NC[C@@H](C)O)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115622540 IE Annotated Anodyne C[C@@H]1CN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)cc2)CCO1 ZINC000115622569 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCn3ccnc3)c2c1=O ZINC000115622786 IE Annotated Anodyne CC(C)Nc1nc(-c2ccc(N[C@@H](C)CO)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115622910 IE Annotated Anodyne COCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O ZINC000115623906 IE Annotated Anodyne COCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1S(C)(=O)=O ZINC000115623979 IE Annotated Anodyne CCNc1nc(-c2ccc(S(=O)(=O)CCN3CCCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624081 IE Annotated Anodyne CCN1CCN(C(=O)Cc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1 ZINC000115624238 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3cc(C(=O)O)ccn3)c2c1=O ZINC000115624240 IE Annotated Anodyne CC(C)N1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@H](C)CO)n3)cc2)CC1 ZINC000115624611 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CN4CCC3CC4)c2c1=O ZINC000115624648 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CN4CCC3CC4)c2c1=O ZINC000115624650 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCC[C@H](CO)C3)c2c1=O ZINC000115624728 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@H](CCO)C3)c2c1=O ZINC000115624822 IE Annotated Anodyne Cn1cnc2cc(-c3ccc([C@@H](O)C(F)(F)F)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624878 IE Annotated Anodyne Cn1cnc2cc(-c3ccc([C@H](O)C(F)(F)F)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624880 IE Annotated Anodyne CC(C)Nc1nc(-c2ccc(S(=O)(=O)CCN(C)C)cc2)cc2ncn(C)c(=O)c12 ZINC000115625067 IE Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC[C@@H]4CCOC4)n3)cc2)CC1 ZINC000115625236 IE Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC[C@H]4CCOC4)n3)cc2)CC1 ZINC000115625238 IE Annotated Anodyne COC[C@H]1CCN(c2nc(-c3ccc(N4CCN(C)CC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000115625515 IE Annotated Anodyne CC(C)Nc1nc(-c2ccc(N[C@H](C)CO)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115625645 IE Annotated Anodyne CO/N=C1/CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3ncn(C)c(=O)c23)C1 ZINC000115625704 IE Annotated Mild Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3cn[nH]c3)c2c1=O ZINC000115626381 IE Annotated Anodyne CC(C)Nc1nc(-c2ccc(NC[C@H](C)O)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115626514 IE Annotated Anodyne C[C@@H]1CN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CCO)C4)n3)cc2)CCO1 ZINC000115626556 IE Annotated Anodyne CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2)CC1 ZINC000115626700 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCC[C@@H](CO)C3)c2c1=O ZINC000115626732 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCc3c[nH]cn3)c2c1=O ZINC000115627827 IE Annotated Anodyne CC(C)c1cc(-c2nnc(O)n2-c2ccc(OCCN3CCOCC3)nc2)c(O)cc1O ZINC000115808725 IE Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCC5(O)CCOCC5)[nH]c4C)ccc3[nH]2)n1 ZINC000115834449 IE Annotated Anodyne CC(C)[C@H]1CN(C2CNC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116185051 IE Annotated Anodyne CC(C)[C@H]1CN(CCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116185290 IE Annotated Anodyne CN1CCN(c2cc(F)c3c(c2)nc(Cc2ccc4c(c2)OCO4)n2nc(N)nc32)CC1 ZINC000116236752 IE Annotated Anodyne Cc1ccc(C(=O)N2CC[C@H]3CN(c4nccc(C(F)(F)F)n4)[C@H]3C2)c(-n2ccnn2)n1 ZINC000116828703 IE Annotated Anodyne Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000116910536 IE Annotated Anodyne Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000116910539 IE Annotated Anodyne OCC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000116911180 IE Annotated Anodyne OCC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000116911182 IE Annotated Anodyne CC(C)(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(C(=N)N)cc3F)C2=O)cc1 ZINC000117616310 IE Annotated Anodyne CON(C)C(=O)[C@@H]1C[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 ZINC000117687506 IE Annotated Anodyne O=C(Nc1nc2cccc(-c3ccc(CN[C@@H]4CCS(=O)(=O)C4)cc3)n2n1)C1CC1 ZINC000118392743 IE Annotated Anodyne O=C(Nc1nc2cccc(-c3ccc(CN[C@H]4CCS(=O)(=O)C4)cc3)n2n1)C1CC1 ZINC000118392747 IE Annotated Anodyne CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1 ZINC000118546501 IE Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CC2=CSC3=NCCN23)CC1 ZINC000012028533 IE Annotated Anodyne CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CC2=CSC3=NCCN23)CC1 ZINC000012028540 IE Annotated Anodyne Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1cnsn1)C2 ZINC000012079449 IE Annotated Anodyne O=C1CN(S(=O)(=O)CCc2ccc(Cl)s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000012354957 IE Annotated Anodyne COc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1OC ZINC000012466134 IE Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1OC ZINC000012466140 IE Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000012467211 IE Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 ZINC000012467313 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 ZINC000012469487 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 ZINC000012469490 IE Annotated Anodyne Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1 ZINC000012470236 IE Annotated Mild Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1 ZINC000012470241 IE Annotated Mild COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000012480035 IE Annotated Anodyne Cc1cc(C)cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]4C2=O)c1 ZINC000012645226 IE Annotated Anodyne Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]4C2=O)c1 ZINC000012645229 IE Annotated Anodyne NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)CC1 ZINC000012705780 IE Annotated Anodyne Cc1ccn(CCC(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 ZINC000012718453 IE Annotated Anodyne Cc1ccn(CCC(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 ZINC000012718454 IE Annotated Anodyne Cc1cc(C)cc(SCc2noc(C(=O)NCCN(C)C)c2C(=O)NCCN(C)C)c1 ZINC000012726148 IE Annotated Anodyne CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C(/N)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000013110786 IE Annotated Reactive CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C(/N)N1CCN(c2c(C)cccc2C)CC1 ZINC000013110920 IE Annotated Reactive CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO ZINC000013118544 IE Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO ZINC000013118595 IE Annotated Anodyne O=C(C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1)N1CCOCC1 ZINC000013118604 IE Annotated Anodyne O=C(C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1)N1CCOCC1 ZINC000013118621 IE Annotated Anodyne CNC(=O)N(O)[C@@H]1N(N/C=C2\C=C(Br)C=CC2=O)C(=S)SC1(C)C ZINC000013120145 IE Annotated Mild CNC(=O)N(O)[C@H]1N(N/C=C2\C=C(Br)C=CC2=O)C(=S)SC1(C)C ZINC000013120147 IE Annotated Mild COC1=CC=C/C(=C\NNC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F)C1=O ZINC000013120215 IE Annotated Reactive C/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1N/C=C1\C=CC(=O)C(OC)=C1 ZINC000013120433 IE Annotated Mild N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2coc3cc(O)ccc23)CC1 ZINC000013121208 IE Annotated Mild COC1=C/C(=C/NNc2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)C=CC1=O ZINC000013122686 IE Annotated Mild O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000013123243 IE Annotated Reactive O=C1C(Br)=CC(=CNNC(=S)NC[C@@H]2CCCO2)C=C1Br ZINC000013123387 IE Annotated Mild O=C1C(Br)=CC(=CNNC(=S)NC[C@H]2CCCO2)C=C1Br ZINC000013123388 IE Annotated Mild O=C1C([N+](=O)[O-])=CC(Cl)=C/C1=C\NNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000013125724 IE Annotated Reactive CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(C)cc3)[C@@H]4C2=O)CC1 ZINC000013131216 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C)cc3)[C@@H]4C2=O)CC1 ZINC000013131218 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N([C@H](C(=O)OC)C(C)C)C[C@]34C=C[C@H]2O4)cc1 ZINC000013132082 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N([C@H](C(=O)OC)C(C)C)C[C@]34C=C[C@H]2O4)cc1 ZINC000013132083 IE Annotated Anodyne CC(C)(C)NC(=O)CCN(/N=C\c1ccc([N+](=O)[O-])o1)C1=NS(=O)(=O)c2ccccc21 ZINC000013139469 IE Annotated Mild CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCCN4CCOCC4)C[C@]34C=C[C@H]2O4)cc1 ZINC000013147345 IE Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCCN4CCOCC4)C[C@]34C=C[C@H]2O4)cc1 ZINC000013147346 IE Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)[C@@H]1C ZINC000013149832 IE Annotated Anodyne CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)N[C@@H](C)CC)cc3)c(=O)c2=O)CC1 ZINC000013150456 IE Annotated Anodyne CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)N[C@H](C)CC)cc3)c(=O)c2=O)CC1 ZINC000013150458 IE Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013152414 IE Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013152415 IE Annotated Anodyne COc1nc(N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc(N2CCOCC2)n1 ZINC000013152432 IE Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@H]3C4)cc2)n1 ZINC000013153608 IE Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\NC2=NC(=O)[C@H](CC(=O)O)S2)cc1 ZINC000013153959 IE Annotated Mild O=C(O)C[C@@H](OC(=O)c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1)C(=O)O ZINC000013340198 IE Annotated Clean in-vitro biogenic C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O ZINC000013367794 IE Annotated Anodyne COC(=O)[C@]1(Cc2ccc(O)c(C[C@H]3OC3(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000013380601 IE Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(O)c(C[C@@H]3OC3(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000013380602 IE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)N(C(C)=O)c5cc(OC)ccc54)[C@@H]3C[C@H]12 ZINC000013380871 IE Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000013383243 IE Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@H]2C[N+]3([O-])CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000013383247 IE Annotated Bother COc1cc(C(=O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO)cc(OC)c1O ZINC000013398337 IE Annotated Anodyne in-vitro CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](OS(=O)(=O)O)Cc3cc4c(cc3[C@@H]12)OCO4 ZINC000013408851 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3OC ZINC000013430435 IE Annotated Anodyne COC(=O)CCCNC(=O)NCc1cc(O)c(O)c(Br)c1Br ZINC000013450081 IE Annotated Clean O=C1NC[C@@H](COc2c(Br)cc([C@@H]3CNC(=O)O3)cc2Br)O1 ZINC000013450700 IE Annotated Anodyne O=C1NC[C@H](COc2c(Br)cc([C@@H]3CNC(=O)O3)cc2Br)O1 ZINC000013450705 IE Annotated Anodyne O=C1NC[C@H](c2cc(Br)c(OC[C@H]3CNC(=O)O3)c(Br)c2)O1 ZINC000013450714 IE Annotated Anodyne COc1cc([C@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2CO)cc(OC)c1OC ZINC000013461610 IE Annotated Anodyne COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2CO)cc(OC)c1OC ZINC000013461612 IE Annotated Anodyne COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2CO)cc2c1OCO2 ZINC000013461616 IE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000013468360 IE Annotated Anodyne OC[C@@H]1COc2c(cc(Cl)cc2N2CCN([C@@H]3Cc4cc(F)ccc4[C@H]3O)CC2)O1 ZINC000013471817 IE Annotated Anodyne OC[C@H]1COc2c(cc(Cl)cc2N2CCN([C@@H]3Cc4cc(F)ccc4[C@H]3O)CC2)O1 ZINC000013471819 IE Annotated Anodyne CCCCn1c(=O)c2cn(S(=O)(=O)c3ccccc3C#N)nc2n(CCCC)c1=O ZINC000013473885 IE Annotated Mild O=C(CCN1CCOCC1)N/N=C/c1cc(Br)cc(Br)c1O ZINC000013476624 IE Annotated Reactive CCCCCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1 ZINC000013478641 IE Annotated Mild CCCCCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1 ZINC000013478644 IE Annotated Mild Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc3cccnc23)c1 ZINC000013489455 IE Annotated Mild Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc3c2NCCC3)c1 ZINC000013489457 IE Annotated Mild CC(=O)N1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C ZINC000013489672 IE Annotated Anodyne COC1=C(OC)/C(=C/[C@@H](n2cnc3c(Cl)ncnc32)P(=O)(OC)OC)OC1=O ZINC000013490670 IE Annotated Anodyne COC1=C(OC)/C(=C/[C@H](n2cnc3c(Cl)ncnc32)P(=O)(OC)OC)OC1=O ZINC000013490671 IE Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3cccnc3s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000013493289 IE Annotated Anodyne O=C1CN(S(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cnccc2[nH]1 ZINC000013493291 IE Annotated Anodyne COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCNC(C)=O)(C2)[C@H]13 ZINC000013522299 IE Annotated Anodyne in-vivo O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccc(F)c(F)c1)C(=O)O)c1ccc(F)c(F)c1 ZINC000013556387 IE Annotated Anodyne CNC(=S)NS(=O)(=O)c1cccc(CCNC(=O)c2cc(Cl)ccc2OC)c1 ZINC000013558417 IE Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCCCC(=O)N1 ZINC000013559800 IE Annotated Anodyne Nc1nc2nn(-c3cccc(C(=O)NCc4cc(Cl)cc(Cl)c4)c3)nc2c(=O)[nH]1 ZINC000013559919 IE Annotated Anodyne in-vivo CN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000013580027 IE Annotated Anodyne CN1CC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000013580029 IE Annotated Anodyne O=C1CNCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000013580033 IE Annotated Mild O=C1CNCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000013580035 IE Annotated Mild COCCOc1nc(N2CCCCC2)c2nc(OCCOC)nc(N3CCCCC3)c2n1 ZINC000013583351 IE Annotated Anodyne Cc1cc2nc([C@@H](O)[C@@H](CCc3ccccc3)NC[C@@H](O)[C@H](N)CCCN)oc2cc1C ZINC000013587021 IE Annotated Anodyne Cc1cc2nc([C@H](O)[C@@H](CCc3ccccc3)NC[C@@H](O)[C@H](N)CCCN)oc2cc1C ZINC000013587022 IE Annotated Anodyne Cc1cc2nc([C@@H](O)[C@@H](CCc3ccccc3)NC[C@H](O)[C@H](N)CCCN)oc2cc1C ZINC000013587023 IE Annotated Anodyne Cc1cc2nc([C@H](O)[C@@H](CCc3ccccc3)NC[C@H](O)[C@H](N)CCCN)oc2cc1C ZINC000013587024 IE Annotated Anodyne O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCCc1cn[nH]c1 ZINC000013594842 IE Annotated Anodyne O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCCc1cn[nH]c1 ZINC000013594844 IE Annotated Anodyne COc1cc(-c2csc(-n3ncc(C(=O)NCCCO)c3C)n2)cc(OC)c1OC ZINC000013602524 IE Annotated Anodyne COc1ccc(Cn2cc3c(c2CN2CCOCC2)c(=O)n(C)c(=O)n3CC(C)C)cc1 ZINC000013603347 IE 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@@H]3CCOC3)C[C@]21C ZINC000013607533 IE 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@H]3CCOC3)C[C@]21C ZINC000013607535 IE Annotated Anodyne O=C1O[C@@H](Cn2cc(Cl)nn2)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 ZINC000013607982 IE Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](c3coc4ccccc4c3=O)C[C@@H](OCCCCO)O2)CC1 ZINC000013635020 IE Annotated Anodyne CC1=CC=CN2C(=O)C(=C\c3sc(S)nc3O)/C(=N/CCCN3CCOCC3)N=C12 ZINC000013638973 IE Annotated Mild O=C(O)[C@H]1NCCN(C(=O)c2ccc(-c3ccccc3Br)cc2)[C@H]1C(=O)O ZINC000013642329 IE Annotated Anodyne C[C@@H]1CN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 ZINC000013649661 IE Annotated Anodyne C[C@H]1CN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 ZINC000013649663 IE Annotated Anodyne CN(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(O)c3cc([N+](=O)[O-])ccc3nc12 ZINC000013652294 IE Annotated Bother CN1CCN(C(=O)C2=C[C@H](c3coc4ccccc4c3=O)C[C@H](OCCCCO)O2)CC1 ZINC000013656882 IE Annotated Anodyne COc1ccc(CC2(CO)CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cc1 ZINC000013659396 IE Annotated Anodyne CCc1cc(Nc2cc(=O)n(CCCCOC(=O)N3CCOCC3)c(=O)[nH]2)ccc1C ZINC000013674984 IE Annotated Anodyne C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000013704321 IE Annotated Mild CC(C)[C@@H](NC(=O)CN1CCc2c([nH]c3c(C(=O)O)cccc23)C1=O)C(=O)C(F)(F)F ZINC000013740124 IE Annotated Anodyne CC(C)[C@H](NC(=O)CN1CCc2c([nH]c3c(C(=O)O)cccc23)C1=O)C(=O)C(F)(F)F ZINC000013740125 IE Annotated Anodyne O=c1[nH]c(=O)n(COCCO)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2 ZINC000013741659 IE Annotated Bother O=c1[nH]c(=O)n(COCCO)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2 ZINC000013741660 IE Annotated Bother O=C(NCC(=O)N1[C@H](C(=O)O)CC[C@@H]1c1cccc(O)c1)[C@@H](S)Cc1ccccc1 ZINC000013756714 IE Annotated Mild Cc1cccc([C@H]2CC[C@@H](C(=O)O)N2C(=O)CNC(=O)[C@@H](S)Cc2ccc(O)cc2)c1 ZINC000013756728 IE Annotated Mild Cc1ccc([C@H]2CC[C@@H](C(=O)O)N2C(=O)CNC(=O)[C@@H](S)Cc2ccc(O)cc2)cc1 ZINC000013756743 IE Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO ZINC000013762200 IE Annotated Anodyne O=S1(=O)c2ccccc2NC2=NC[C@@H](CN3CCN(c4ccccc4Cl)CC3)N21 ZINC000013780704 IE Annotated Anodyne O=S1(=O)c2ccccc2NC2=NC[C@H](CN3CCN(c4ccccc4Cl)CC3)N21 ZINC000013780705 IE Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000013781876 IE Annotated Reactive C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000013781877 IE Annotated Reactive COC(=O)CC[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC(=O)[C@@H]21 ZINC000013781914 IE Annotated Anodyne COC(=O)CC[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@@]4(OCO[C@]45COCO5)[C@@]3(C)CC(=O)[C@@H]21 ZINC000013781915 IE Annotated Anodyne O=C1CN(c2nc(N3CCCC3)c3nc(Cl)c(NCc4ccccc4)nc3n2)CCN1 ZINC000013782037 IE Annotated Anodyne COC(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 ZINC000013803052 IE Annotated Anodyne O=C(O)C[C@H](C#Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000013803101 IE Annotated Mild O=C(O)C[C@@H](C#Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000013803103 IE Annotated Mild C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1S(=O)(=O)c1cccc2ccccc12 ZINC000013804090 IE Annotated Anodyne CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 ZINC000013808779 IE Annotated Anodyne CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC ZINC000013814388 IE Annotated Anodyne C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(C(CO)CO)C=C2C1=O ZINC000013816949 IE Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(C(CO)CO)C=C2C1=O ZINC000013816952 IE Annotated Mild CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCc3ccccn3)cn2)CC1 ZINC000013818458 IE Annotated Anodyne C=C(C)[C@@H]1Cc2oc(cc2C(=O)OC)[C@@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@@H](OC(C)=O)C1 ZINC000013822102 IE Annotated Mild CCCc1c(COc2ccc(Cc3nnn(Cc4nnn[nH]4)n3)cc2)ccc(C(C)=O)c1O ZINC000013824188 IE Annotated Anodyne C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013857697 IE Annotated Anodyne C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013857698 IE Annotated Anodyne C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013857699 IE Annotated Anodyne COC(=O)CCC(=O)Nc1ccc(NC(=O)[C@@H](N)CS)cc1C(=O)c1ccccc1 ZINC000013863772 IE Annotated Mild COC(=O)CCCC(=O)Nc1ccc(NC(=O)[C@@H](N)CS)cc1C(=O)c1ccccc1 ZINC000013863774 IE Annotated Mild COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO)[C@@H]2CO)cc(OC)c1O ZINC000013891773 IE Annotated Anodyne in-vitro biogenic O=C(O)c1cn2c3c(c(N4CCN(c5ccccn5)CC4)c(F)cc3c1=O)OC[C@@H]2CF ZINC000013913142 IE Annotated Anodyne N#C[C@@]1(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCCC2)CCN(CC2CC2)C1 ZINC000013918411 IE Annotated Mild CN1C(=O)C[C@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)N(C)C1=O ZINC000013978736 IE Annotated Anodyne O=C1c2c(O)c(Cl)cc3c2[C@@]2(Oc4cc(Cl)c(O)c5c4[C@]3(O2)[C@@H]2O[C@@H]2[C@H]5O)[C@@H]2O[C@H]12 ZINC000135882254 IE Annotated Anodyne CC(=O)OCC1=C[C@H](O)[C@@]2([C@@H](O)/C=C(C)/C=C/C=C(\C)CC/C=C(/C)CO)O[C@H]2C1=O ZINC000136119202 IE Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H]2C(=O)c3ccoc3C[C@@H]2[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000136198933 IE Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000136392726 IE Annotated Anodyne C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@H]1[C@@H]1C(OC)(OC)C(=O)C(OC)=C[C@@]12CC=C ZINC000136448559 IE Annotated Mild CC(=O)OCC1=C[C@H](O)[C@@]2([C@@H](O)/C=C(C)/C=C/C=C(\C)CC[C@H]3OC3(C)C)O[C@H]2C1=O ZINC000136671852 IE Annotated Mild O=C1N/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc(cc2)/C=N/NC1=O ZINC000136680826 IE Annotated Anodyne CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@H](N)[C@H](c4cc(F)c(F)cc4F)C3)n2)c1 ZINC000136963349 IE Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000137285746 IE Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C ZINC000137285786 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000137289943 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000137290002 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@H]1C ZINC000137294614 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H]1C ZINC000137294669 IE Annotated Anodyne CO[C@H]1COC(=O)[C@H](C)COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000137294951 IE Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@@H]1C ZINC000137294984 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C/[C@H]1C ZINC000137295933 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@H]1C ZINC000137295968 IE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C(=O)N4C[C@@H](CCC5=C2[C@@H]1CC5)[C@]3(COC(C)=O)CC[C@@H](O)[C@H](C)C4 ZINC000137804438 IE Annotated Anodyne C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C(NCCS(=O)(=O)O)=CC3=O ZINC000137994971 IE Annotated Mild 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 ZINC000138390116 IE Annotated Mild 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 ZINC000138390229 IE Annotated Mild COc1ccc(CO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000138432466 IE Annotated Anodyne COCCOc1cnc2ccn([C@H](C)c3nnc4ccc(-c5cnn(C)c5)cn34)c(=O)c2c1 ZINC000139738992 IE Annotated Anodyne CN([C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1)S(C)(=O)=O ZINC000139818742 IE Annotated Anodyne CN([C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1)S(C)(=O)=O ZINC000139818865 IE Annotated Anodyne Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N2CCOCC2)nn1CCO ZINC000139981973 IE Annotated Anodyne O=C1CC[C@]23/C=C/C(=O)NCCCCN4CCCN(C4)C(=O)/C=C/c4ccc(c2c4)O[C@@H]3C1 ZINC000014416621 IE Annotated Anodyne COc1c(O)cc(C(=O)O[C@@H]2CCN3C[C@@H]4C[C@@H](CN5C(=O)CCC[C@H]45)[C@@H]3C2)cc1O ZINC000014487441 IE Annotated Anodyne 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 ZINC000140188571 IE Annotated Anodyne biogenic CC1=CCC[C@]2(C)C1=COC(=O)c1cc3c(cc12)C(=O)C1=C(C3=O)S(=O)(=O)CCN1 ZINC000140552091 IE Annotated Mild CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(Cl)s3)C2)nc(OC)c1F ZINC000140583596 IE Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@H](C)C(=O)[C@@H](C)C3=O)cc2)nc(C)n1 ZINC000141068242 IE Annotated Mild Cc1cc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@@H](C)C(=O)[C@@H](C)C3=O)cc2)nc(C)n1 ZINC000141068394 IE Annotated Mild CC(=O)O[C@@H]1C[C@@]23CC(=O)O[C@@H](C[C@H]2C)[C@]3(O)[C@](C)(COC(=O)c2ccccc2)[C@@]1(C)O ZINC000141321472 IE Annotated Anodyne C/C1=C\C=C/C=C/[C@H](C)CNC(=O)CC(=O)C[C@@H]2O[C@H]3[C@@H](O)C[C@@H](O)[C@H]4C=C[C@@H]1[C@H]2[C@H]43 ZINC000141879131 IE Annotated Anodyne COc1cc(-c2cc3c(ccc[n+]3[O-])c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC ZINC000141893652 IE Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3c(cc4c(C5CC5)noc4c3Cl)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000142110020 IE Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccco1 ZINC000142116405 IE Annotated Mild Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2cccs2)c1 ZINC000142141413 IE Annotated Mild CCCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000142513756 IE Annotated Reactive CCCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1O ZINC000142592960 IE Annotated Reactive CS(=O)(=O)n1cc2c(n1)CN([C@H]1CCS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000142726491 IE Annotated Anodyne Cc1cccnc1N1CCN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1 ZINC000142841266 IE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(NCC3CCOCC3)ccc1-2 ZINC000142910137 IE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCC3CCOCC3)ccc1-2 ZINC000142915572 IE Annotated Anodyne Cc1cc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)on1 ZINC000142916448 IE Annotated Anodyne Cc1cc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)on1 ZINC000142916643 IE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COCC3CCOCC3)ccc1-2 ZINC000142916872 IE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CCC3(O)CCCC3)ccc1-2 ZINC000142920980 IE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(CCC3(O)CCCC3)ccc1-2 ZINC000142921454 IE Annotated Anodyne COCCOc1cc(C(=O)O)nc2c(-c3cc(O)cc(F)c3)nc(N3CCOCC3)nc12 ZINC000143030257 IE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CC[C@H](O)c3cccnc3)ccc1-2 ZINC000143036400 IE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CC[C@@H](O)c3cccnc3)ccc1-2 ZINC000143036617 IE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(CC[C@H](O)c3cccnc3)ccc1-2 ZINC000143036813 IE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(CC[C@@H](O)c3cccnc3)ccc1-2 ZINC000143037016 IE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OC[C@@H]3CCCCO3)ccc1-2 ZINC000143043245 IE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OC[C@H]3CCCCO3)ccc1-2 ZINC000143043445 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@@H](CO)C3)c2c1=O ZINC000143128130 IE Annotated Anodyne COc1cc([C@@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](CO)[C@H]2CO)cc(OC)c1O ZINC000143158334 IE Annotated Anodyne C=CC[C@]12C=C(OC)C(=O)C(OC)(OC)[C@H]1[C@H]1C(/C=C/C)=C[C@]2(OC)C(=O)C1(OC)OC ZINC000143168446 IE Annotated Mild Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3C[C@]4(CO)CC[C@H]3C4)c2c1=O ZINC000143249038 IE Annotated Anodyne COC(=O)C1=CN([C@H](C)C(=O)O)[C@H]2OC[C@H]3[C@@H]2[C@@H]1C[C@H]1c2[nH]c4ccccc4c2CCN13 ZINC000143267520 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CC[C@@H](CO)C3)c2c1=O ZINC000143354398 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@H](CO)C3)c2c1=O ZINC000143435778 IE Annotated Anodyne CO[C@H]1CC[C@@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(Cc2ncccn2)C3=O)C[C@@H]1C ZINC000143438614 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CC[C@H](CO)C3)c2c1=O ZINC000143439782 IE Annotated Anodyne CO[C@H]1CC[C@@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(Cc2ccncn2)C3=O)C[C@@H]1C ZINC000143444527 IE Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCC[C@@H]4CO)n3)cc2)CC1 ZINC000143445007 IE Annotated Anodyne CC(C)(C)c1csc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)n1 ZINC000143562617 IE Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(-n2ccnc2C)n1 ZINC000143608752 IE Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(N4CCC[C@@H](O)C4)s3)nc12 ZINC000143725691 IE Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(N4CCC[C@H](O)C4)s3)nc12 ZINC000143725894 IE Annotated Anodyne CN1CCN(/C=C2\N=C3CN=C(c4ccccc4F)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1 ZINC000143788565 IE Annotated Bother Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccoc1 ZINC000143844554 IE Annotated Mild NC(=O)n1cc(NC(=O)N2C[C@@H](N)C[C@H]2C(=O)NC2(c3ccccc3)CC2)c2ccccc21 ZINC000143889762 IE Annotated Anodyne C[C@H]1COCCN1c1nc(N2CCOCC2)nc2[nH]c(-c3cc(CO)ccc3Cl)nc12 ZINC000144004633 IE Annotated Anodyne Cc1ncccc1N1CCN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1 ZINC000144105852 IE Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCNCC3)nn2)cc1 ZINC000144117237 IE Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CCO[C@@H]1c1cc(F)ccc1F ZINC000144195483 IE Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4C[C@H](O)[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]41C ZINC000144222336 IE Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CS(=O)(=O)C(=O)N1O)C2 ZINC000144499603 IE Annotated Anodyne CN(C)C(=O)COC1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144715122 IE Annotated Anodyne CN(C)C(=O)COC1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144715318 IE Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@H]4CCC[C@@H]4CO)n3)cc2)CC1 ZINC000144801296 IE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(O[C@@H]3CC[C@H](N)CC3)c2c1=O ZINC000144804847 IE Annotated Anodyne NC(=O)COC1CN(C(=O)c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144813716 IE Annotated Anodyne NC(=O)COC1CN(C(=O)c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144813918 IE Annotated Anodyne NC(=O)COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144862654 IE Annotated Anodyne NC(=O)COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144862868 IE Annotated Anodyne COc1cc([C@H]2OC[C@]3(O)[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc(OC)c1O ZINC000014510234 IE Annotated Anodyne CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cc3ncccn3n1)CC2 ZINC000014533762 IE Annotated Anodyne CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1cc3ncccn3n1)CC2 ZINC000014535312 IE Annotated Anodyne C=CC[C@]12C=C(OC)C(=O)C(OC)(OC)[C@H]1[C@@H]1C(/C=C/C)=C[C@@]2(OC)C(=O)C1(OC)OC ZINC000014557706 IE Annotated Mild COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@@H]3C[C@H]12 ZINC000014585356 IE Annotated Anodyne COc1ccc([C@H](O)c2nc(/N=C3\NC(=O)N(C)C3=O)n(C)c2Cc2ccc(O)cc2)cc1 ZINC000014611948 IE Annotated Mild CNCCc1cc2c(c(OC)c1CC(=O)c1ccc(OC)c(OC)c1C(=O)O)OCO2 ZINC000014612405 IE Annotated Anodyne in-man endogenous CO[C@@H]1C=C(CO)[C@@H]2C1=C(COC(=O)CC(C)C)[C@H](OC)O[C@H]2OC(=O)CC(C)C ZINC000014637923 IE Annotated Anodyne in-vitro biogenic CO[C@H]1O[C@@H](OC(=O)CC(C)C)[C@@H]2C(CO)=C[C@@H](OC)C2=C1COC(=O)CC(C)C ZINC000014637925 IE Annotated Anodyne CO[C@H]1O[C@H](OC(=O)CC(C)C)[C@@H]2C(CO)=C[C@@H](OC)C2=C1COC(=O)CC(C)C ZINC000014637929 IE Annotated Anodyne in-vitro biogenic COc1cc(C)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(O)c1 ZINC000014681006 IE Annotated Anodyne in-man endogenous COc1cc(C)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(O)c1 ZINC000014681008 IE Annotated Anodyne in-man endogenous COc1cc(C)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(O)c1 ZINC000014681010 IE Annotated Anodyne in-man endogenous COc1cc(C)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(O)c1 ZINC000014681012 IE Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4C[C@@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 ZINC000014681114 IE Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4C[C@@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 ZINC000014681116 IE Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 ZINC000014681118 IE Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4C[C@@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 ZINC000014681120 IE Annotated Anodyne in-man endogenous O=C1Nc2ccccc2C(=O)n2cc(c3ccccc32)C[C@H]([N+](=O)[O-])C(=O)N2CCC[C@@H]12 ZINC000014682441 IE Annotated Mild C[C@H](O)[C@H]1C=CC2(OC3=C(c4ccc(O)cc4)C(=O)C(=O)C(c4ccc(O)cc4)=C3O2)O1 ZINC000014713776 IE Annotated Mild C[C@H]1OC2(C=C[C@@H]1O)OC1=C(c3ccc(O)cc3)C(=O)C(=O)C(c3ccc(O)cc3)=C1O2 ZINC000014713783 IE Annotated Mild C/C=C1\CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H](CO)[C@@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 ZINC000014718053 IE Annotated Anodyne CC(=O)c1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c(O)c(C(C)=O)c1O ZINC000014721974 IE Annotated Anodyne COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C=C(C(=O)O)[C@@H]2C(=O)O)cc(OC)c1O ZINC000014766502 IE Annotated Anodyne C/C(=C\COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1)C1=CC(=O)C(C)(C)O1 ZINC000014769734 IE Annotated Mild C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 ZINC000014812218 IE Annotated Mild in-vitro biogenic CC(C)C[C@H](N)C(=O)N/C(=C\c1ccc(O)c(O)c1)C(=O)N/C=C/c1ccc(O)c(O)c1 ZINC000014824586 IE Annotated Clean C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@@H]1[C@H]1C(OC)(OC)C(=O)C(OC)=C[C@@]12CC=C ZINC000014856786 IE Annotated Mild C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@@H]1[C@H]1C(OC)(OC)C(=O)C(OC)=C[C@]12CC=C ZINC000014856788 IE Annotated Mild C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@@H]1[C@@H]1C(OC)(OC)C(=O)C(OC)=C[C@@]12CC=C ZINC000014856790 IE Annotated Mild C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@@H]1[C@@H]1C(OC)(OC)C(=O)C(OC)=C[C@]12CC=C ZINC000014856792 IE Annotated Mild CN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3F)CC2)(c2cccc(F)c2)C1=O ZINC000014882656 IE Annotated Anodyne CN1C(=O)C[C@](CC(=O)N2CCN(c3ccccc3F)CC2)(c2cccc(F)c2)C1=O ZINC000014882657 IE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000014919979 IE Annotated Anodyne COc1cc(C(=O)[C@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO)cc(OC)c1O ZINC000014927255 IE Annotated Anodyne in-vitro biogenic CCCCNS(=O)(=O)c1ccc(-n2nc(C(=O)NC)c3ccc4[nH]ncc4c32)cc1 ZINC000014945842 IE Annotated Anodyne O=C(O)c1cc(/C=N/c2ccc(S(=O)(=O)N[C@@H]3NC=CS3)cc2)c2c(c1)COCO2 ZINC000014949035 IE Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3OC ZINC000014952357 IE Annotated Anodyne O=c1[nH]ccc2c(S(=O)(=O)N[C@@H]3CN[C@H](COCc4ccc(Cl)cc4)C3)cccc12 ZINC000014958090 IE Annotated Anodyne CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)n2)c1 ZINC000014958763 IE Annotated Anodyne NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N(CC(=O)O)CC3CCCC3)cc12 ZINC000014960760 IE Annotated Mild O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCCNCCO)ccc2c1CCCC2 ZINC000014964458 IE Annotated Anodyne CN(CCO)C(=O)COc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966958 IE Annotated Anodyne CN(CCO)C(=O)COc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966962 IE Annotated Anodyne CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)C[C@@H](C)C(C)=O)CCO3)CC1 ZINC000014987539 IE Annotated Anodyne CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)C[C@H](C)C(C)=O)CCO3)CC1 ZINC000014987541 IE Annotated Anodyne C=CCN(CC(=O)O)C(=O)CCc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 ZINC000145953938 IE Annotated Mild C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)S[C@@H](CC(=O)O)C(=O)O ZINC000145981089 IE Annotated Anodyne C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)S[C@@H](CC(=O)O)C(=O)O ZINC000145981261 IE Annotated Anodyne O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000146226281 IE Annotated Anodyne CC(=O)N1Cc2ccc(N3CCC(Oc4nc(-c5ccncn5)cc(=O)n4C)CC3)cc2C1 ZINC000146501811 IE Annotated Clean Cn1c(OC2CCN(c3ccc4c(c3)COC(=O)N4)CC2)nc(-c2ccncn2)cc1=O ZINC000146618725 IE Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)NCCS(C)(=O)=O)CC2)ncc1Cl ZINC000146775432 IE Annotated Anodyne COc1c2n(c3ccccc13)[C@]1(O)C(=O)N(C)C(=O)[C@]1(O)c1c-2[nH]c2ccc(Cl)cc12 ZINC000147242548 IE Annotated Anodyne C[C@H](O)C(=O)[C@@H](C)C/C=C/[C@@H]1[C@@H]2O[C@]2(C)[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]21O ZINC000147283395 IE Annotated Anodyne CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(OC/C=C(\C)C(=O)O)cc2)(SC)C(=O)N1C ZINC000147344255 IE Annotated Anodyne Cc1[nH]c2cc([C@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn2c(=O)c1C ZINC000147353802 IE Annotated Anodyne Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn2c(=O)c1C ZINC000147403088 IE Annotated Anodyne C/C(=C\C=C\[C@H](C)/C=C/CC(C)C)[C@H]1[C@@H](O)C=C(CNCCS(=O)(=O)O)C(=O)[C@@H]1O ZINC000147979203 IE Annotated Mild O=C(N[C@@H]1CCOC1)c1ccc(F)c(Nc2ncnc3cnc(N[C@@H]4CCOC4)nc23)c1 ZINC000148268948 IE Annotated Anodyne O=C(N[C@@H]1CCOC1)c1ccc(F)c(Nc2ncnc3cnc(N[C@H]4CCOC4)nc23)c1 ZINC000148269154 IE Annotated Anodyne O=C(N[C@H]1CCOC1)c1ccc(F)c(Nc2ncnc3cnc(N[C@@H]4CCOC4)nc23)c1 ZINC000148269364 IE Annotated Anodyne O=C(N[C@H]1CCOC1)c1ccc(F)c(Nc2ncnc3cnc(N[C@H]4CCOC4)nc23)c1 ZINC000148269567 IE Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148330976 IE Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148351339 IE Annotated Mild CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)(C)C)c1=O ZINC000148569241 IE Annotated Anodyne Cc1ncnc(-c2ccc(C(=O)N3C[C@@H](O)CO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148573669 IE Annotated Mild Cc1ncnc(-c2ccc(C(=O)N3C[C@H](O)CO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148573832 IE Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@@H](O)CO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148671772 IE Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@H](O)CO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148671986 IE Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148694935 IE Annotated Mild CCc1ncnc(N2CCC3(CCN(C(=O)NC)CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149232004 IE Annotated Mild N#Cc1cn(C2=NCC(=O)N3CCc4c(I)cccc4C3=C2)cn1 ZINC000149240775 IE Annotated Mild O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 ZINC000149314447 IE Annotated Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 ZINC000149314668 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@@H](OC(C)=O)C[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000149380824 IE Annotated Mild CCc1ncnc(N2CCC3(CCN(C(=O)COC)CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149438450 IE Annotated Mild CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000149795980 IE Annotated Reactive C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1O ZINC000149807303 IE Annotated Reactive C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000149811617 IE Annotated Reactive COc1cc(-c2cnn(C)c2)cc2sc(Cc3nnc(CC(=O)NC4(C#N)CC4)o3)nc12 ZINC000149927380 IE Annotated Mild NCC(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000001538273 IE Annotated Anodyne O=S(=O)(N/N=C/c1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000001617218 IE Annotated Mild C#Cc1cccc(N2C(=O)[C@H]3C4C=CC([C@@H]5C(=O)N(c6cccc(C#C)c6)C(=O)[C@H]45)[C@H]3C2=O)c1 ZINC000001622918 IE Annotated Mild OC[C@H](O)[C@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000001622943 IE Annotated Anodyne CCOC(OCC)N1C(=O)[C@]2(C(OCC)OCC)C[C@@H]3[C@@H](OC(=O)N3N)c3cccc1c32 ZINC000001636360 IE Annotated Anodyne Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000001642583 IE Annotated Anodyne O=C1C(Br)=CC2(C=C1Br)CCNC1=C2C(=O)c2[nH]cnc2C1=O ZINC000001644216 IE Annotated Mild O=C(NNS(=O)(=O)c1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 ZINC000001647811 IE Annotated Reactive Cc1cc2c(c(C(=O)NCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCC(=O)O)S2 ZINC000001649652 IE Annotated Anodyne COc1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1 ZINC000001650957 IE Annotated Mild Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1 ZINC000001650970 IE Annotated Mild C=CCOc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](O)(OCC)[C@@H]2C(=O)OCC)cc1OC ZINC000001653577 IE Annotated Mild Cc1cc(-c2no[n+]([O-])c2-c2cc(C)sc2S(C)(=O)=O)c(S(C)(=O)=O)s1 ZINC000001653669 IE Annotated Anodyne CN(C)C(=O)C(F)(F)[C@H](c1ccc(C(F)(F)F)cc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000001654932 IE Annotated Anodyne COCc1nc2c(OC)c(-c3nc4ccc(N5CCN(C)CC5)nc4[nH]3)cc(OC)c2[nH]1 ZINC000001658431 IE Annotated Anodyne CC(=O)O[C@H](CN1CCN(c2ccccn2)CC1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000001659239 IE Annotated Anodyne COc1cc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2OC)ccc1O ZINC000001660535 IE Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2OC)ccc1O ZINC000001660536 IE Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2OC)ccc1O ZINC000001660537 IE Annotated Reactive COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2OC)ccc1O ZINC000001660538 IE Annotated Reactive COc1cc([C@H]2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2OC)ccc1O ZINC000001660545 IE Annotated Anodyne Cc1cc(S(=O)(=O)NC(=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)c(S)cc1Cl ZINC000001663278 IE Annotated Reactive NNC(=O)COc1nc(-c2cccs2)nc2ccc(I)cc12 ZINC000001663599 IE Annotated Reactive Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)s1 ZINC000001788429 IE Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)s1 ZINC000001788433 IE Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1 ZINC000001841800 IE Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1 ZINC000001841803 IE Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3O[C@@H](NNC(N)=S)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000001855321 IE Annotated Anodyne COc1cc([C@H]2c3cc4c(c(O)c3C(=O)[C@H]3CCC(=O)N23)OCO4)cc(OC)c1OC ZINC000001856975 IE Annotated Anodyne COc1cc([C@@H]2c3cc4c(c(O)c3C(=O)[C@H]3CCC(=O)N32)OCO4)cc(OC)c1OC ZINC000001856976 IE Annotated Anodyne COc1cc([C@H]2c3cc4c(c(O)c3C(=O)[C@@H]3CCC(=O)N32)OCO4)cc(OC)c1OC ZINC000001856977 IE Annotated Anodyne COc1cc([C@@H]2c3cc4c(c(O)c3C(=O)[C@@H]3CCC(=O)N32)OCO4)cc(OC)c1OC ZINC000001856978 IE Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)C[C@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1 ZINC000001860526 IE Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)C[C@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1 ZINC000001860527 IE Annotated Anodyne COc1ccc(N2C(=O)CC(=O)N(NC(=O)[C@H](C)Oc3ccccc3C)C2=S)cc1 ZINC000001863333 IE Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001914411 IE Annotated Bother O=C1O[C@@H]2[C@@H](c3cc(O)c(O)c(O)c3)Oc3cc(O)ccc3[C@@H]2c2c1cc(O)c(O)c2O ZINC000015112014 IE Annotated Clean COc1cc([C@H]2Oc3c(OC)cc(CCCOS(=O)(=O)O)cc3[C@@H]2CO)ccc1O ZINC000015169042 IE Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O ZINC000015272070 IE Annotated Anodyne COc1cc(C(=O)[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O ZINC000015272087 IE Annotated Anodyne O=C1CC[C@@]23/C=C\C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@H]3C1 ZINC000154392714 IE Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3cc(Br)ccc3OC)nc2n1 ZINC000015668961 IE Annotated Anodyne Cc1ccc(-c2c(C(=O)NN/C=C3\C=Nc4ccccc43)nnn2-c2nonc2N)cc1 ZINC000015837012 IE Annotated Reactive O=C(CCCC(=O)Nc1cccc(Br)c1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000015879914 IE Annotated Reactive CCCOc1ccc(-c2c(C(=O)N/N=C(/C)c3ccco3)nnn2-c2nonc2N)cc1 ZINC000015899802 IE Annotated Reactive C[C@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000015905814 IE Annotated Anodyne C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN3CCCC[C@@H]3C)C2)C1 ZINC000015905816 IE Annotated Anodyne CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)=C\c1ccccc1 ZINC000015934686 IE Annotated Reactive CCCN(CCC)Cc1c(C(=O)NN=C/C(C)=C\c2ccco2)nnn1-c1nonc1N ZINC000015935228 IE Annotated Anodyne CCCN(CCC)Cc1c(C(=O)N/N=C\CCc2ccccc2)nnn1-c1nonc1N ZINC000015935522 IE Annotated Reactive COc1cccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)O3)c1 ZINC000015936538 IE Annotated Anodyne COc1cccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)O3)c1 ZINC000015936539 IE Annotated Anodyne COc1cccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)O3)c1 ZINC000015936541 IE Annotated Anodyne COc1cccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)O3)c1 ZINC000015936542 IE Annotated Anodyne COC(=O)[C@@H]1[C@H]2SC(C)(C)[C@@H](C(=O)OC)N2C(=O)N1Cc1nc2ccccc2s1 ZINC000015937354 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2SC(C)(C)[C@@H](C(=O)OC)N2C(=O)N1Cc1nc2ccccc2s1 ZINC000015937355 IE Annotated Anodyne COC(=O)[C@@H]1N2C(=O)N(Cc3nc4ccccc4s3)[C@H](C(=O)OC)[C@H]2SC1(C)C ZINC000015937356 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2SC(C)(C)[C@H](C(=O)OC)N2C(=O)N1Cc1nc2ccccc2s1 ZINC000015937357 IE Annotated Anodyne Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000015937539 IE Annotated Clean Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000015937540 IE Annotated Clean CCCCN1CC(=O)N2[C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]2(C)C1=O ZINC000015941121 IE Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(CC4CC4)CC(=O)N23)o1 ZINC000015941174 IE Annotated Anodyne CCOCCCN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000015942668 IE Annotated Anodyne Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CC(=O)N4)CC2)c1 ZINC000015943912 IE Annotated Anodyne Cc1cccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2cccc(C)c2C)c1C ZINC000015952023 IE Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000015952249 IE Annotated Anodyne COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)N=C2NN=C(C(F)(F)F)N2[C@@]1(C)O ZINC000015953182 IE Annotated Anodyne O=C(CNC(=O)c1cccc(Br)c1)NN/C=C1\C=NN=C1c1ccccc1 ZINC000015974131 IE Annotated Reactive CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(OC)cc3)nnn2-c2nonc2N)cc1 ZINC000015978776 IE Annotated Anodyne aggregator Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2ccco2)c1 ZINC000016689730 IE Annotated Anodyne C=CCOc1ccc([C@H]2[C@H](C(=O)OCC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC)cc1OC ZINC000016958847 IE Annotated Mild COCCNc1cc(C(=O)O)nc2c(-c3ccc(F)cc3O)nc(N3CCOCC3)nc12 ZINC000166455366 IE Annotated Anodyne C[C@@]12C3=CC[C@@](C)([C@H](Br)CO)C[C@@H]3[C@@H](O)C[C@H]1C(=O)CCCC(=O)[C@@H]2O ZINC000166568560 IE Annotated Reactive CCC[C@@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@](O)(C(Br)Br)O1 ZINC000166758473 IE Annotated Reactive CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OCCN(C)C)cc12)c1cccc(F)c1 ZINC000166957467 IE Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cc(OCCN(C)C)cc12)c1cccc(F)c1 ZINC000166957557 IE Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](O)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167355977 IE Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@@H](O)CO3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167391482 IE Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@H](O)CO3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167391579 IE Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCNCC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167404768 IE Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CC4(CNC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167454742 IE Annotated Mild CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000168075092 IE Annotated Anodyne Cc1nnc([C@H]2C[C@H](S(=O)(=O)c3ccccc3Cl)CN2c2ccnc(C#N)n2)o1 ZINC000168492493 IE Annotated Mild O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cccc(N2CCN(Cc3ccccn3)CC2)n1 ZINC000168987586 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000169290337 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000169290338 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 ZINC000169290339 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000169290340 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccccc1)c1ccccc1 ZINC000169291176 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 ZINC000169291177 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 ZINC000169291178 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 ZINC000169291179 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291379 IE Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291380 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291381 IE Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291382 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291562 IE Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291563 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291564 IE Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F ZINC000169291566 IE Annotated Anodyne CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](O)[C@]34O[C@]3(C)C(=O)O[C@H]4/C=C(\C)CC[C@@H](OC(C)=O)[C@@]12C ZINC000169293394 IE Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000169293622 IE Annotated Anodyne C[C@]1(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1ccccc1C#N ZINC000169294336 IE Annotated Mild C[C@]1(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)CCCN1S(=O)(=O)c1ccccc1C#N ZINC000169294337 IE Annotated Mild O=C1CC[C@@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@H]3C1 ZINC000169294973 IE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000169294975 IE Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000169294976 IE Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000169294977 IE Annotated Anodyne Cc1cc(C)cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]4C2=O)c1 ZINC000169295859 IE Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000169296113 IE Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000169297385 IE Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000169297387 IE Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000169297389 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C ZINC000169299091 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C ZINC000169299092 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C ZINC000169299093 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@H]1C ZINC000169299291 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@H]1C ZINC000169299292 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@H]1C ZINC000169299294 IE Annotated Anodyne N#C[C@H](Br)C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000169300466 IE Annotated Reactive N#C[C@H](Br)C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000169300468 IE Annotated Reactive CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000169303186 IE Annotated Anodyne c1ccc2c([C@@H](c3nnnn3-c3ccc4c(c3)OCCO4)N3CCOCC3)ccnc2c1 ZINC000169303266 IE Annotated Anodyne c1ccc2c([C@H](c3nnnn3-c3ccc4c(c3)OCCO4)N3CCOCC3)ccnc2c1 ZINC000169303267 IE Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C(C)C)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000169303419 IE Annotated Mild CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN([C@@H](C(=O)OC)C(C)C)C(=O)[C@@H]24)O3)cc1 ZINC000169306487 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN([C@@H](C(=O)OC)C(C)C)C(=O)[C@@H]24)O3)cc1 ZINC000169306488 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N([C@@H](C(=O)OC)C(C)C)C[C@@]34C=C[C@H]2O4)cc1 ZINC000169306489 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N([C@@H](C(=O)OC)C(C)C)C[C@@]34C=C[C@H]2O4)cc1 ZINC000169306490 IE Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccc([S@@](N)=O)cc4)n3n2)c1 ZINC000169306690 IE Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccc([S@](N)=O)cc4)n3n2)c1 ZINC000169306692 IE Annotated Anodyne COc1ccc(CCN2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1OC ZINC000169306718 IE Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169309142 IE Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169309143 IE Annotated Anodyne CCOC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)/C(=C(\C)NCCOc1ccccc1)C2=O ZINC000169309157 IE Annotated Mild CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)CCC[C@H]1C ZINC000169310079 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(C)cc3)[C@@H]4C2=O)CC1 ZINC000169310438 IE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000169313752 IE Annotated Anodyne COC(=O)/C=C/C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319049 IE Annotated Anodyne C=C(CC(=O)OC)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319050 IE Annotated Mild COC(=O)/C=C(\C)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319064 IE Annotated Anodyne CN(C)C1=N[C@H]2C(=[N+]([O-])O)c3ccc([N+](=O)[O-])cc3[C@H]([C@@H]2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000169321041 IE Annotated Mild CN(C)C1=N[C@H]2c3cc([N+](=O)[O-])ccc3C(=[N+]([O-])O)[C@H]([C@@H]2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000169321047 IE Annotated Mild CN(C)C1=N[C@H]2C(=[N+]([O-])O)c3c(cccc3[N+](=O)[O-])[C@H]([C@@H]2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000169321053 IE Annotated Mild O=S1(=O)CC[N+]([O-])(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 ZINC000169321460 IE Annotated Reactive CC(=O)Oc1c(C)c(OC(C)=O)c2c(c1C(C)=O)O[C@@H]1CC(O)=C(C(C)=O)C(=O)[C@@]21C ZINC000169323836 IE Annotated Mild CC(=O)Oc1c(C)c(OC(C)=O)c2c(c1C(C)=O)O[C@H]1CC(O)=C(C(C)=O)C(=O)[C@@]21C ZINC000169323838 IE Annotated Mild CC(=O)Oc1c(C)c(OC(C)=O)c2c(c1C(C)=O)O[C@@H]1CC(O)=C(C(C)=O)C(=O)[C@]21C ZINC000169323840 IE Annotated Mild CC(=O)Oc1c(C)c(OC(C)=O)c2c(c1C(C)=O)O[C@H]1CC(O)=C(C(C)=O)C(=O)[C@]21C ZINC000169323842 IE Annotated Mild CC(=O)c1cc(C)cc([C@@]2(C)C=C(NC(=O)CCN3CCN(C)CC3)C(=O)CC2)c1O ZINC000169323956 IE Annotated Mild CC(=O)c1cc(C)cc([C@]2(C)C=C(NC(=O)CCN3CCN(C)CC3)C(=O)CC2)c1O ZINC000169323958 IE Annotated Mild COC(=O)CC[C@@]1(C)C(=O)CC[C@H]2[C@@H]1C(=O)C[C@@]1(C)[C@@H]2CC[C@@]12OCO[C@@]21COCO1 ZINC000169325717 IE Annotated Anodyne COC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@@]1(C)[C@@H]2CC[C@@]12OCO[C@@]21COCO1 ZINC000169325719 IE Annotated Anodyne COc1cc(-n2nnnc2OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000169331787 IE Annotated Bother CC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCC=C(N2CCOCC2)C1=O ZINC000169331804 IE Annotated Anodyne CN(C)C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000169334387 IE Annotated Anodyne COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CCNCC3)cn2)c(OC)c1 ZINC000169335140 IE Annotated Anodyne COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CCNCC3)cn2)c(OC)c1 ZINC000169335141 IE Annotated Anodyne CCC(=O)Nc1cc(NC(=O)CC)cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336177 IE Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)OC1=O ZINC000169336512 IE Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)OC1=O ZINC000169336514 IE Annotated Reactive N=C(NCCCCCCNC(=N)NC(=N)NC1CCCCC1)NC(=N)NC1CCCCC1 ZINC000169337216 IE Annotated Anodyne O=S(=O)(N[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccccc1 ZINC000169337545 IE Annotated Clean CC(=O)N/C(=C\c1ccoc1)C(=O)N[C@H](C(=O)N[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C ZINC000169337601 IE Annotated Anodyne C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169338026 IE Annotated Anodyne C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169338028 IE Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169341160 IE Annotated Anodyne CCC[C@]1(C(=O)OCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169341161 IE Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169341163 IE Annotated Anodyne CCCCN1CCS(=O)(=O)N(Cc2ccccc2Br)C[C@@H](C(=O)OC)C1 ZINC000169341302 IE Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(Cl)cnc3OC[C@@H]1O2 ZINC000169341923 IE Annotated Anodyne Cc1cc(C)n2nc(C(=O)NS(=O)(=O)c3c(C)cccc3OC(F)(F)F)nc2n1 ZINC000169342520 IE Annotated Anodyne O=c1c(N2CCN(c3cnccn3)CC2)nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000169342594 IE Annotated Bother CCC(=O)OCc1cn(CCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 ZINC000169346146 IE Annotated Reactive NC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc(C(F)(F)F)cc12 ZINC000169347360 IE Annotated Anodyne NC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc(C(F)(F)F)cc12 ZINC000169347361 IE Annotated Anodyne C=Cc1[nH]c([C@@H](C)NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)nc1C ZINC000169347529 IE Annotated Anodyne C=Cc1[nH]c([C@H](C)NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)nc1C ZINC000169347530 IE Annotated Anodyne C=CCn1c(=O)/c(=C\c2cccc(Br)c2)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348714 IE Annotated Mild C=CCn1c(=O)/c(=C\c2ccccc2C(F)(F)F)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348724 IE Annotated Mild C[C@]12Cc3[nH]nc(C(=O)Nc4cnn([C@@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@H]1C2 ZINC000169348892 IE Annotated Anodyne C[C@@]12Cc3[nH]nc(C(=O)Nc4cnn([C@@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@H]1C2 ZINC000169348893 IE Annotated Anodyne C[C@]12Cc3[nH]nc(C(=O)Nc4cnn([C@@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@@H]1C2 ZINC000169348895 IE Annotated Anodyne C[C@@]12Cc3[nH]nc(C(=O)Nc4cnn([C@@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@@H]1C2 ZINC000169348898 IE Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccc(O)c(C(=O)O)c1 ZINC000169351899 IE Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccc(O)c(C(=O)O)c1 ZINC000169351900 IE Annotated Anodyne O=C(O)[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3 ZINC000169352967 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000169353340 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000169353342 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000169353344 IE Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)c4)CC3)c2c1 ZINC000169354080 IE Annotated Mild COc1ccc2c(ccc(=O)n2CCN2CCC(NCc3cnc(C)c(C#N)c3)CC2)n1 ZINC000169354081 IE Annotated Mild Cc1ncc(CN[C@@H]2CCN(CCn3c(=O)ccc4ncc(F)cc43)C[C@@H]2F)cc1C#N ZINC000169354093 IE Annotated Mild COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(Cc2ccco2)C3=N1 ZINC000169355413 IE Annotated Anodyne C#CCCCO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169355760 IE Annotated Mild C#CCCCO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169355761 IE Annotated Mild C#Cc1cccc(N2C(=O)[C@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(C#C)c3)C(=O)[C@@H]42)c1 ZINC000169355996 IE Annotated Mild COc1cc(C)cc2c1C(=O)[C@@H]1O[C@@]1(c1c(C)cc3c(c1OC)C(=O)[C@@H]1O[C@@H]1C3=O)C2=O ZINC000169363325 IE Annotated Clean COc1cc(C)cc2c1C(=O)[C@H]1O[C@@]1(c1c(C)cc3c(c1OC)C(=O)[C@@H]1O[C@@H]1C3=O)C2=O ZINC000169363326 IE Annotated Clean COc1cc(C)cc2c1C(=O)[C@H]1O[C@]1(c1c(C)cc3c(c1OC)C(=O)[C@@H]1O[C@@H]1C3=O)C2=O ZINC000169363327 IE Annotated Clean CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCCN5CCOCC5)C(=O)[C@@H]24)O3)cc1 ZINC000169365795 IE Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCCN5CCOCC5)C(=O)[C@@H]24)O3)cc1 ZINC000169365797 IE Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCCN4CCOCC4)C[C@@]34C=C[C@H]2O4)cc1 ZINC000169365799 IE Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCCN4CCOCC4)C[C@@]34C=C[C@H]2O4)cc1 ZINC000169365801 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@@H](OC(C)=O)C[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000169643144 IE Annotated Mild CC(C)=C[C@H]1O[C@@](C)(C[C@@H]2C(=O)C(C)=C[C@H]2O)[C@@H]2C(=O)[C@@]3(O)[C@@H](C)CC[C@H]3[C@H](C)[C@]12O ZINC000169660460 IE Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H]1O[C@]12[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)CC(C)(C)[C@H]1[C@@H](O)C3 ZINC000169664133 IE Annotated Mild O=[N+]([O-])c1ccc(/N=N/Cc2ccc(O)c(O)c2O)c(S(=O)(=O)N2CCOCC2)c1 ZINC000169686827 IE Annotated Clean COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000169687625 IE Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000169687626 IE Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000169687627 IE Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000169687628 IE Annotated Anodyne COC(=O)Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)[C@@H](C#N)C(=N)O2 ZINC000169687735 IE Annotated Mild COC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)[C@@H](C#N)C(=N)O2 ZINC000169687736 IE Annotated Mild Cc1ccc([C@H]2[C@@H](C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1 ZINC000169688105 IE Annotated Anodyne Cc1ccc([C@@H]2[C@H](C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1 ZINC000169688106 IE Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@]21C(=O)N(CN2CCOCC2)c2ccccc21 ZINC000169688764 IE Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C@H](C#N)[C@]21C(=O)N(CN2CCOCC2)c2ccccc21 ZINC000169688765 IE Annotated Mild CCOc1ccc(-n2c(O)c(/C=N/c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2=O)cc1 ZINC000169688798 IE Annotated Mild O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O ZINC000169688868 IE Annotated Mild COC(=O)CN1C(=O)[C@@]2(c3ccccc31)c1c(-c3cccs3)n[nH]c1OC(=N)[C@@H]2C#N ZINC000169689078 IE Annotated Mild COC(=O)CN1C(=O)[C@]2(c3ccccc31)c1c(-c3cccs3)n[nH]c1OC(=N)[C@@H]2C#N ZINC000169689079 IE Annotated Mild C=c1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)/c1=C\c1ccc(OC(=O)c2cccs2)cc1 ZINC000169689834 IE Annotated Anodyne CCOc1cc([C@@H]2c3c(n[nH]c3C)OC(=N)[C@@H]2C#N)ccc1OCCN1CCOCC1 ZINC000169690832 IE Annotated Mild CCOc1cc([C@H]2c3c(n[nH]c3C)OC(=N)[C@@H]2C#N)ccc1OCCN1CCOCC1 ZINC000169690833 IE Annotated Mild COC(=O)CN1C(=O)[C@@]2(c3ccccc31)c1c(C)nn(-c3ccccc3)c1OC(=N)[C@@H]2C#N ZINC000169691017 IE Annotated Mild COC(=O)CN1C(=O)[C@]2(c3ccccc31)c1c(C)nn(-c3ccccc3)c1OC(=N)[C@@H]2C#N ZINC000169691018 IE Annotated Mild O=C(CCN1C(=O)c2ccccc2C1=O)c1[nH][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000169691205 IE Annotated Anodyne Cc1ccc(-n2c(O)c3[nH][nH]c(C(=O)CN4C(=O)c5ccccc5C4=O)c-3c2=O)c(C)c1 ZINC000169691388 IE Annotated Anodyne COc1ccc(Br)cc1CN(C)C(=O)C1=C2NS(=O)(=O)C=CN2C=CC1 ZINC000169691969 IE Annotated Anodyne COc1ccc(/C=N\NC(=O)[C@@H](/C=N/c2nccc(C)n2)NC(=O)c2ccccc2)cc1 ZINC000169693863 IE Annotated Reactive COc1ccc(/C=N\NC(=O)[C@H](/C=N/c2nccc(C)n2)NC(=O)c2ccccc2)cc1 ZINC000169693864 IE Annotated Reactive C/C(=N\n1cc(O)[nH]c1=O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1 ZINC000169694207 IE Annotated Mild CON(C)C(=O)[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 ZINC000169694747 IE Annotated Anodyne Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2ccccc2)c1 ZINC000169697489 IE Annotated Mild CCc1ncnc(N2CCC(OC)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000169697508 IE Annotated Mild COCCN(C)c1cc(C(=O)O)nc2c(-c3ccc(O)cc3)nc(N3CCOCC3)nc12 ZINC000169698797 IE Annotated Anodyne COCCNc1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12 ZINC000169698806 IE Annotated Anodyne COCCNc1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12 ZINC000169698811 IE Annotated Anodyne CC[C@@H]1CNCCN1/C(=N\C)[C@@H](C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N ZINC000169699278 IE Annotated Mild CC[C@@H]1CNCCN1/C(=N\C)[C@H](C=N)NC(=O)c1nc(-c2c(F)cccc2F)sc1N ZINC000169699279 IE Annotated Mild C/N=C(/[C@@H](C=N)NC(=O)c1nc(-c2ccccc2F)sc1N)N1CC[C@@H](N)[C@H](F)CC1 ZINC000169699303 IE Annotated Mild C/N=C(/[C@H](C=N)NC(=O)c1nc(-c2ccccc2F)sc1N)N1CC[C@@H](N)[C@H](F)CC1 ZINC000169699304 IE Annotated Mild Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1 ZINC000169699333 IE Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1 ZINC000169699334 IE Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC2(CCNC2)C1 ZINC000169699414 IE Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@H](N)[C@H](F)CC1 ZINC000169699440 IE Annotated Anodyne Cn1ncc(NC(=O)c2nc(-c3cncc(F)c3)sc2N)c1N1CCC[C@H](N)CC1 ZINC000169699465 IE Annotated Anodyne Cc1noc(C)c1-c1nc(C(=O)Nc2cnn(C)c2N2CCC[C@H](N)CC2)c(N)s1 ZINC000169699466 IE Annotated Anodyne Cc1ccncc1-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)[C@H](F)CC2)c(N)s1 ZINC000169699477 IE Annotated Anodyne Cc1ncccc1-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)[C@H](F)CC2)c(N)s1 ZINC000169699479 IE Annotated Anodyne Cc1cc(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)[C@H](F)CC3)c(N)s2)ccn1 ZINC000169699480 IE Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N([C@@H](C)CO)C1=O ZINC000169700479 IE Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N([C@H](C)CO)C1=O ZINC000169700481 IE Annotated Anodyne CC(C)N1CCC(C(=O)Nc2cccc(CNC3=NC=N[C@@H]4C(C(N)=O)=CCC=C34)c2)CC1 ZINC000169700729 IE Annotated Anodyne CC(C)N1CCC(C(=O)Nc2cccc(CNC3=NC=N[C@H]4C(C(N)=O)=CCC=C34)c2)CC1 ZINC000169700730 IE Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CN)c5ccccc5)n4)cnc23)CC1 ZINC000169701234 IE Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@H](CN)c5ccccc5)n4)cnc23)CC1 ZINC000169701235 IE Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CCN)c5ccccc5)n4)cnc23)CC1 ZINC000169701236 IE Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@H](CCN)c5ccccc5)n4)cnc23)CC1 ZINC000169701237 IE Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CN)c5ccsc5)n4)cnc23)CC1 ZINC000169701256 IE Annotated Anodyne CN1CCN(c2nccn3c(-c4ccnc(N[C@H](CN)c5ccsc5)n4)cnc23)CC1 ZINC000169701257 IE Annotated Anodyne Cn1cc(CCN2C[C@H](N3Cc4cn[nH]c4C3)C[C@H](N)[C@@H]2c2cc(F)ccc2F)cn1 ZINC000169701996 IE Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@@H](N=O)C4)n3)cc2)CC1 ZINC000169702083 IE Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](N=O)C4)n3)cc2)CC1 ZINC000169702084 IE Annotated Anodyne C[C@@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)O)cc3)CC2)CC1 ZINC000169703265 IE Annotated Anodyne C[C@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)O)cc3)CC2)CC1 ZINC000169703266 IE Annotated Anodyne CC(C)(C)[C@@H](OC(N)=O)[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1 ZINC000169704056 IE Annotated Anodyne CC(C)(C)[C@H](OC(N)=O)[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1 ZINC000169704057 IE Annotated Anodyne CC(C)(C)[C@@H](OC(N)=O)[C@H]1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1 ZINC000169704058 IE Annotated Anodyne CC(C)(C)[C@H](OC(N)=O)[C@H]1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1 ZINC000169704059 IE Annotated Anodyne COC(=O)NC1CN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C)cc2)nn3C)C1 ZINC000169706081 IE Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2)c2cncnc21 ZINC000169707724 IE Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4CC4)nn3)c2)c2cnc(N)nc21 ZINC000169707809 IE Annotated Anodyne NC(=O)Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707857 IE Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnc4ncnn4c3)c2)c2cncnc21 ZINC000169707916 IE Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4nnnn4c3)c2)c2cncnc21 ZINC000169708018 IE Annotated Anodyne CC(=O)N1CCN(c2ccc(CN3CCCN(c4ccccc4)S3(=O)=O)c(F)c2)CC1 ZINC000169710350 IE Annotated Clean N#Cc1nc(C(=O)NCC2(C(=O)O)CCC2)c(O)c2ccn(Cc3ccccc3)c(=O)c12 ZINC000169710950 IE Annotated Mild CCCNC(=O)CCCNC(=O)c1nc(C#N)c2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710961 IE Annotated Mild O=CNCCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711000 IE Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccccn3)c(=O)n2Cc2ccccc2)c1O ZINC000169711009 IE Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccncc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711013 IE Annotated Anodyne O=C(O)CCNC(=O)c1nc(-c2cccnc2)c2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169711088 IE Annotated Clean N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CC[C@@H](O)C2)c1 ZINC000169711892 IE Annotated Mild N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CC[C@H](O)C2)c1 ZINC000169711893 IE Annotated Mild [C-]#[N+]c1cnc2c(Nc3nc(C)n(C)n3)nc(Nc3ccc4c(c3)c(C#N)nn4C)nn12 ZINC000169711956 IE Annotated Mild N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(OC2CCNCC2)cc1F ZINC000169711969 IE Annotated Mild COc1cc(CC(=O)N2CCC(n3c(=O)nc4cccc[c-]43)CC2)c([N+](=O)[O-])cc1OC ZINC000169717089 IE Annotated Bother CC(C)(C)[C@H]1C(=O)[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)N1Cc1ccccn1 ZINC000169719343 IE Annotated Anodyne CC(C)(C)[C@H]1C(=O)[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)N1Cc1ccccn1 ZINC000169719344 IE Annotated Anodyne COc1cc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc(OC)c1O ZINC000169722475 IE Annotated Clean C[C@@H]1O[C@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1O ZINC000017022738 IE Annotated Clean C[C@H]1O[C@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1O ZINC000017022740 IE Annotated Clean COC1=C/C(=C/NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)C=CC1=O ZINC000017136147 IE Annotated Reactive OC[C@H](O)[C@@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000017196118 IE Annotated Anodyne N#C[C@H](C(=N/N=C(\N)S)/C(=N\NC(N)=S)[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000017197163 IE Annotated Mild COC(=O)C1=C[C@H]2C[C@@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1 ZINC000017215303 IE Annotated Anodyne COC(=O)C1=C[C@@H]2C[C@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1 ZINC000017215305 IE Annotated Anodyne COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)N(C)S(=O)(=O)N=C3N)cc1 ZINC000017218745 IE Annotated Anodyne CCOC(OCC)N1C(=O)[C@@]2(C(OCC)OCC)C[C@H]3[C@@H](OC(=O)N3N)c3cccc1c32 ZINC000017222214 IE Annotated Anodyne CCOC(OCC)N1C(=O)[C@]2(C(OCC)OCC)C[C@H]3[C@@H](OC(=O)N3N)c3cccc1c32 ZINC000017222217 IE Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@@H]23)OCO4)cc(OC)c1OC ZINC000017249920 IE Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@@H]23)OCO4)cc(OC)c1OC ZINC000017249924 IE Annotated Anodyne Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017252262 IE Annotated Mild Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017252265 IE Annotated Mild Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2C)cc1 ZINC000017252499 IE Annotated Mild Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2C)cc1 ZINC000017252502 IE Annotated Mild C/C(=N\NC(=S)N(C)CCN(C)C(=S)N/N=C(\C)c1ccccn1)c1ccccn1 ZINC000017252718 IE Annotated Mild C/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1N/C=C1\C=CC(=O)C(OC)=C1 ZINC000017860893 IE Annotated Mild COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CC(C)(C)CC(=O)[C@H]32)cc1OC ZINC000018042793 IE Annotated Anodyne COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1OC ZINC000018042795 IE Annotated Anodyne Nc1cc2ncnn2c(SCC(=O)N/N=C/C(Br)=C\c2ccccc2)n1 ZINC000018067594 IE Annotated Reactive COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CC(C)(C)CC(=O)[C@H]32)cc1OC ZINC000018098979 IE Annotated Anodyne COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1OC ZINC000018098981 IE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nc2c1 ZINC000018120731 IE Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2CN(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000019211226 IE Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2CN(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000019211230 IE Annotated Anodyne CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000019224377 IE Annotated Mild CCC[C@@]1(C(=O)OCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019501964 IE Annotated Anodyne CCN1CCN(C2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)CC1 ZINC000019733206 IE Annotated Anodyne OCCN1CCN(Cc2ccc3c(c2)CN(Cc2cccn2-c2ccccn2)CCO3)CC1 ZINC000019740949 IE Annotated Anodyne CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccnc3ccccc13)CC2 ZINC000019770705 IE Annotated Anodyne CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccnc3ccccc13)CC2 ZINC000019770706 IE Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000019860482 IE Annotated Clean CCOc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000019860485 IE Annotated Clean Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 ZINC000195097966 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000195097977 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 ZINC000195097989 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1 ZINC000195098007 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccccc1)c1ccccc1 ZINC000195141840 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccccc1)c1ccccc1 ZINC000195141853 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccccc1)c1ccccc1 ZINC000195141861 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1ccccc1)c1ccccc1 ZINC000195141874 IE Annotated Anodyne COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CCC[C@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000195210708 IE Annotated Anodyne COc1cc(C)cc2c1C(=O)[C@H]1O[C@]1(c1c(C)cc3c(c1OC)C(=O)[C@H]1O[C@H]1C3=O)C2=O ZINC000195212733 IE Annotated Clean O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H]2[C@@H](c3ccccc3)c3sc(O)nc3S[C@@H]21 ZINC000195327388 IE Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O ZINC000195327397 IE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000195339147 IE Annotated Anodyne O=C1CC[C@@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@@H]3C1 ZINC000195368176 IE Annotated Anodyne N#C[C@H](Br)C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000195373316 IE Annotated Reactive N#C[C@H](Br)C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000195373328 IE Annotated Reactive CC(C)CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 ZINC000195390516 IE Annotated Mild CC(C)CO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 ZINC000195390524 IE Annotated Mild CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000195409128 IE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000195412861 IE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000195412867 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN([C@H](C(=O)OC)C(C)C)C(=O)[C@@H]24)O3)cc1 ZINC000195427944 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN([C@H](C(=O)OC)C(C)C)C(=O)[C@@H]24)O3)cc1 ZINC000195427949 IE Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(CCCN5CCOCC5)C(=O)[C@@H]24)O3)cc1 ZINC000195431547 IE Annotated Anodyne CCN1C[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 ZINC000195435741 IE Annotated Anodyne CCN1C[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 ZINC000195435747 IE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000195450061 IE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000195450067 IE Annotated Anodyne COC(=O)C1=C[C@@H]2C[C@@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195474259 IE Annotated Anodyne COC(=O)C1=C[C@H]2C[C@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195474266 IE Annotated Anodyne CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 ZINC000195476001 IE Annotated Anodyne C#CCCCO/N=C1\C[C@H](O)[C@H](O)[C@H]2[C@@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000195476163 IE Annotated Mild C#CCCCO/N=C1/C[C@H](O)[C@H](O)[C@H]2[C@@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000195476167 IE Annotated Mild C#CCCCO/N=C1\C[C@H](O)[C@H](O)[C@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000195476172 IE Annotated Mild C#CCCCO/N=C1/C[C@H](O)[C@H](O)[C@H]2[C@@H]3C(=O)N([C@@H](C)c4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000195476176 IE Annotated Mild CC(=O)[C@@H](/N=N\C1CCC(S(=O)(=O)NB2N=CS2)CC1)C(=O)Nc1ccccc1C ZINC000195502397 IE Annotated Clean CC(=O)[C@H](/N=N\C1CCC(S(=O)(=O)NB2N=CS2)CC1)C(=O)Nc1ccccc1C ZINC000195502400 IE Annotated Clean O=CN1CC[C@]23C[C@H](O)CC[C@@H]2[C@@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 ZINC000195516082 IE Annotated Anodyne O=CN1CC[C@]23C[C@@H](O)CC[C@@H]2[C@@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 ZINC000195516084 IE Annotated Anodyne O=CN1CC[C@]23C[C@H](O)CC[C@H]2[C@@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 ZINC000195516086 IE Annotated Anodyne C/C=C(\C)C(=O)C[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12O[C@@H](C)CC[C@@H]2O ZINC000195524083 IE Annotated Mild C/C=C(\C)C(=O)C[C@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12O[C@@H](C)CC[C@@H]2O ZINC000195524084 IE Annotated Mild C/C=C(\C)C(=O)C[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@]12O[C@@H](C)CC[C@@H]2O ZINC000195524085 IE Annotated Mild C/C=C(\C)C(=O)C[C@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@]12O[C@@H](C)CC[C@@H]2O ZINC000195524087 IE Annotated Mild C=C1CC[C@]2(C)C3=C(C(=O)[C@@]4(C[C@@H]4C)[C@H](OC(C)=O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@H]2C1=C ZINC000197213643 IE Annotated Mild C=C1[C@@H]2[C@@H](OC(=O)[C@H](C)CC)C(=O)O[C@@H]3Cc4c(C)ccc(C)c4[C@@H]4[C@]23CO[C@@]4(O)[C@@H]1O ZINC000197230006 IE Annotated Mild COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@@H]3OC(=O)c1cccnc1 ZINC000197264304 IE Annotated Anodyne CC(=O)O[C@@H]1C=C[C@]2(C)[C@@H](OC(C)=O)CC/C(C)=C\[C@@H]3OC(=O)[C@]4(C)O[C@]34[C@@H](O)[C@H]2[C@H]1C ZINC000197405230 IE Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)cc1OC ZINC000198346556 IE Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)cc1OC ZINC000198346564 IE Annotated Anodyne CCNC1=C2C(CCO)=C(C(=O)OC)C3=C2[C@]2(C)[C@H](CC1)CN1C[C@@H](C)[C@@H](C[C@@H]12)C3=O ZINC000198658805 IE Annotated Mild CN1CCN(c2ccc(-c3ncc4c(n3)N(CCCCN3CCOCC3)CC4)cc2)CC1 ZINC000199004830 IE Annotated Anodyne Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCOCC1 ZINC000199008112 IE Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000199218448 IE Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCCn1ccnc1 ZINC000199224872 IE Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCCn1ccnc1 ZINC000199224889 IE Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(F)c1 ZINC000199233894 IE Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(F)c1 ZINC000199233915 IE Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 ZINC000199233949 IE Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 ZINC000199233960 IE Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N2CCS(=O)(=O)CC2)c(C#N)c1 ZINC000199269894 IE Annotated Mild C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N2CCS(=O)(=O)CC2)c(C#N)c1 ZINC000199270711 IE Annotated Mild COc1cc(O)c2c(O)c3c(cc2c1)C[C@@H](C[C@H](O)C[C@H](O)CCCCCO)OC3=O ZINC000199399062 IE Annotated Anodyne COc1cc(C)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(O)c1 ZINC000199800272 IE Annotated Anodyne in-man endogenous CC1(C)O[C@@H]2[C@@H](CO)O[C@@H]3[C@@]2(O1)C(=O)N1c2ccccc2C(=O)[C@]31c1c[nH]c2ccccc12 ZINC000199820100 IE Annotated Anodyne C=CCOc1cccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000002263015 IE Annotated Mild C=CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000002263016 IE Annotated Mild Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4cccnc4)n(C[C@H]4CCCO4)c3nc12 ZINC000002426691 IE Annotated Anodyne Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4cccnc4)n(C[C@@H]4CCCO4)c3nc12 ZINC000002426693 IE Annotated Anodyne CCCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O ZINC000002457592 IE Annotated Anodyne CN(C)CCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457792 IE Annotated Anodyne CN(C)CCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457794 IE Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC3)c21 ZINC000002459240 IE Annotated Anodyne CCN(CCN(C)C)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002459291 IE Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC3)c21 ZINC000002459318 IE Annotated Anodyne O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3)NC[C@H]1CCCO1 ZINC000002467544 IE Annotated Anodyne O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3)NC[C@@H]1CCCO1 ZINC000002467549 IE Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCO)cc1 ZINC000002480931 IE Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC ZINC000002483844 IE Annotated Bother CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000002488138 IE Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000002488139 IE Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002491656 IE Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002491659 IE Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491686 IE Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491688 IE Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491692 IE Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491694 IE Annotated Anodyne O=C(CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1 ZINC000002493571 IE Annotated Anodyne O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccco1 ZINC000002493593 IE Annotated Anodyne CCCCN(C)CCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002493999 IE Annotated Anodyne CS(=O)(=O)CC[C@@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O ZINC000002497054 IE Annotated Anodyne CS(=O)(=O)CC[C@H](C(=O)Nc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O ZINC000002497056 IE Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CNC(=S)NCc5ccccc5)(O4)[C@@H]3C2=O)cc1 ZINC000020183250 IE Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CNC(=S)NCc5ccccc5)(O4)[C@@H]3C2=O)cc1 ZINC000020183252 IE Annotated Anodyne CN1CCN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)CC1 ZINC000020416028 IE Annotated Anodyne COc1cc(NC(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)ncn1 ZINC000020417400 IE Annotated Anodyne CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc(Br)cnc1N ZINC000020484355 IE Annotated Anodyne CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020486942 IE Annotated Anodyne Cc1ccc(N(C)C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1 ZINC000020487652 IE Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)OC ZINC000200206796 IE Annotated Mild COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c1OC ZINC000201452132 IE Annotated Anodyne O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)s1)N1CCOCC1 ZINC000201463514 IE Annotated Anodyne CCOC(=O)Cc1nc(N2CCCN(C(C)=O)CC2)c2c(C)c(C(=O)OCC)sc2n1 ZINC000201463887 IE Annotated Anodyne CS(=O)(=O)NCCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1 ZINC000202225248 IE Annotated Mild Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC(Cc3ccccc3)CC2)c(=O)c1=O ZINC000203392939 IE Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)C[C@@H](CC(=O)N2CCCC2)C(=O)N2CCCC=C21 ZINC000203469179 IE Annotated Anodyne COC(=O)[C@H]1C[C@@]2(N3CCCCC3)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1 ZINC000203471031 IE Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCCCN1CCCC1=O)C2 ZINC000203472535 IE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N(C)Cc3ccccc3F)ccc21 ZINC000203474689 IE Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1F ZINC000204413118 IE Annotated Anodyne CCN(CC)CCNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 ZINC000020510640 IE Annotated Anodyne CCCN1CCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 ZINC000020557096 IE Annotated Anodyne CC1CCN(C(=O)CCc2nc(CN3CCN(C(=O)/C=C/c4ccco4)CC3)no2)CC1 ZINC000020562494 IE Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@@H](C)CCc1ccccc1 ZINC000020581803 IE Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@H](C)CCc1ccccc1 ZINC000020581807 IE Annotated Anodyne Cc1csc(CN(C)C(=O)CCCn2nnnc2CN2CCc3ccccc3C2)n1 ZINC000020600502 IE Annotated Anodyne COc1cc(CN2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)ccc1F ZINC000020995921 IE Annotated Anodyne N#C[C@H]1C[C@@H](C(=O)NC2COC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000205027901 IE Annotated Mild CC(=O)Nc1ccc(NC(=O)C2=CN3CCN(Cc4c(C)noc4C)C(=O)N=C3O2)cc1 ZINC000205207552 IE Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C2=CN3CCN(Cc4cscn4)C(=O)N=C3O2)cc1 ZINC000205214117 IE Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3ccc4c(c3)OCO4)OC2=NC1=O ZINC000205219724 IE Annotated Anodyne Cc1noc(C)c1CN1CCN2C(C(=O)Nc3ccc4c(c3)OCO4)=COC2=NC1=O ZINC000205224451 IE Annotated Anodyne N#Cc1cccc(CN2CCN3C(C(=O)Nc4ccc5c(c4)OCO5)=COC3=NC2=O)c1 ZINC000205225090 IE Annotated Mild N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2C/C=C/C(=O)O)cc1 ZINC000205237908 IE Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3cccc(C#N)c3)cc21 ZINC000205479999 IE Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccc(Cl)cn1 ZINC000205806505 IE Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccc(Cl)cn1 ZINC000205806526 IE Annotated Mild Cn1nccc1[C@@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000205812456 IE Annotated Mild Cn1nccc1[C@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000205812476 IE Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC(=O)C1CC1 ZINC000205815341 IE Annotated Mild COCCN(C)Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000205815407 IE Annotated Mild CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc2c(c1)NC(=O)CO2)[n+]1ccc(N(C)C)cc1 ZINC000205899305 IE Annotated Reactive O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063656 IE Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063700 IE Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063736 IE Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063822 IE Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063888 IE Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063912 IE Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206064058 IE Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065749 IE Annotated Anodyne CC(C)(O)[C@@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206127750 IE Annotated Anodyne CC(C)(O)[C@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206127778 IE Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]12 ZINC000206393550 IE Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]12 ZINC000206393583 IE Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCN3C(C(=O)Nc4ccccc4)=COC3=NC2=O)cc1 ZINC000206394840 IE Annotated Anodyne O=C([C@@H]1CCCO1)N1CCC(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1 ZINC000206492249 IE Annotated Anodyne O=C([C@H]1CCCO1)N1CCC(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1 ZINC000206492287 IE Annotated Anodyne CC1(C)OB(c2ccc(N(CCBr)CCOS(C)(=O)=O)cc2)OC1(C)C ZINC000207145358 IE Annotated Reactive CC(C)CCN(Cc1ncc(Cl)n1C)[C@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@H]1N ZINC000207971901 IE Annotated Anodyne CC(C)CCN(Cc1ncc(Cl)n1C)[C@@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@H]1N ZINC000207971943 IE Annotated Anodyne CC(C)(C)[Si](O[C@@H](C1OCCO1)[C@@H]1CO[S@@](=O)O1)(c1ccccc1)c1ccccc1 ZINC000208164657 IE Annotated Reactive CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@H]1N ZINC000209984524 IE Annotated Anodyne CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@H]1N ZINC000209984564 IE Annotated Anodyne CS(=O)(=O)N[C@@H](c1ccc(CNC[C@H]2COc3cccnc3O2)cc1)C(F)(F)F ZINC000210001978 IE Annotated Anodyne C[C@]12Cc3[nH]nc(C(=O)Nc4cnn([C@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@@H]1C2 ZINC000210989722 IE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCC(=O)c4cc(OC)c(OC)cc4NC(=O)[C@@H]3C[C@H]12 ZINC000211239340 IE Annotated Anodyne C/C(=C\COc1ccc(CCNC(=O)/C=C\S(C)(=O)=O)cc1)C1=CC(=O)C(C)(C)O1 ZINC000213221286 IE Annotated Mild C/C(=C/COc1ccc(CCNC(=O)/C=C\S(C)(=O)=O)cc1)C1=CC(=O)C(C)(C)O1 ZINC000213221350 IE Annotated Mild C/C(=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1)C1=CC(=O)C(C)(C)O1 ZINC000213221415 IE Annotated Mild CN1CCN(c2nc(N/N=C/c3ccc(O)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000021964849 IE Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C2CC2)no1 ZINC000215759398 IE Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nc(C2CC2)no1 ZINC000215767500 IE Annotated Mild CO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)C[C@@H]1CN ZINC000217114917 IE Annotated Mild CO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)C[C@H]1CN ZINC000217114937 IE Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(COC)c2ccc(Br)cc21 ZINC000219011741 IE Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(COC)c2ccc(Br)cc21 ZINC000219014332 IE Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](C(=O)N(C)C)CN1 ZINC000219014427 IE Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc32)[C@@H](C(=O)N(C)C)CN1 ZINC000219018794 IE Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(C)(F)F)cc32)[C@@H](CN2CCCC2=O)CN1 ZINC000219025409 IE Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C(=O)c3ccccc3)cc21 ZINC000219028422 IE Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCN(c4nc5cc(C#N)c(C)cc5[nH]4)CC3)c2c1 ZINC000219133203 IE Annotated Mild CN(C)C[C@@H]1CCCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C1 ZINC000219297523 IE Annotated Mild CN(C)C[C@H]1CCCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C1 ZINC000219297549 IE Annotated Mild CC(C)N1CCCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000219301305 IE Annotated Mild CC(C)(C)N1CCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000219301346 IE Annotated Mild N#C[C@H](Cc1ccc(N2CCCN3CCC[C@@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219301384 IE Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(C[C@@H]3CCOC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219308046 IE Annotated Mild N#C[C@H](Cc1ccc(-c2cnn(C[C@H]3CCOC3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219308074 IE Annotated Mild N#C[C@H](Cc1ccc(C2CCN([C@@H]3CCOC3)CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219312644 IE Annotated Mild N#C[C@H](Cc1ccc(C2CCN([C@H]3CCOC3)CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219312675 IE Annotated Mild N#C[C@H](Cc1ccc([C@@H]2CCN3CCOC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219318083 IE Annotated Mild CC(C)OCc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219318121 IE Annotated Mild N#C[C@H](Cc1ccc([C@H]2CCN3CCOC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219318781 IE Annotated Mild N#Cc1ccc2c(c1)[nH]c(=O)c1cc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)cc12 ZINC000219322098 IE Annotated Mild N#Cc1ccc2c(c1)[nH]c(=O)c1cc(C[C@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)cc12 ZINC000219322127 IE Annotated Mild N#C[C@H](Cc1ccc([C@@H]2CCCN([C@@H]3CCOC3)C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322667 IE Annotated Mild N#C[C@H](Cc1ccc([C@H]2CCCN([C@@H]3CCOC3)C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322692 IE Annotated Mild N#C[C@H](Cc1ccc(C2=CCN([C@@H]3CCOC3)CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219323025 IE Annotated Mild N#C[C@H](Cc1ccc(C2=CCN([C@H]3CCOC3)CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219323054 IE Annotated Mild COC(=O)c1ccc2[nH]c(=O)c3cc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)ccc3c2c1 ZINC000219325123 IE Annotated Mild COC(=O)c1ccc2[nH]c(=O)c3cc(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)ccc3c2c1 ZINC000219325152 IE Annotated Mild C=CC(=O)N1C[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@H](OC)C1 ZINC000219347145 IE Annotated Anodyne Cn1nccc1[C@@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2 ZINC000219405744 IE Annotated Mild Cn1nccc1[C@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2 ZINC000219405832 IE Annotated Mild Cc1nnc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](C)(F)CO3)o1 ZINC000219410105 IE Annotated Mild Cc1nnc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](C)(F)CO3)o1 ZINC000219410187 IE Annotated Mild Cc1nnc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](C)(F)CO3)o1 ZINC000219410278 IE Annotated Mild Cc1nnc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](C)(F)CO3)o1 ZINC000219410358 IE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](C)(F)CO3)no1 ZINC000219445106 IE Annotated Mild Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](C)(F)CO3)no1 ZINC000219445180 IE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](C)(F)CO3)no1 ZINC000219445243 IE Annotated Mild Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](C)(F)CO3)no1 ZINC000219445326 IE Annotated Mild Cc1nnc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)o1 ZINC000219448065 IE Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3ccccn3)cc1-2 ZINC000219460191 IE Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(F)(F)CO2)c1ncccn1 ZINC000219474172 IE Annotated Mild Cc1nnc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)o1 ZINC000219475612 IE Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1[C@H](O)c1ccn[nH]1 ZINC000219482123 IE Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1[C@@H](O)c1ccn[nH]1 ZINC000219482201 IE Annotated Mild COCCNCc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219493910 IE Annotated Mild Cn1cncc1[C@@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219494198 IE Annotated Mild Cn1cncc1[C@H](O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219494259 IE Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C2CC2)C1=O ZINC000219510877 IE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)no1 ZINC000219513941 IE Annotated Mild CN1CC[C@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C2CC2)C1=O ZINC000219532393 IE Annotated Mild CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](NC[C@H]2CCCO2)CC(C)(C)O3)CC1 ZINC000022027549 IE Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](NC[C@H]2CCCO2)CC(C)(C)O3)CC1 ZINC000022027551 IE Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](NC[C@@H]2CCCO2)CC(C)(C)O3)CC1 ZINC000022027553 IE Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](NC[C@@H]2CCCO2)CC(C)(C)O3)CC1 ZINC000022027556 IE Annotated Anodyne CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CN1CCOCC1 ZINC000220009189 IE Annotated Mild CC(C)N(C)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O ZINC000220052840 IE Annotated Anodyne CC(C)N(C)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O ZINC000220052913 IE Annotated Anodyne COCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220167203 IE Annotated Mild COCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220167275 IE Annotated Mild Cn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220173486 IE Annotated Anodyne Cn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)cn1 ZINC000220173543 IE Annotated Anodyne CC(C)(O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220177030 IE Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220177091 IE Annotated Mild CC[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220181967 IE Annotated Mild CC[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220182032 IE Annotated Mild CC[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220182099 IE Annotated Mild CC[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220182158 IE Annotated Mild O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cn[nH]c3)ccc1-2 ZINC000220186514 IE Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cn[nH]c3)ccc1-2 ZINC000220186582 IE Annotated Anodyne CC(C)(N)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220192208 IE Annotated Mild CC(C)(N)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220192281 IE Annotated Mild CCN(CC)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O ZINC000220212223 IE Annotated Anodyne CCN(CC)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O ZINC000220212291 IE Annotated Anodyne C=CC(=O)N1C[C@H](COC)[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)C1 ZINC000220434902 IE Annotated Anodyne O=C(c1cc(-c2cn[nH]n2)ccn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 ZINC000220556969 IE Annotated Anodyne COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4nc(C(=O)O)cs4)CC3)c2c1 ZINC000220769751 IE Annotated Anodyne COC(=O)c1csc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)n1 ZINC000220792638 IE Annotated Anodyne O=C(c1ncccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221055724 IE Annotated Anodyne CC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]([C@H]2COC(C)(C)O2)O[P@@]1(=O)c1ccccc1 ZINC000221138729 IE Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(C(C)(F)F)cc32)[C@@H](CN2CCCC2=O)CN1 ZINC000221258679 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F ZINC000221343966 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)(F)C3)n2)cc1OC(F)F ZINC000221359636 IE Annotated Anodyne COC(=O)[C@]1(Cc2ccc3c(c2)C[C@@H](O)C(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1 ZINC000221398213 IE Annotated Anodyne Cc1ccc(CC2CCN(c3c(NS(=O)(=O)c4c(C)noc4C)c(=O)c3=O)CC2)cc1 ZINC000221806450 IE Annotated Anodyne in-vitro CS(=O)(=O)N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000221845733 IE Annotated Mild N#C[C@@H]1C[C@H](C(=O)NC2COC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221864833 IE Annotated Mild COc1ccc2[nH]nc(C(=O)NCC3CCN(CCN4C[C@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000221875650 IE Annotated Anodyne O=c1c(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)coc2ccc(O)cc12 ZINC000222047367 IE Annotated Mild CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)N3CCOCC3)CC2)n1 ZINC000222659599 IE Annotated Anodyne CS(=O)(=O)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222983136 IE Annotated Mild Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CNc3cc(N)ncn3)c2F)cn1 ZINC000224565317 IE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CNc3cc(N)ncn3)c2F)cn1 ZINC000224565370 IE Annotated Anodyne Nc1cnc(NC[C@@H](O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 ZINC000224578318 IE Annotated Anodyne Nc1cnc(NC[C@H](O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 ZINC000224578365 IE Annotated Anodyne Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)CCN3CCOCC3)cc2F)cn1 ZINC000224703775 IE Annotated Anodyne C[C@@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1 ZINC000224710742 IE Annotated Mild C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1 ZINC000224737587 IE Annotated Mild Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@@H]4C[C@H]3CN4)cc2F)cn1 ZINC000224748105 IE Annotated Anodyne C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1 ZINC000224761525 IE Annotated Mild Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCNC3=O)cc2F)cn1 ZINC000224769508 IE Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)CCN3CCOCC3)cc2F)cn1 ZINC000224770342 IE Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCNC3=O)cc2F)cn1 ZINC000224777409 IE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCS(=O)(=O)CC3)cc2F)cn1 ZINC000224779845 IE Annotated Anodyne C[C@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1 ZINC000224795648 IE Annotated Mild C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1 ZINC000224803588 IE Annotated Mild C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1 ZINC000224807650 IE Annotated Mild Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCS(=O)(=O)CC3)cc2F)cn1 ZINC000224814681 IE Annotated Anodyne COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1C ZINC000022851194 IE Annotated Anodyne COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1C ZINC000022851196 IE Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCc3cc4n(n3)CCCO4)nccc2c1 ZINC000225061028 IE Annotated Anodyne O=C(NCCCN1CCCCCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227271423 IE Annotated Anodyne O=S(=O)(NCc1nnc2n1CCN(Cc1ccccc1Cl)CC2)c1ccccc1 ZINC000023129939 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000230065614 IE Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000230065621 IE Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000230065624 IE Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@@]65O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000230065629 IE Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000230074878 IE Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000230074882 IE Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)(C(=O)[C@@]65O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000230074887 IE Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)(C(=O)[C@@]65O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000230074892 IE Annotated Anodyne in-man COc1cc(C)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(O)c1 ZINC000230094387 IE Annotated Anodyne in-man COc1cc(C)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(O)c1 ZINC000230094392 IE Annotated Anodyne in-man COc1cc(C)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(O)c1 ZINC000230094395 IE Annotated Anodyne in-man COc1cc(C)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(O)c1 ZINC000230094524 IE Annotated Anodyne in-man CCN(C)Cc1ccc(N2CCC(NS(=O)(=O)c3ccc4c(c3)CCO4)CC2)nc1 ZINC000230561223 IE Annotated Anodyne CC(=O)OC[C@@]12[C@@H](O)C(=O)[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1 ZINC000238731072 IE 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]1C(=O)[C@H]3OC(C)=O ZINC000238731361 IE Annotated Mild COc1cc(C(=O)O[C@H]2CCN3C[C@@H]4C[C@@H](CN5C(=O)CCC[C@@H]45)[C@H]3C2)cc(O)c1OC ZINC000238732386 IE Annotated Anodyne CC(=O)OCc1c(O)c(C(=O)O)c(C=O)c2c1OC(=O)c1c(C)cc(O)c(C=O)c1O2 ZINC000238732584 IE Annotated Anodyne C=C1[C@@H](C)CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@H]4C)[C@@H](OC(C)=O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@@H]12 ZINC000238733313 IE Annotated Mild C=CCC1=CC(OC)(OC)C(=O)[C@@](OC)([C@@]2(OC)[C@]3(CC=C)C=C(OC)C(=O)[C@@]32OC)C1 ZINC000238735334 IE Annotated Mild O=C1CC[C@]23/C=C/C(=O)NCCCNCCCCNC(=O)/C=C/c4ccc(c2c4)O[C@@H]3C1 ZINC000238736505 IE Annotated Anodyne C=C1[C@H](O)C[C@@H]([C@@H](C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@@H]2[C@H]1C=C[C@@]2(C)O ZINC000238736552 IE Annotated Mild COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(OC)c1C2=O)[C@@H](CCOC(C)=O)[C@H](O)O3 ZINC000238737417 IE Annotated Clean CC(=O)O[C@H]1CC(C)(C)[C@H]2[C@@H](O)C[C@@]34C[C@@H](C[C@H]5O[C@]53[C@]2(C)[C@H]1OC(C)=O)[C@@H](C)C4=O ZINC000238737453 IE Annotated Anodyne CC(=O)OCCCNC(=S)CCNC(=S)CCNC(=S)c1ccc(O)cc1 ZINC000238737646 IE Annotated Anodyne COc1c(I)cc(CCNC=O)cc1I ZINC000238737674 IE Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@@]3([C@H]1OC(C)=O)[C@@H]2O ZINC000238737789 IE Annotated Mild O=C1OCCOCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c2ccc1cc2 ZINC000238738502 IE Annotated Anodyne CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@]24CCC[C@@](C)(C(=O)OC2)[C@@H]4[C@H](OC(C)=O)C[C@@]32CO2)CO1 ZINC000238738746 IE Annotated Anodyne COC(=O)C1=Cc2cc(OC)c(O)c(OC)c2[C@H](c2cc(OC)c(O)c(OC)c2)[C@H]1CO ZINC000238739161 IE Annotated Anodyne C/C1=C/C[C@H]2[C@](C)(CC/C(C)=C3/OC(=O)[C@H]4[C@@H]3[C@@H]1O[C@@]4(C)O)OC(=O)C(=O)[C@]2(O)C(C)C ZINC000238739254 IE Annotated Anodyne C=C1C(=O)C=C[C@H]2[C@@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)O[C@]3(CC[C@]21C)COC(=O)C3 ZINC000238739447 IE Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]1C[C@H]1[C@@H]2[C@]23[C@@H](O)CCC(C)(C)[C@H]2[C@H](O)[C@@]1(O)O[C@@H]3OCCCC ZINC000238740090 IE Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2O)[C@]1(C)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000238740834 IE Annotated Mild CC(=O)O[C@H]1[C@H](O[C@@]2(C)/C=C/[C@H](C(C)C)CC/C(C)=C/CC2)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000238740903 IE Annotated Anodyne C=C1[C@H](OC(C)=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](OC(C)=O)[C@@H]1C(C)(C)C=CC2=O ZINC000238741050 IE Annotated Mild C=C1C(=O)O[C@H]2[C@@H]1[C@H](OCC(C)C)[C@H]1[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]1(C)[C@H]2OC(C)=O ZINC000238741151 IE Annotated Mild COC(=O)[C@@H]1C[C@@]23C=CCN2CC[C@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@@]12CC3 ZINC000238741156 IE 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](O)[C@]3(C)C(=O)OC)[C@H]1C ZINC000238741409 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@H](OC(C)=O)C[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238741516 IE Annotated Mild COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@H]3C[C@H]12 ZINC000238741517 IE Annotated Anodyne CCOC[C@@H]1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238741726 IE Annotated Anodyne C=C1[C@H]2CC[C@H]3[C@]45CO[C@H](CC4=O)C(C)(C)[C@H]5[C@H](OC(C)=O)C(=O)[C@@]3(C2)[C@@H]1OC(C)=O ZINC000238742447 IE Annotated Mild CC(=O)O[C@H]1CC/C(C)=C(/Cl)[C@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](O)[C@H]2[C@@H](C)C(=O)C=C[C@]12C ZINC000238742719 IE Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@H](Cc3occc3[C@@]2(C)O)[C@@]2(C)C(=O)C[C@H](C)[C@@]3(C)O[C@]132 ZINC000238744038 IE Annotated Anodyne COc1c2c(cc(CCN(C)C)c1C(=O)C(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2 ZINC000238744623 IE Annotated Clean 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](O)C(C)(C)[C@H]1[C@@H](OC(C)=O)C3 ZINC000238744642 IE Annotated Mild COC(=O)C1=CO[C@@H](OC(C)=O)[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(COC(C)=O)OC(C)=O)C1(C)C ZINC000238745239 IE Annotated Anodyne CO[C@H]1C=C(CO)[C@H]2C1=C(COC(=O)CC(C)C)[C@H](OC)O[C@@H]2OC(=O)CC(C)C ZINC000238745261 IE Annotated Anodyne C[C@H]1CCC(=O)[C@@H]2[C@@H](O)[C@@]3(C(=O)O[C@H]4O[C@]43C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C ZINC000238745638 IE Annotated Anodyne COc1c2c(c(OC)c3c1[C@@]1(O)c4ccccc4N[C@H]1O3)[C@@]1(O)c3ccccc3N[C@H]1O2 ZINC000238745723 IE Annotated Anodyne C=C1CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@H]4C)[C@@H](OC(C)=O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@H]2C1=C ZINC000238746889 IE Annotated Mild C=C1C(=O)[C@]23CC(=O)[C@@H]4C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]4(C)[C@@H]2[C@@H](O)C[C@H]1C3 ZINC000238747327 IE Annotated Mild C=C1[C@H](O)C[C@@H]([C@@H](C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@H]2[C@H]1C=C[C@]2(C)O ZINC000238747645 IE Annotated Mild CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)[C@@H](OC(C)=O)[C@H](C)C(=O)O[C@H]2[C@@H]1C ZINC000238747856 IE Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@]23CC(=O)O[C@H](C2)[C@](C)(O)[C@@](C)(COC(=O)c2ccccc2)[C@@]13O ZINC000238748026 IE Annotated Anodyne COC(=O)[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC/C(=C\C(=O)NCCN(C)C)[C@H](C)[C@H]3C(=O)C[C@H]21 ZINC000238748085 IE Annotated Anodyne C/C=C1\CN(C)CC[C@@]23C(=O)C[C@@H]1[C@@H](CO)[C@@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 ZINC000238750201 IE Annotated Anodyne COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000238750555 IE Annotated Anodyne COC(=O)/C=C(\C)C1=N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238750808 IE Annotated Anodyne C[C@H](O)[C@@H](C)C(=O)O[C@H](C)C/C=C\C=C\[C@H]1CC[C@@]2(C[C@@H]3OC(=O)[C@@](C)(CO)[C@@H]3O2)O1 ZINC000238750843 IE Annotated Anodyne CC(=O)Cc1cc(O)cc(O)c1[C@@H]1[CH][C@@H](C)[CH][C@@H]2O[C@@H]3[CH][C@H](O)[CH][C@@H]4[CH][C@H](C)N[C@@H]([C@H]43)[C@H]21 ZINC000238751080 IE Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC[C@@]2(CO2)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)CC(C)C)C[C@@]12C ZINC000238751175 IE Annotated Mild CNCCOC(=O)/C=C1\CC[C@@H]2[C@@H](C(=O)C[C@H]3[C@@](C)(C(=O)OC)[C@@H](O)CC[C@]23C)[C@H]1C ZINC000238751782 IE Annotated Anodyne CC(=O)O[C@H]1CC[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@@H]3C[C@]4(CO4)[C@]12[C@@H](OC(C)=O)O3 ZINC000238752637 IE Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4C[C@](C)(CO)C[C@H]4C=C(CO)[C@]23O)c(O)c1 ZINC000238753291 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@H](OC(C)=O)C[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238753479 IE Annotated Mild CC(=O)O[C@@H]1[C@H]2C(=O)c3ccoc3C[C@@H]2[C@@]2(C)C(=O)CCC(C)(C)[C@]2(O)[C@@H]1OC(C)=O ZINC000238753714 IE Annotated Anodyne CC[C@@H]1CCCNC(=O)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@@H]2O)CC[C@H](C)CCC1 ZINC000238753898 IE Annotated Anodyne O=C(O)c1cc(O)c2c3c(cc(O)c2n1)Oc1cccc(C(=O)C[C@H](O)C(=O)O)c1N3 ZINC000238754149 IE Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238754645 IE Annotated Mild C/C(=C\COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1)CC[C@H](O)C(C)(C)O ZINC000238754787 IE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3[C@@]4(CC[C@H](OC(=O)/C(=C\C)CO)[C@]3(C)C[C@H](OC(=O)C(C)C)[C@@H]12)CO4 ZINC000238754789 IE Annotated Mild CC(=O)O[C@@H]1[C@H]2[C@H](Cc3occc3[C@@]2(C)O)[C@]2(C)C(=O)CCC(C)(C)[C@@]2(O)[C@@H]1OC(C)=O ZINC000238755827 IE Annotated Anodyne C[C@H]1CCC(=O)[C@@H]2[C@@H](O)[C@]3(C(=O)O[C@@H]4O[C@@]43C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C ZINC000238756319 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC/C(C)=C/[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238756919 IE Annotated Mild CO[C@@H]1C=C(CO)[C@H]2C1=C(COC(=O)CC(C)C)[C@H](OC)O[C@@H]2OC(=O)CC(C)C ZINC000238757368 IE Annotated Anodyne CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@@]5(C)C[C@]3(CC[C@@H]12)O[C@@]41COC(=O)[C@H]1[C@H]5O ZINC000238758076 IE Annotated Anodyne C/C(=C\[C@@H](C)[C@@H]1OC(=O)[C@@H](C)[C@H](O)[C@H]1C)C(=O)c1c(O)c(C)cc2c1C(=O)C=C(N)C2=O ZINC000238758118 IE Annotated Mild CN[C@@H]1C[C@H](Oc2cc(C)cc3cnc4c(c23)C(=O)c2cccc(O)c2C4=O)O[C@H](C)[C@H]1O ZINC000238758836 IE Annotated Clean CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@]2(O)C(C)(C)CCC(=O)[C@]2(C)[C@@H]2Cc3occc3[C@](C)(O)[C@@H]12 ZINC000238758866 IE Annotated Anodyne COc1cc2c(c3c1OCO3)OC(=O)[C@@H]1[C@@H]2[C@H]2c3cc(OC)c4c(c3OC(=O)[C@@H]12)OCO4 ZINC000238759296 IE Annotated Anodyne C=C1[C@@]2(C)C[C@H]3[C@](C)(CC=C4C(=CC(=O)OC4(C)C)[C@]3(C)O)[C@@]13C(=O)O[C@@H](C)[C@@]3(O)C2=O ZINC000238759333 IE Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)C3 ZINC000238760057 IE Annotated Mild C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 ZINC000238760131 IE Annotated Anodyne C/C=C1\CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 ZINC000238760144 IE Annotated Anodyne C=C(C)COC(=O)[C@H](NC(=O)[C@@H](OC(=O)[C@@H](NC=O)[C@@H](C)CC)C(C)C)[C@@H](C)CC ZINC000238760436 IE Annotated Mild C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)O[C@@H]2CCC(C)(C)[C@H]4[C@H](OC(C)=O)OC[C@@]324)[C@@H]1OC(C)=O ZINC000238761082 IE Annotated Mild CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@]24CCC[C@](C)(C(=O)OC2)[C@@H]4[C@H](OC(C)=O)C[C@@]32CO2)CO1 ZINC000238761172 IE Annotated Anodyne C[C@@](O)(CCCCCCCCCCCCC[C@@H]1O[C@H](O)[C@@H](N)[C@H](O)[C@H]1O)CCC(=O)O ZINC000238761583 IE Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]([C@@H]4O[C@@H]42)[C@]24CCCC(C)(C)[C@H]2[C@H](OC(C)=O)[C@@]3(O)OC4)[C@@H]1OC(C)=O ZINC000238761640 IE Annotated Mild C=CC[C@]12CC(=O)[C@@H](OC(C)=O)[C@](OC)([C@H]1O)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C ZINC000238761802 IE Annotated Mild CC(=O)OCC1=C2[C@H](OC(=O)C/C=C(\C)O)C[C@H](C)C(=O)CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O ZINC000238761972 IE Annotated Anodyne COc1cc2c3c(c1OC)OC[C@@H](C)N3[C@@H]1C[C@@H]3OC(=O)C[C@@]34CCCN3CC[C@@]21[C@H]34 ZINC000238762267 IE Annotated Clean C[C@@H]1[C@@H](c2ccc(OCO)c(OCO)c2)O[C@H](c2ccc(OCO)c(OCO)c2)[C@H]1C ZINC000238762406 IE Annotated Anodyne CC(=O)O[C@H]1C2=C(C(=O)[C@H](OC(C)=O)[C@@]3(C[C@H]3C)C2=O)[C@@]2(C)CCC(C)=C(C)[C@@H]2[C@@H]1O ZINC000238762456 IE Annotated Mild C=C1[C@@H](O)C[C@H]2C(=C)[C@H](O)C[C@@H]([C@@H](C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@H]12 ZINC000238762911 IE Annotated Mild CC(=O)OCC1=C2[C@H](OC(=O)C/C=C(/C)O)C[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O ZINC000238763230 IE Annotated Anodyne COC(=O)N1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@](CO)(C(=O)OC)C5)[C@@H]43 ZINC000238763281 IE Annotated Anodyne CC[C@H]1CCCCCC[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)[C@H](C)C(=O)NCCC1 ZINC000238763505 IE Annotated Anodyne C=C1N[C@@H]([C@H](C)CC)C(=O)NCCc2ccc(OC)c(c2)C[C@H](N)C(=O)N[C@@H]1[C@@H](C)CC ZINC000238763858 IE Annotated Mild CC1(C)O[C@@H]2[C@@H](O)[C@@H](COC(=O)c3ccccc3)O[C@]2(COC(=O)c2ccccc2)O1 ZINC000238764322 IE Annotated Anodyne C=C(C(=O)OC)[C@H]1CC[C@](C)(O)[C@@H]2CC[C@](C)(O2)[C@H](OC(C)=O)CC[C@@](C)(O)[C@H](O)C1 ZINC000238764946 IE Annotated Mild CNCCOC(=O)/C=C1/CC[C@H]2[C@@H](C(=O)C(=O)[C@@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238764958 IE Annotated Clean COc1c(S(C)(=O)=O)c2c3c4c(cc[n+](C)c1-3)c1cc(O)ccc1n4[C@H](NC(C)=O)C2 ZINC000238766301 IE Annotated Clean COc1ccc(CC(=O)O[C@H]2CC(C)=C3C(=O)C=C(CO)[C@@H]3[C@H]3OC(=O)[C@@H](C)[C@H]23)cc1 ZINC000238766356 IE Annotated Mild CO[C@@H]1C[C@@]2(CC[C@]3(O2)[C@]24CCC[C@](C)(C(=O)OC2)[C@@H]4[C@H](OC(C)=O)C[C@@]32CO2)CO1 ZINC000238767017 IE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12C[C@@H](C)CC[C@H]2O ZINC000238767258 IE Annotated Mild COc1ccc2c(c1OC)N(C)[C@@H]1N3C(=O)[C@]4(C)SS[C@@]3(C[C@]21Cl)C(=O)N4C ZINC000238767269 IE Annotated Reactive COC(=O)[C@@H]1[C@H]2C[C@H]3C4=Nc5cc(OC)c(OC)cc5[C@@H]4CCN3C[C@@H]2[C@H](C)O[C@H]1O ZINC000238767561 IE Annotated Anodyne CN1CCc2cc3c(cc2[C@@]12NC(=O)c1cc4c5c(ccc4c(O)c1C2=N)OCO5)OCO3 ZINC000238768774 IE Annotated Anodyne CC[C@H]1C(=O)c2cc(OC)c(OC)cc2[C@]2(C(=O)[C@]3(C(=O)OC)CCCC=C3[C@@H]2O)N1C ZINC000238769652 IE Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[C@@]2(C)/C=C/[C@H](C(C)C)CC/C(C)=C/CC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238769847 IE Annotated Anodyne C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 ZINC000238770246 IE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@H]3C[C@H]12 ZINC000238770296 IE Annotated Anodyne C=C1[C@H](OC(C)=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@H](CC1=O)C(C)(C)[C@H]2[C@H](OC(C)=O)C3=O ZINC000238770329 IE Annotated Mild 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]1O ZINC000238771355 IE Annotated Mild C=C(CO)C(=O)O[C@H]1CC[C@@]2(CO2)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)[C@H](C)CC)C[C@@]12C ZINC000238772263 IE Annotated Mild C=C1CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@@H]4C)[C@H](OC(C)=O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@H]2C1=C ZINC000238773371 IE Annotated Mild C=C1C[C@@H]2[C@@]3(C)CCC(=O)CC3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C ZINC000238773765 IE Annotated Mild C=C1[C@@H](O)C[C@H]([C@@H](C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)[C@H](O)[C@H]2C(=C)[C@H](O)C[C@H]12 ZINC000238774366 IE Annotated Mild C[C@@]12O[C@@H](O)[C@@H](NC(=O)/C=C/CCCCCCCCCO)C[C@@]1(O)C(=O)C=C[C@H]2Cl ZINC000238775453 IE Annotated Reactive COC(=O)N1c2c(OC)cccc2[C@]23[C@@H]4CN5CCC[C@@](CC[C@@]12C(=O)OC)(CC4=O)[C@@H]53 ZINC000238775950 IE Annotated Anodyne COC(=O)N1c2ccccc2[C@@]23CC[N+]4([O-])CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@@H]34 ZINC000238776259 IE Annotated Bother C=C1[C@@H]2[C@H](O)[C@@H](OC(C)=O)C3=C(C(=O)[C@H](OC(C)=O)[C@@]4(C[C@H]4C)C3=O)[C@@]2(C)CC[C@H]1C ZINC000238776859 IE Annotated Mild CC(=O)CCC[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2OC(C)=O)CC1=O ZINC000238777391 IE Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@H](C(=O)C(=O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238778628 IE Annotated Clean CNCCOC(=O)/C=C1\CC[C@@H]2[C@H]([C@@H](O)C(=O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238778647 IE Annotated Anodyne CO[C@@]1(Cc2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](Cc3ccc4c(c3)OCO4)OC[C@@]21O ZINC000238778785 IE Annotated Anodyne COC(=O)[C@H]1C[C@@]23C=CCN2CC[C@]2(CC(=O)O)c4ccccc4N(CC(=O)O)[C@@]12CC3 ZINC000238779117 IE Annotated Anodyne CC(=O)OCC1=C2[C@H](OC(=O)C/C=C(\C)O)C[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O ZINC000238779184 IE Annotated Anodyne COc1cc2c(cc1OC)[C@]1([C@@H](O)c3ccc4c(c3[C@H]1OC(C)=O)OCO4)N(C)CC2 ZINC000238779191 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1C/C(C)=C\[C@@H](OC(C)=O)C[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238779196 IE Annotated Mild C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1O[C@H](C(=O)OC)[C@@H](CC(=O)O)C(=O)OC ZINC000238780151 IE Annotated Mild C/C=C1\CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 ZINC000238780175 IE Annotated Anodyne COC(=O)C1=C[C@]23CCCN4CC[C@@]5(c6cc(OC)ccc6N(C(=O)OC)[C@@]15CC2)[C@@]43O ZINC000238780843 IE Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)[C@@H](O)C[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@]1(O)C3 ZINC000238780854 IE Annotated Mild C/C(=C\CC/C(C)=C/COc1ccc([C@@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1)CO ZINC000238781562 IE Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](OC(=O)CCCCCCC(C)C)[C@@H](CO)O[C@H]1O ZINC000238782030 IE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(O[C@@H]3C[C@H]12)C(=O)Nc1cc(OC)c(OC)cc14 ZINC000238782546 IE Annotated Anodyne CO[C@H]1C=C(CO)[C@H]2C1=C(COC(=O)CC(C)C)[C@@H](OC)O[C@@H]2OC(=O)CC(C)C ZINC000238783644 IE Annotated Anodyne C[C@@]12O[C@@H](O)[C@@H](NC(=O)/C=C\CCCCCCCCCO)C[C@@]1(O)C(=O)C=C[C@H]2Cl ZINC000238784185 IE Annotated Reactive COc1ccc2c(c1OC)C(=O)O[C@]21ON(C)[C@H]2Cc3cc4c(c(OC)c3[C@H]21)OCO4 ZINC000238784400 IE Annotated Anodyne CNCCOC(=O)/C=C1/CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238784851 IE Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)C(=O)[C@@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238785232 IE Annotated Clean CC(=O)OCC1=C2[C@H](OC(=O)C/C=C(/C)O)C[C@H](C)C(=O)CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O ZINC000238785450 IE Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@@H]([C@H]32)[C@@](C)(C=O)[C@@]12O[C@](C)(O)CC2(C)C ZINC000238785952 IE Annotated Mild COC(C)(C)[C@H](O)COc1c2ccoc2c(OC[C@H](O)C(C)(C)O)c2oc(=O)ccc12 ZINC000238787154 IE Annotated Anodyne COC(=O)c1c2ccoc3c-2c2c1[C@@]1(O)C[C@]4(OC)N(C[C@H](C)C1=O)C[C@H](CC3)[C@]24C ZINC000238787459 IE Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238787503 IE Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C(C)=O)[C@H]32)[C@@H]1OC(C)=O ZINC000238787538 IE Annotated Anodyne C=C1CC[C@@]2(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)[C@@]45C[C@@H](C)[C@@H](OC(=O)[C@H](C)CC)[C@@]4(O5)[C@H]1[C@@H]23 ZINC000238788626 IE Annotated Mild CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](O)[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]12C ZINC000238788628 IE Annotated Anodyne C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1Cl ZINC000024765689 IE Annotated Reactive C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1Cl ZINC000024765696 IE Annotated Reactive Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@H]4C2=O)c1 ZINC000245227663 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N([C@H](C(=O)OC)C(C)C)C[C@@]34C=C[C@H]2O4)cc1 ZINC000245380933 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN([C@H](C(=O)OC)C(C)C)C(=O)[C@H]24)O3)cc1 ZINC000245380934 IE Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN([C@@H](C(=O)OC)C(C)C)C(=O)[C@H]24)O3)cc1 ZINC000245380935 IE Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 ZINC000248012550 IE Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000248012553 IE Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000248012557 IE Annotated Anodyne CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 ZINC000248012560 IE Annotated Anodyne CCCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 ZINC000002601836 IE Annotated Anodyne CCN(CC)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 ZINC000002602252 IE Annotated Anodyne Cc1c(-n2cc(C(=O)c3ccccc3O)cc(C#N)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000002644874 IE Annotated Mild CC(=O)Nc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NCCO)cc1 ZINC000002645624 IE Annotated Mild CC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000002661655 IE Annotated Anodyne CC(C)[C@H](C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2)N1C(=O)c2ccccc2C1=O ZINC000002661762 IE Annotated Anodyne Cc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCOCC4)c(=O)c3c2C)cc1F ZINC000002912127 IE Annotated Anodyne COc1ccccc1CNC(=O)c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002958874 IE Annotated Mild COc1ccccc1CNC(=O)c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002958876 IE Annotated Mild CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)NCCOC ZINC000002974296 IE Annotated Anodyne CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)NCCOC ZINC000002974297 IE Annotated Anodyne O=C(NCCCN1CCCCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250085843 IE Annotated Anodyne O=C(NCCCN1CCCCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250085849 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]4C2=O)CC1 ZINC000250469476 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(F)cc3)[C@H]4C2=O)CC1 ZINC000250469479 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(C)cc3)[C@H]4C2=O)CC1 ZINC000250478279 IE Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(CCCN5CCOCC5)C(=O)[C@H]24)O3)cc1 ZINC000250570850 IE Annotated Anodyne Oc1nc(=Cc2ccccn2)c(O)nc1=Cc1ccc(OCCCc2cccnc2)cc1 ZINC000253632746 IE Annotated Anodyne COc1ccc(C=c2nc(O)c(=Cc3ccc(SCCN(C)C)s3)nc2O)cc1 ZINC000253634338 IE Annotated Anodyne COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]3C/C(=C\COCC(=O)O)C[C@H]31)O2 ZINC000253634608 IE Annotated Anodyne N#Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cn2)c1N[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253639195 IE Annotated Mild N#Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cn2)c1N[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253639197 IE Annotated Mild CCCN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2[C@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 ZINC000253640996 IE Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000253649268 IE Annotated Reactive C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000253649272 IE Annotated Reactive COc1cc(C)cc2c1C(=O)[C@@H]1O[C@]1(c1c(C)cc3c(c1OC)C(=O)[C@@H]1O[C@H]1C3=O)C2=O ZINC000253664390 IE Annotated Clean COc1cc(C)cc2c1C(=O)[C@@H]1O[C@]1(c1c(C)cc3c(c1OC)C(=O)[C@H]1O[C@H]1C3=O)C2=O ZINC000253664394 IE Annotated Clean O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 ZINC000253671068 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccccc1)c1ccccc1 ZINC000253671073 IE Annotated Anodyne O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 ZINC000253671077 IE Annotated Anodyne CN1CCN(c2nc(NN=Cc3ccc(O)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000253681831 IE Annotated Mild Cc1cn(CO[C@@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(O)nc1=O ZINC000253691688 IE Annotated Bother Cc1cn(CO[C@@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(O)nc1=O ZINC000253691692 IE Annotated Bother CCOC(=O)C(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253695203 IE Annotated Reactive CCOC(=O)C(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253695215 IE Annotated Reactive O=C(NNC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cccs2)CC1)c1cccs1 ZINC000253712069 IE Annotated Reactive Oc1nc(=Cc2nccs2)c(O)nc1=Cc1ccc(OCCCc2cccnc2)cc1 ZINC000253859713 IE Annotated Anodyne CN(C)CCSc1ccc(C=c2nc(O)c(=Cc3ccc(N(C)C)cc3)nc2O)s1 ZINC000253930730 IE Annotated Clean CCOC(=O)C(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253930782 IE Annotated Reactive CCOC(=O)C(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253930785 IE Annotated Reactive C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1)=C/c1ccccc1 ZINC000253982842 IE Annotated Reactive O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C=C[C@@]2(CNS(=O)(=O)c2ccccc2)O1 ZINC000254036077 IE Annotated Anodyne C#Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C(=O)N(c6cccc(C#C)c6)C(=O)[C@H]45)[C@H]3C2=O)c1 ZINC000254046556 IE Annotated Mild C#Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3[C@H]3C(=O)N(c4cccc(C#C)c4)C(=O)[C@@H]23)c1 ZINC000254046561 IE Annotated Mild C#Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(C#C)c3)C(=O)[C@H]42)c1 ZINC000254046566 IE Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N([C@H](C)c3ccccc3)C(=O)[C@H]12 ZINC000254071102 IE Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@@H]12 ZINC000254071103 IE Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N([C@H](C)c3ccccc3)C(=O)[C@@H]12 ZINC000254071104 IE Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N([C@@H](C)c3ccccc3)C(=O)[C@H]12 ZINC000254071105 IE Annotated Mild O=CN1CC[C@@]23C[C@H](O)CC[C@@H]2[C@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 ZINC000254075413 IE Annotated Anodyne O=CN1CC[C@@]23C[C@@H](O)CC[C@@H]2[C@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 ZINC000254075417 IE Annotated Anodyne O=CN1CC[C@@]23C[C@H](O)CC[C@H]2[C@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 ZINC000254075419 IE Annotated Anodyne Cc1ccccc1N1C(=O)[C@H]2C[C@@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C=C[C@H]2C1=O ZINC000254079311 IE Annotated Anodyne Cc1ccccc1N1C(=O)[C@H]2C[C@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C=C[C@H]2C1=O ZINC000254079315 IE Annotated Anodyne C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@H]1[C@@H]1C(OC)(OC)C(=O)C(OC)=C[C@]12CC=C ZINC000254081029 IE Annotated Mild C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@H]1[C@H]1C(OC)(OC)C(=O)C(OC)=C[C@]12CC=C ZINC000254081030 IE Annotated Mild C=CCC1=C[C@@]2(OC)C(=O)C(OC)(OC)[C@H]1[C@H]1C(OC)(OC)C(=O)C(OC)=C[C@@]12CC=C ZINC000254081031 IE Annotated Mild Cc1ccc2c(c1)/C(=c1/sc(=Cc3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2 ZINC000254103727 IE Annotated Anodyne Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2C)cc1 ZINC000254114792 IE Annotated Mild Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2C)cc1 ZINC000254114802 IE Annotated Mild Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2C)cc1 ZINC000254114804 IE Annotated Mild Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2C)cc1 ZINC000254114807 IE Annotated Mild CCN1C[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 ZINC000254114852 IE Annotated Anodyne CCN1C[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 ZINC000254114854 IE Annotated Anodyne CCN1C[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 ZINC000254114857 IE Annotated Anodyne CCN1C[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 ZINC000254114861 IE Annotated Anodyne CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]12 ZINC000254128175 IE Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 ZINC000254128182 IE Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 ZINC000254128187 IE Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]12 ZINC000254128192 IE Annotated Mild N#Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(C#N)c3)C(=O)[C@H]42)c1 ZINC000254130820 IE Annotated Mild N#Cc1cccc(N2C(=O)[C@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(c3cccc(C#N)c3)C(=O)[C@@H]42)c1 ZINC000254130824 IE Annotated Mild N#Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3[C@H]3C(=O)N(c4cccc(C#N)c4)C(=O)[C@@H]23)c1 ZINC000254130827 IE Annotated Mild N#Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C(=O)N(c6cccc(C#N)c6)C(=O)[C@H]45)[C@H]3C2=O)c1 ZINC000254130831 IE Annotated Mild Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000254133012 IE Annotated Mild Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000254133014 IE Annotated Mild Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000254133016 IE Annotated Mild C=CCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCC)cc1OC ZINC000254141581 IE Annotated Mild C=CCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC)cc1OC ZINC000254141585 IE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000254291038 IE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000254291045 IE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000254291050 IE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000254291054 IE Annotated Mild COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254300717 IE Annotated Mild COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254300718 IE Annotated Mild COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254300719 IE Annotated Mild COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254300720 IE Annotated Mild COc1ccccc1N1C(=NC(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254351290 IE Annotated Mild COc1ccccc1N1C(=NC(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254351294 IE Annotated Mild COc1ccccc1N1C(=NC(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254351296 IE Annotated Mild COc1ccccc1N1C(=NC(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254351298 IE Annotated Mild COc1ccc(CN2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254397197 IE Annotated Mild CCN(CC)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254405910 IE Annotated Mild CCN(CC)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254405912 IE Annotated Mild CCN(CC)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254405914 IE Annotated Mild CCN(CC)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254405916 IE Annotated Mild COc1ccc(CN2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254415703 IE Annotated Mild COc1ccc(CN2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254415706 IE Annotated Mild COc1ccc(CN2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254415710 IE Annotated Mild CCOC(=O)C1=c2sc(=Cc3cccs3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccs1 ZINC000254481578 IE Annotated Reactive CCOC(=O)C1=c2sc(=Cc3cccs3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccs1 ZINC000254481579 IE Annotated Reactive COCCn1c(=NC(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 ZINC000254482038 IE Annotated Bother O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 ZINC000254484749 IE Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 ZINC000254484751 IE Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 ZINC000254484753 IE Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 ZINC000254484755 IE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000254491811 IE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000254491813 IE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000254491815 IE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000254491816 IE Annotated Mild CCCn1c(=NC(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000254567209 IE Annotated Bother COc1ccc(Cl)cc1N1C(=NC(=O)[C@@H]2CCCO2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254626482 IE Annotated Mild COc1ccc(Cl)cc1N1C(=NC(=O)[C@@H]2CCCO2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254626484 IE Annotated Mild COc1ccc(Cl)cc1N1C(=NC(=O)[C@@H]2CCCO2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254626486 IE Annotated Mild COc1ccc(Cl)cc1N1C(=NC(=O)[C@@H]2CCCO2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254626488 IE Annotated Mild CN(C)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254750593 IE Annotated Mild CN(C)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254750595 IE Annotated Mild CN(C)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254750597 IE Annotated Mild CN(C)c1ccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254750599 IE Annotated Mild COc1cccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254760541 IE Annotated Mild COc1cccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254760542 IE Annotated Mild COc1cccc(N2C(=NC(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254760543 IE Annotated Mild COc1cccc(N2C(=NC(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254760544 IE Annotated Mild COc1cccc2sc(=NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c12 ZINC000254877744 IE Annotated Anodyne Cc1c(N2C[C@H](F)[C@@H](C3(N)CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000025969369 IE Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccncc3)s2)CCN1CCNc1ccncc1 ZINC000025986516 IE Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccccn3)s2)CCN1CCNc1ccncc1 ZINC000025986681 IE Annotated Anodyne O=C1C=C2[C@H]3[C@@H]4C5=CC(=O)O[C@]56C[C@H]([C@@H]4[C@H]3[C@H]3C[C@]2(O1)[C@@H]1CCCCN13)N1CCCC[C@H]16 ZINC000255208220 IE Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](OC)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O ZINC000255209538 IE Annotated Anodyne CO[C@H]1C[C@@]2(OC)[C@H]3[C@@H](OC)[C@@H]1C[C@H]3[C@@]13[C@@H](OC)CC[C@@]4(C)CN[C@@H]1[C@@H]2[C@H](OC(C)=O)[C@@H]34 ZINC000255218105 IE Annotated Anodyne CC1=CC(=O)O[C@H]1CC[C@@]1(C)O[C@]2(C[C@@H](C)CO2)[C@@]2(O)[C@H](C)[C@H]3[C@@H](O)C[C@H](C)[C@H]3C(=O)[C@@H]12 ZINC000255219737 IE Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](OC(C)=O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6OC ZINC000255226874 IE Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OOC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@@H]6OC(C)=O ZINC000255244606 IE Annotated Reactive C=C1CO[C@]2(CC[C@@H]3[C@H]4CC[C@H]5[C@@H](CC=C6C[C@@H](O)CC[C@@]65O)[C@@H]4C[C@H]3O2)[C@H](O)[C@@H]1O ZINC000255256551 IE Annotated Mild COC(=O)C1=C2[C@]3(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 ZINC000255260266 IE Annotated Anodyne CO[C@H]1[C@H](OC)[CH][C@@H]2C[C@H](C)[C@](C)(O)C[C@@H]3[CH][C@@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]3[C@H]2[C@H]1OC ZINC000255262351 IE Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2CC[C@@H]3[C@H](C(=O)C[C@]4(C)C(C5=CC(=O)OC5)=CC[C@]34O)[C@@]2(C)C[C@@H]1O ZINC000255281895 IE Annotated Anodyne CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@]23C[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N4CCCC[C@@H]1[C@]42NC(=O)O3 ZINC000255287701 IE Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@](C)(CO)C[C@H]4C=C(CO)[C@]23O)c(O)c1 ZINC000257424786 IE Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@](C)(CO)C[C@H]4C=C(CO)[C@@]23O)c(O)c1 ZINC000257424787 IE Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 ZINC000257424788 IE Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@](C)(CO)C[C@@H]4C=C(CO)[C@]23O)c(O)c1 ZINC000257424789 IE Annotated Anodyne COc1cc(C)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(O)c1 ZINC000257492364 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000257670142 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@]3(C)CC[C@]2(C)CC1 ZINC000257670143 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000257670144 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@@]3(C)CC[C@]2(C)CC1 ZINC000257670145 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000257713645 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@]2(C)CC1 ZINC000257713649 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@]2(C)CC1 ZINC000257713653 IE Annotated Anodyne CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@@]2(C)CC1 ZINC000257713657 IE Annotated Anodyne CN(C)c1ncnc2c1nc(Br)n2Cc1cccc(NS(C)(=O)=O)c1 ZINC000026145977 IE Annotated Anodyne O=C(O)CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)O)CSC[C@@H]1c1cccs1 ZINC000026152755 IE Annotated Anodyne O=C(O)CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)O)CSC[C@H]1c1cccs1 ZINC000026152764 IE Annotated Anodyne O=C(O)CCC(=O)OCCN1C(=O)C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc21 ZINC000026158374 IE Annotated Mild CCOC(=O)CCCC(=O)N1CCC2(CC1)CCN(c1ccc(C(=N)NO)cc1)C2=O ZINC000026165811 IE Annotated Anodyne CN(C)/C=N/c1cc(Cl)cc2nc(N3CCN(C)CC3)c(N3CCN(C)CC3)nc12 ZINC000026170349 IE Annotated Mild N[C@@H]1CCN(c2cc(C(F)(F)F)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026182141 IE Annotated Anodyne N[C@H]1CCN(c2cc(C(F)(F)F)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026182146 IE Annotated Anodyne CCN(CC)CCn1c2cc(N3CCN(C)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026182396 IE Annotated Bother CC[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CCN(CC(=O)c4ccccc4)C3)S[C@H]12 ZINC000026247653 IE Annotated Anodyne CCN(CC)CCn1c2cc(N3CCC(O)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026247802 IE Annotated Bother COC(=O)[C@@H](C)N[P@@](=O)(OCC=C=Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 ZINC000026269723 IE Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCC=C=Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 ZINC000026269730 IE Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OCC=C=Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 ZINC000026269735 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4cc(N)cc5ccccc54)cc3)C[C@H]12 ZINC000026272111 IE Annotated Anodyne CCOP(=O)(OCC)C(=O)OC[C@@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)CS1 ZINC000026278147 IE Annotated Anodyne CCOP(=O)(OCC)C(=O)OC[C@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)CS1 ZINC000026278151 IE Annotated Anodyne CCOP(=O)(OCC)C(=O)OC[C@@H]1O[C@H](n2ccc(NC(C)=O)nc2=O)CS1 ZINC000026278158 IE Annotated Anodyne CCOP(=O)(OCC)C(=O)OC[C@H]1O[C@H](n2ccc(NC(C)=O)nc2=O)CS1 ZINC000026278164 IE Annotated Anodyne COC(=O)[C@@H](C)N[P@@](=O)(OC/C=C\Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 ZINC000026279105 IE Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OC/C=C\Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 ZINC000026279111 IE Annotated Anodyne COC(=O)[C@@H](C)N[P@](=O)(OC/C=C\Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 ZINC000026279117 IE Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OC/C=C\Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 ZINC000026279123 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4cccc(C(F)(F)F)c4)cc3)C[C@H]12 ZINC000026282928 IE Annotated Anodyne CSCc1ccc[n+](Cc2ccc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)cc2)c1 ZINC000026283971 IE Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3cccs3)CC[C@H]12)c1ccccc1 ZINC000026295913 IE Annotated Anodyne COC(=O)[C@@H]1[C@H](CO)C(=O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000026495922 IE Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC(Oc3ccccc3)CC2)c(C(=O)NO)c1OC ZINC000026499577 IE Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261087094 IE Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261087095 IE Annotated Anodyne CCNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261105029 IE Annotated Anodyne CCNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261105030 IE Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4C[C@@H]5C[C@H]4CO5)ncc3F)C2)cc1 ZINC000261110763 IE Annotated Anodyne [C-]#[N+]c1ccc(S(=O)(=O)NCC2CN(C[C@H](O)c3ccc4c(c3C)COC4=O)C2)cc1 ZINC000261112205 IE Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261115245 IE Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000261115253 IE Annotated Anodyne N#C[C@H](Cc1ccc(N2CCCN3CCC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000261131178 IE Annotated Mild CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CC[C@@](C)(O)C4)ncc3F)C2)cc1 ZINC000261144512 IE Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CC[C@](C)(O)C4)ncc3F)C2)cc1 ZINC000261144513 IE Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N1C[C@H]1C(=O)O ZINC000261146201 IE Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N1C[C@@H]1C(=O)O ZINC000261146202 IE Annotated Anodyne N#C[C@H](Cc1ccc([C@H]2CCCN([C@H]3CCOC3)C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000261153751 IE Annotated Mild N#C[C@H](Cc1ccc([C@@H]2CCCN([C@H]3CCOC3)C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000261153752 IE Annotated Mild [C-]#[N+]c1ccc(S(=O)(=O)N[C@@H]2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)C2)cc1 ZINC000261158719 IE Annotated Anodyne C[C@]12Cc3[nH]nc(C(=O)Nc4cnn([C@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@H]1C2 ZINC000261174436 IE Annotated Anodyne COc1cccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C[C@@]34C=C[C@H]2O4)c1OC ZINC000263590751 IE Annotated Anodyne COc1cccc(CNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5ccccc5)C(=O)[C@H]24)O3)c1OC ZINC000263590752 IE Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C[C@@]34C=C[C@H]2O4)c1OC ZINC000263590753 IE Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5ccccc5)C(=O)[C@H]24)O3)c1OC ZINC000263590754 IE Annotated Anodyne N#Cc1cccc(NC(=O)[C@H]2SC(=Nc3ccccc3)C(C(=O)N3CCOCC3)=C2N)c1 ZINC000263590794 IE Annotated Mild N#Cc1cccc(NC(=O)[C@@H]2SC(=Nc3ccccc3)C(C(=O)N3CCOCC3)=C2N)c1 ZINC000263590795 IE Annotated Mild C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1 ZINC000263592285 IE Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1 ZINC000263592286 IE Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@@H]1O ZINC000263600264 IE Annotated Clean C[C@@H]1O[C@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H](N)[C@H]1O ZINC000263600265 IE Annotated Clean O=C(O)C(=NC(=O)[C@@H](CS)CCc1ccccc1)c1ccc(Cn2cnnn2)s1 ZINC000263620375 IE Annotated Anodyne in-vitro CCn1c(CSc2nc(N)n[nH]2)nc2c1c(=O)nc(O)n2Cc1ccc(Cl)cc1 ZINC000263620542 IE Annotated Anodyne Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCCCCO)cc12 ZINC000263620641 IE Annotated Anodyne CCC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@@H](OC)C1 ZINC000263620727 IE Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1C(=O)CO ZINC000263621357 IE Annotated Anodyne COC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@H](O)[C@H]1CO)OCO3 ZINC000026503140 IE Annotated Anodyne CC(=O)O[C@H]1CCCN2[C@H]1C[C@@H](OC(C)=O)[C@@H](n1cnc3ccccc3c1=O)C2(C)C ZINC000026571360 IE Annotated Anodyne C[C@H](c1ccccc1)N1CCN(C[C@@H](O)Cn2cnc3c(-n4cccc4)ncnc32)CC1 ZINC000026575673 IE Annotated Anodyne C[C@@H](c1ccccc1)N1CCN(C[C@@H](O)Cn2cnc3c(-n4cccc4)ncnc32)CC1 ZINC000026575674 IE Annotated Anodyne C[C@H](c1ccccc1)N1CCN(C[C@H](O)Cn2cnc3c(-n4cccc4)ncnc32)CC1 ZINC000026575675 IE Annotated Anodyne C[C@@H](c1ccccc1)N1CCN(C[C@H](O)Cn2cnc3c(-n4cccc4)ncnc32)CC1 ZINC000026575676 IE Annotated Anodyne CCN(CC)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)s1 ZINC000026575977 IE Annotated Anodyne Cc1cccc([C@@H]2CC[C@@H](C(=O)O)N2C(=O)CNC(=O)[C@@H](S)Cc2ccc(O)cc2)c1 ZINC000026576100 IE Annotated Mild Cc1cccc([C@@H]2CC[C@H](C(=O)O)N2C(=O)CNC(=O)[C@@H](S)Cc2ccc(O)cc2)c1 ZINC000026576101 IE Annotated Mild Cc1cccc([C@H]2CC[C@H](C(=O)O)N2C(=O)CNC(=O)[C@@H](S)Cc2ccc(O)cc2)c1 ZINC000026576102 IE Annotated Mild CN(C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cccc(Cl)c3)[nH]c2=O)s1 ZINC000026576273 IE Annotated Anodyne CCOC(=O)CCCn1c(C(=O)OCC)nc2nc3cc(OC)c(OC)cc3cc2c1=O ZINC000026580096 IE Annotated Bother Nc1c(Cl)cc([C@@H](O)CN2CCN(CCn3nc(Cl)ccc3=O)CC2)cc1Cl ZINC000026637069 IE Annotated Anodyne Nc1c(Cl)cc([C@H](O)CN2CCN(CCn3nc(Cl)ccc3=O)CC2)cc1Cl ZINC000026637075 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)/N=C(\O)Nn1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)cc21 ZINC000026637434 IE Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Nn2c(=O)c(=O)[nH]c3cc(Cl)c(Cl)cc32)cc1 ZINC000026641098 IE Annotated Mild O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N/N=C/CN1C(=O)C=CC1=O ZINC000026652008 IE Annotated Reactive CC(=O)Nc1ccc([C@@H](O)CN2CCN(c3cnnc(O)c3Cl)CC2)cc1Cl ZINC000026664049 IE Annotated Anodyne CC(=O)Nc1ccc([C@H](O)CN2CCN(c3cnnc(O)c3Cl)CC2)cc1Cl ZINC000026664054 IE Annotated Anodyne COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CCC[C@@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000026670018 IE Annotated Anodyne Cc1ccc(=O)n([C@@H](/C(O)=N/S(=O)(=O)c2ccccc2)c2ccc3c(c2)OCO3)n1 ZINC000026721327 IE Annotated Mild Cc1ccc(=O)n([C@H](/C(O)=N/S(=O)(=O)c2ccccc2)c2ccc3c(c2)OCO3)n1 ZINC000026721333 IE Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cc(C[n+]5cccc(N)c5)ccc4c3)C[C@H]12 ZINC000026723112 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4ccc(C[n+]5ccc(N)cc5)cc4c3)C[C@H]12 ZINC000026724620 IE Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C[n+]4ccccc4N)c4ccccc4c3)C[C@H]12 ZINC000026725674 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cc(C[n+]5ccc(N)cc5)ccc4c3)C[C@H]12 ZINC000026725797 IE Annotated Anodyne COc1ccccc1OCCNCCCC(=O)N1CCCSc2c1cnn(C)c2=O ZINC000026728335 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C[n+]4cccc(N)c4)c4ccccc4c3)C[C@H]12 ZINC000026729818 IE Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C[n+]4ccc(N)cc4)c4ccccc4c3)C[C@H]12 ZINC000026731369 IE Annotated Anodyne COC(=O)c1ccc(C(=O)c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)cc1 ZINC000026731459 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cccc(C[n+]5ccccc5N)c4c3)C[C@H]12 ZINC000026731718 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(C[n+]5ccc(N)cc5)cccc4c3)C[C@H]12 ZINC000026732093 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cccc(C[n+]5ccc(N)cc5)c4c3)C[C@H]12 ZINC000026732273 IE Annotated Anodyne O=C(Cn1c(=O)c(O)nc2cc([N+](=O)[O-])c(-n3cccc3)cc21)NCCc1ccccc1 ZINC000026733850 IE Annotated Bother C[C@@H]1N[C@@H]2C[C@H]1N(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3-c1ccc(F)cc1F)C2 ZINC000026735146 IE Annotated Anodyne COC(=O)[C@H](CSC)NC(=O)c1cc(CNC[C@@H](N)CS)ccc1-c1ccccc1 ZINC000026817870 IE Annotated Mild CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CO)[C@@H](OC(=O)CC(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000026939605 IE Annotated Anodyne CC1(C)O[C@@H]2[C@H](O[C@@H]([C@@H](O)CO)[C@H]2OC(=O)CC(c2ccccc2)c2ccccc2)O1 ZINC000026939611 IE Annotated Anodyne CC1(C)O[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](OC(=O)CC(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000026939617 IE Annotated Anodyne CC1(C)O[C@@H]2[C@H](O[C@H]([C@@H](O)CO)[C@H]2OC(=O)CC(c2ccccc2)c2ccccc2)O1 ZINC000026939622 IE Annotated Anodyne Cc1cccc2[nH]c(CN(C)C(=O)c3ccc4c(c3)CN(C)C(=O)[C@H](CC(=O)O)N4)nc12 ZINC000026940556 IE Annotated Anodyne O=S1(=O)CCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000026941610 IE Annotated Anodyne CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026946108 IE Annotated Anodyne CO/N=C/Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4CCCN(C)[C@@H]4C3)c(F)c21 ZINC000026953895 IE Annotated Mild CN(C)CCC(=O)Nc1ccc(NC(=O)CCN(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000026972509 IE Annotated Clean COc1cccc(-c2nc3c(nc2-c2cccc(OC)c2)N(C)S(=O)(=O)N=C3N)c1 ZINC000026979700 IE Annotated Anodyne CN(C)CCNC(=O)c1ccc2c3c1nc1ccc([N+](=O)[O-])cc1c3[nH]n2CCN(C)C ZINC000026982158 IE Annotated Bother CC(=O)NCc1cccc(-c2csc(/N=C(\N)NCCNC(=O)c3ccccc3)n2)c1 ZINC000026987856 IE Annotated Mild CC(C)[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)CCC/C=C\CCC[C@H](CO)NC1=O ZINC000027188287 IE Annotated Anodyne N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000027193977 IE Annotated Anodyne N#Cc1cc2c(cc1N)n(O)c1ccc(/C=N/NC(=O)NCCc3ccccc3)cc1[n+]2=O ZINC000027215272 IE Annotated Anodyne CCCN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2[C@@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 ZINC000027306360 IE Annotated Anodyne CCCN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2[C@@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 ZINC000027306366 IE Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CC[C@H](C(=O)c3csc(CN4CCCC4)n3)[C@@H]21 ZINC000027307908 IE Annotated Anodyne Cc1cc(OCC2(/C=N/N=C(N)N)CC2)cc(OS(=O)(=O)c2ccccc2C#N)c1 ZINC000027316635 IE Annotated Mild Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2cccc3cccnc23)c1 ZINC000027320203 IE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CC=C(c4conc4C#N)CC3)c(F)c2)C(=O)O1 ZINC000027407345 IE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CC=C(c4oncc4C#N)CC3)c(F)c2)C(=O)O1 ZINC000027407353 IE Annotated Mild CC(=S)NC[C@H]1CN(c2ccc(-c3nnc(CS(C)(=O)=O)s3)c(F)c2)C(=O)O1 ZINC000027411016 IE Annotated Anodyne CC(=S)NNC[C@H]1CN(c2ccc(OCCN3CCSCC3)c(F)c2)C(=O)O1 ZINC000027411721 IE Annotated Clean C[C@H](O)C(=O)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 ZINC000027412738 IE Annotated Anodyne CC1(N)CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1 ZINC000027413107 IE Annotated Anodyne NC[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1c1ccc(N)cc1 ZINC000027413480 IE Annotated Anodyne NC[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1c1ccc(N)cc1 ZINC000027413485 IE Annotated Anodyne C[C@H](O)C(=O)N1CC=C(c2ccc(N3C[C@H](COc4cnsn4)OC3=O)cc2F)CC1 ZINC000027420780 IE Annotated Anodyne CC(C)CCC(=O)NC[C@H]1CN(c2ccc(N3CCS(=O)CC3)c(F)c2)C(=O)O1 ZINC000027424346 IE Annotated Anodyne CCCc1ccc(CCC(=O)c2c(O)cc(O[C@@H](C[C@@H](O)CO)C(=O)O)cc2O)cc1O ZINC000027424455 IE Annotated Anodyne CCCc1ccc(CCC(=O)c2c(O)cc(O[C@H](C[C@@H](O)CO)C(=O)O)cc2O)cc1O ZINC000027424460 IE Annotated Anodyne CCCc1ccc(CCC(=O)c2c(O)cc(O[C@@H](C[C@H](O)CO)C(=O)O)cc2O)cc1O ZINC000027424465 IE Annotated Anodyne CCCc1ccc(CCC(=O)c2c(O)cc(O[C@H](C[C@H](O)CO)C(=O)O)cc2O)cc1O ZINC000027424470 IE Annotated Anodyne N[C@@H]1CN[C@@H](CC(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccccc3c2)C1 ZINC000027425896 IE Annotated Anodyne CCCNC[C@@H](O)CNc1ccc(NC[C@@H](O)CCl)c2c1C(=O)c1ccccc1C2=O ZINC000027428642 IE Annotated Reactive CCCNC[C@H](O)CNc1ccc(NC[C@@H](O)CCl)c2c1C(=O)c1ccccc1C2=O ZINC000027428649 IE Annotated Reactive CCCNC[C@@H](O)CNc1ccc(NC[C@H](O)CCl)c2c1C(=O)c1ccccc1C2=O ZINC000027428654 IE Annotated Reactive CCCNC[C@H](O)CNc1ccc(NC[C@H](O)CCl)c2c1C(=O)c1ccccc1C2=O ZINC000027428659 IE Annotated Reactive C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000027517527 IE Annotated Reactive CCSc1cnc(/C=C(\C)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)o1 ZINC000027521098 IE Annotated Anodyne COC(=O)CC[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC(=O)[C@H]21 ZINC000027521825 IE Annotated Anodyne COC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]3CC[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC(=O)[C@@H]21 ZINC000027521827 IE Annotated Anodyne COC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]3CC[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC(=O)[C@H]21 ZINC000027521829 IE Annotated Anodyne O=C(O)c1cn2c3c(cc(N4CCN(C(=O)C(F)(F)F)CC4)cc3c1=O)SCC2 ZINC000027524879 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cc[n+](Cc4ccccc4)cc3)C[C@H]12 ZINC000027524949 IE Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cc[n+](Cc4ccccc4)cc3)C[C@H]12 ZINC000027524950 IE Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCN(C(=O)C(F)(F)F)CC4)c(F)cc3c1=O)SCC2 ZINC000027526297 IE Annotated Anodyne O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccc(F)c(F)c1)C(=O)O)c1ccc(F)c(F)c1 ZINC000027557020 IE Annotated Anodyne O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(F)c(F)c1)C(=O)O)c1ccc(F)c(F)c1 ZINC000027557022 IE Annotated Anodyne Fc1ccc2c(/C=N/NC3=NCCN3)c3cc(F)ccc3c(/C=N/NC3=NCCN3)c2c1 ZINC000027559730 IE Annotated Mild Cc1c(F)c(N2C[C@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000027560386 IE Annotated Anodyne Clc1cccc2c(/C=N/NC3=NCCN3)c3ccccc3c(/C=N/NC3=NCCN3)c12 ZINC000027560431 IE Annotated Mild Fc1cccc2c(/C=N/NC3=NCCN3)c3c(F)cccc3c(/C=N/NC3=NCCN3)c12 ZINC000027560728 IE Annotated Mild CCc1ccc2c(/C=N/NC3=NCCN3)c3ccccc3c(/C=N/NC3=NCCN3)c2c1 ZINC000027561564 IE Annotated Mild CN(/N=C/c1c2ccccc2c(/C=N/N(C)C2=NCCN2)c2ccccc12)C1=NCCN1 ZINC000027562008 IE Annotated Mild N[C@@H]1C=CC[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C[C@@H]12 ZINC000027629277 IE Annotated Anodyne N[C@H]1C=CC[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C[C@@H]12 ZINC000027629283 IE Annotated Anodyne C=C1C[C@@](CC)(CCn2cc(F)c(=O)n(CC[C@@]3(CC)CC(=C)C(=O)O3)c2=O)OC1=O ZINC000027652930 IE Annotated Mild C=C1C[C@](CC)(CCn2cc(F)c(=O)n(CC[C@@]3(CC)CC(=C)C(=O)O3)c2=O)OC1=O ZINC000027652934 IE Annotated Mild C=C1C[C@@](CC)(CCn2cc(F)c(=O)n(CC[C@]3(CC)CC(=C)C(=O)O3)c2=O)OC1=O ZINC000027652938 IE Annotated Mild C=C1C[C@@](CC)(CCn2c(=O)c(F)cn(CC[C@@]3(CC)CC(=C)C(=O)O3)c2=O)OC1=O ZINC000027652941 IE Annotated Mild COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(=O)CO)c1cc(=O)c(SC)ccc12 ZINC000027718628 IE Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(=O)CO)c1cc(=O)c(SC)ccc12 ZINC000027718635 IE Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(=O)CO)c1cc(=O)c(SC)ccc12 ZINC000027718641 IE Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(=O)CO)c1cc(=O)c(SC)ccc12 ZINC000027718649 IE Annotated Anodyne CN(C)CCCn1c(=O)c2ccc3c4c(nn3CCCN(C)C)-c3ccccc3-n(c1=O)c24 ZINC000027757945 IE Annotated Anodyne CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN3CCCC3)-c3ccccc3-n(c1=O)c24 ZINC000027757962 IE Annotated Anodyne CN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc2ccccc2n1 ZINC000027768164 IE Annotated Anodyne CNS(=O)(=O)c1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027768574 IE Annotated Clean CN(CC#CCN1CCCC1)C(=O)CCCCCNC(=O)CCNC(=O)OC(C)(C)C ZINC000027857455 IE Annotated Mild Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(C(F)F)c21 ZINC000027859079 IE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCCCOc1nonc1S(=O)(=O)c1ccccc1 ZINC000027868121 IE Annotated Anodyne CCN(CC)CCN(C(=O)CNC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000027871009 IE Annotated Anodyne NCCNC(=O)c1c2c(c3c(O)c4ccccc4c4ncnc1c34)=N[C@@H]1CCCC[C@H]1N2 ZINC000027871014 IE Annotated Bother NCCNC(=O)c1c2c(c3c(O)c4ccccc4c4ncnc1c34)=N[C@H]1CCCC[C@H]1N2 ZINC000027872534 IE Annotated Bother CCOc1nc(C(Br)Br)c([N+](=O)[O-])c(N2CCOCC2)n1 ZINC000027875405 IE Annotated Reactive CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2nc(C)ccc2=O)CC1 ZINC000027983017 IE Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cncc2[N+](=O)[O-])CC1 ZINC000027988092 IE Annotated Bother CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2ncnn2)CC1 ZINC000028007501 IE Annotated Anodyne CC(C)C(=O)OCC1(N(C(=O)C(C)C)c2ccccc2)CCN(CCn2ncnn2)CC1 ZINC000028016750 IE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(I)cn3)c(F)c2)C(=O)O1 ZINC000028016761 IE Annotated Anodyne COc1cc([C@@H](C)OC(=O)[C@@H](N)[C@H](OCc2ccccc2)C(=O)O)c([N+](=O)[O-])cc1OC ZINC000028099123 IE Annotated Bother COc1cc([C@H](C)OC(=O)[C@@H](N)[C@H](OCc2ccccc2)C(=O)O)c([N+](=O)[O-])cc1OC ZINC000028099129 IE Annotated Bother C[C@@H]1[C@@H](N)CN1c1c(F)c(N)c2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1F ZINC000028225969 IE Annotated Anodyne CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(CCCC)c1=O ZINC000028233276 IE Annotated Bother NCCCNCCN(CCNCCCN)CCNC1CCCCCCCCCCC1 ZINC000028244104 IE Annotated Anodyne CC1(C)S[C@@H]2[C@@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O ZINC000028254197 IE Annotated Anodyne CC1(C)S[C@H]2[C@@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O ZINC000028254203 IE Annotated Anodyne CC1(C)S[C@@H]2[C@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O ZINC000028254208 IE Annotated Anodyne CC1(C)S[C@H]2[C@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O ZINC000028254214 IE Annotated Anodyne COc1cc2c(cc1OC)C(c1ccc(N(C(C)=O)C(C)=O)cc1)=NN(C(C)=O)C(=O)C2 ZINC000028254992 IE Annotated Anodyne CCN1C(=O)c2c(nc(C(=O)NC)n2Cc2ccc(O)c(Cl)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028264373 IE Annotated Anodyne CC(=O)Nc1ccc(Oc2ccc(N3C[C@H](CNC(=S)NN)OC3=O)cc2F)cc1 ZINC000028352772 IE Annotated Anodyne NN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)C(=O)O1 ZINC000028363531 IE Annotated Anodyne Cc1c(C(=O)NNC(N)=O)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028382360 IE Annotated Reactive Cc1c(N2C[C@@H](F)[C@@H]([C@@H]3C[C@@H]3N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000028384130 IE Annotated Anodyne Cc1c(N2C[C@@H](F)[C@@H]([C@H]3C[C@@H]3N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000028384136 IE Annotated Anodyne Nc1c(F)c(N2C[C@H]3C[C@@H]4C[C@@H]4[C@H](N)[C@H]3C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F ZINC000028388849 IE Annotated Anodyne Nc1c(F)c(N2C[C@H]3CCC[C@@H](N)[C@H]3C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F ZINC000028389843 IE Annotated Anodyne Nc1c(F)c(N2C[C@H]3C[C@@H]4C[C@@H]4[C@@H](N)[C@H]3C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F ZINC000028392593 IE Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(I)c2)C(=O)N1CCCCO ZINC000028395581 IE Annotated Mild Cn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN(c4ccccn4)CC3)c(F)c21 ZINC000028396315 IE Annotated Bother COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028456848 IE Annotated Anodyne COc1c(N2C[C@@H](N)C3(CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000028458521 IE Annotated Anodyne N[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@@H]21 ZINC000028459516 IE Annotated Anodyne CCOC(=O)COC(=O)c1cn2c3c(c(N4CCC(O)CC4)c(F)cc3c1=O)CC[C@@H]2C ZINC000028474444 IE Annotated Anodyne CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(NCCN2CCNCC2)n1 ZINC000028524479 IE Annotated Anodyne N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1ncccc1F ZINC000028524678 IE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(C=O)o4)CC3)c(F)c2)C(=O)O1 ZINC000028526176 IE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(C#N)o4)CC3)c(F)c2)C(=O)O1 ZINC000028526181 IE Annotated Mild CCCN1C[C@@]2(NS1(=O)=O)[C@H]1CC[C@@H]2Cc2cc(/C=C/CN3CCOCC3)ccc2C1 ZINC000028526633 IE Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000028528390 IE Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)C1 ZINC000028563400 IE Annotated Mild C[C@H]1C[C@@H](C)CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)C1 ZINC000028563402 IE Annotated Mild C[C@H]1C[C@H](C)CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)C1 ZINC000028563405 IE Annotated Mild N#Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cn2)c1N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000028563429 IE Annotated Mild N#Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cn2)c1N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000028563431 IE Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)N2CCOCC2)sc2c1CCC(C)(C)C2 ZINC000028565541 IE Annotated Mild C[C@H]1CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C[C@@H](C)O1 ZINC000028567826 IE Annotated Mild CC(=O)c1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000028572269 IE Annotated Anodyne CC(=O)c1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000028572270 IE Annotated Anodyne C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1C3 ZINC000028638521 IE Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)C3 ZINC000028638851 IE Annotated Mild in-vitro biogenic COc1cc(N(C)CCCNC(=O)N[C@@H](CO)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000028639407 IE Annotated Anodyne C[C@H]1C(c2cn3cnc(C(=O)c4cccs4)c3s2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000028640865 IE Annotated Anodyne COc1ccc(OC)c(C[C@@H]2NC(=O)[C@@H]3Cc4c(OC)ccc(OC)c4[C@H](C)N3C2=O)c1 ZINC000028640885 IE Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCC(=O)NCC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643157 IE Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCC(=O)NCC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643159 IE Annotated Mild Cc1ccc2c(c1)Sc1cc(C)ccc1OCC(=O)NCCNCCNC(=O)CO2 ZINC000028647240 IE Annotated Anodyne O=C1/C(=N\NC(=S)Nc2ccc(F)cc2)c2cc(F)ccc2N1CN1CCOCC1 ZINC000028651524 IE Annotated Mild CNC(=O)c1nccnc1NCC(=O)N1CCC(Oc2c(F)ccc(F)c2Cl)CC1 ZINC000028704959 IE Annotated Anodyne CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 ZINC000028705188 IE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC(C)=O)C(=O)C=CC(C)(C)[C@H]1[C@H](OC(C)=O)C3=O ZINC000028708327 IE Annotated Mild CN(C)C[C@@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711452 IE Annotated Anodyne CN(C)C[C@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711453 IE Annotated Anodyne N#CCSc1nnc(Cc2csc(NCCC(=O)O)n2)n1NC(=O)c1ccccc1 ZINC000028712139 IE Annotated Mild CCCNC(=O)[C@H](Cn1cnc2c(Cl)nc(N)nc21)NC(=O)N[C@H](C)c1ccccc1 ZINC000028713620 IE Annotated Anodyne COc1cc(C)cc2c1C(=O)[C@H]1O[C@@]1(c1c(C)cc3c(c1OC)C(=O)[C@H]1O[C@H]1C3=O)C2=O ZINC000028713726 IE Annotated Clean N=C(N)c1ccc(C(=O)N2CCC3(CCN(C(=O)CCCCC(=O)O)CC3)CC2)cc1 ZINC000028754794 IE Annotated Anodyne O=C(O)CC(=O)N1CCC2(CCC(C(=O)N3CCC(C4CCNCC4)CC3)CC2)CC1 ZINC000028756072 IE Annotated Anodyne CSCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758115 IE Annotated Clean C=CC(=O)OCCOC(=O)CCC(=O)O[C@H]1C(=O)N(SC)[C@H]1c1ccccc1Cl ZINC000028816436 IE Annotated Anodyne C=CC(=O)OCCOC(=O)CCC(=O)O[C@H]1C(=O)N(SC)[C@@H]1c1ccccc1Cl ZINC000028816438 IE Annotated Anodyne C=CC(=O)OCCOC(=O)CCC(=O)O[C@@H]1C(=O)N(SC)[C@H]1c1ccccc1Cl ZINC000028816439 IE Annotated Anodyne C=CC(=O)OCCOC(=O)CCC(=O)O[C@@H]1C(=O)N(SC)[C@@H]1c1ccccc1Cl ZINC000028816440 IE Annotated Anodyne CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21 ZINC000028820888 IE Annotated Anodyne CC(C)S(=O)(=O)n1c(=O)n(Cc2nc3ccccc3n2CCCC#N)c2cnccc21 ZINC000028821622 IE Annotated Mild CCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OC)N1C(=O)OC ZINC000028823721 IE Annotated Anodyne CN(c1cc2cc(n1)NCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O ZINC000028824407 IE Annotated Anodyne NCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCCCO ZINC000028824470 IE Annotated Anodyne COc1cc([C@@H]2CC(c3c(C)[n+]([O-])c4ccc(F)cc4[n+]3[O-])=NN2)cc(OC)c1OC ZINC000028825606 IE Annotated Anodyne COc1cc([C@H]2CC(c3c(C)[n+]([O-])c4ccc(F)cc4[n+]3[O-])=NN2)cc(OC)c1OC ZINC000028825607 IE Annotated Anodyne O=C(N[C@H]1COC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 ZINC000028826198 IE Annotated Anodyne COc1ncc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12 ZINC000028826899 IE Annotated Anodyne C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826911 IE Annotated Anodyne C[C@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826912 IE Annotated Anodyne COc1c(Br)cc(/C=C(\OS(=O)(=O)O)C(=O)O)cc1Br ZINC000028827244 IE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000028861900 IE Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)cc2)C(=O)O1 ZINC000028861912 IE Annotated Bother CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC4(CC3)OCCO4)nc21 ZINC000028868257 IE Annotated Bother C[C@@H]1CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)[C@H](C)CO1 ZINC000028883724 IE Annotated Mild CC(C)N1N=Cc2ccccc2[C@@H](NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O ZINC000028899722 IE Annotated Anodyne CC(C)N1N=Cc2ccccc2[C@H](NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O ZINC000028899727 IE Annotated Anodyne CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@@H](N)[C@@H](c4cc(F)c(F)cc4F)C3)n2)c1 ZINC000028899877 IE Annotated Anodyne C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCCN(C)C)cs4)cc3c21 ZINC000028902325 IE Annotated Anodyne C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCCN(C)C)cs4)cc3c21 ZINC000028902330 IE Annotated Anodyne in-vivo CN1C(NNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NS(=O)(=O)c2ccccc21 ZINC000028951303 IE Annotated Reactive CN1C(NNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)=NS(=O)(=O)c2ccccc21 ZINC000028951323 IE Annotated Reactive Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000028952296 IE Annotated Anodyne Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000028952310 IE Annotated Anodyne N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC2(c3ccccn3)CC2)c1F ZINC000028956123 IE Annotated Anodyne N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC2(c3cccnc3)CC2)c1F ZINC000028956124 IE Annotated Anodyne CC[C@@H]1CCCCCC[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)[C@@H](C)C(=O)NCCC1 ZINC000028965816 IE Annotated Anodyne CC[C@H]1CCCCCC[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)[C@@H](C)C(=O)NCCC1 ZINC000028965822 IE Annotated Anodyne in-vitro CNC(=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 ZINC000028966525 IE Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@H](Cc3occc3[C@@]2(C)O)[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000028970193 IE Annotated Anodyne Nc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4ccccc4F)CC3)cccc2n1 ZINC000028971803 IE Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(C[C@@H](O)C(C)(C)O)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000028972535 IE Annotated Mild CN(C)S(=O)(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000028979474 IE Annotated Anodyne CN(C)C(=O)C(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000028979477 IE Annotated Anodyne Cc1ccc(Oc2ccc(N(C[C@H](NC(=O)C(C)C)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029039821 IE Annotated Bother COC1=C(C)C(=O)O/C1=C(\O)[C@@H](C)[C@H]1[C@@H](O)CCCN2[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@H]12 ZINC000029041999 IE Annotated Anodyne in-vivo C=C1C(=O)O[C@@H]2c3oc(cc3C)[C@@H](OC)[C@](C)(O)C[C@H]3C=C(C(=O)O3)[C@H](OC(C)=O)C[C@@H]12 ZINC000029042308 IE Annotated Mild O=C(O)COc1ccc(Nc2ncc3nnn(C45C[C@@H]6C[C@@H](CC(O)(C6)C4)C5)c3n2)cc1 ZINC000029043529 IE Annotated Anodyne Cn1c(C(C)(C)C)nc(C(=O)NCc2ccc(F)cc2C(=O)N2CCCC2)c(O)c1=O ZINC000029047280 IE Annotated Anodyne CN(O)C(=O)COCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000029058831 IE Annotated Anodyne CCOC(=O)c1nn2c(O)nc3cc(Cl)c(-n4cnnc4)cc3c2c1C(=O)OCC ZINC000029060694 IE Annotated Anodyne CNCCc1cn(C2=C(c3c[nH]c4ccc(C(N)=O)cc34)C(=O)NC2=O)c2ccccc12 ZINC000029125496 IE Annotated Anodyne CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 ZINC000029126127 IE Annotated Anodyne CN(C(=O)NC1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126260 IE Annotated Anodyne CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126533 IE Annotated Anodyne C[C@@H]1COc2c(N3CCC4(CC3)OCCO4)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029126944 IE Annotated Bother C[C@H]1COc2c(N3CCC4(CC3)OCCO4)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029126945 IE Annotated Bother C#CCN1C[C@@H](NC(=O)c2ccc(Cc3c(C)[nH]c4ccccc34)cc2)[C@@H](C(=O)NO)C1 ZINC000029127447 IE Annotated Mild O=C(O)CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)NCCC(=O)O)n1 ZINC000029128812 IE Annotated Anodyne NC(=O)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000029129288 IE Annotated Anodyne COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)CCC(F)(F)F)cn1 ZINC000029129548 IE Annotated Anodyne O=C(OCCOCCOCCOCCO)c1cccc2oc(-c3ccccc3O)nc12 ZINC000029131980 IE Annotated Anodyne COc1cc(Cc2nnc(S)n2-c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC ZINC000029132694 IE Annotated Anodyne NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3cccc(OCCc4ccncc4)c32)cc1 ZINC000029134077 IE Annotated Mild COC(=O)[C@H]1[C@H](CO)C(=O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000029205889 IE Annotated Anodyne COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@H](O)[C@H]1CO)OCO3 ZINC000029206002 IE Annotated Anodyne COC(=O)c1csc2sc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)nc12 ZINC000029218540 IE Annotated Anodyne COc1cc(C2=NCCN2)ccc1OC/C=C\COc1ccc(C2=NCCN2)cc1OC ZINC000029228081 IE Annotated Anodyne O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc(Cl)cc3)cccc21 ZINC000029234917 IE Annotated Mild COc1cc(C2=NCCN2)ccc1OC/C=C/COc1ccc(C2=NCCN2)cc1OC ZINC000029245179 IE Annotated Anodyne O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3cccc4cccnc34)cccc21 ZINC000029248382 IE Annotated Mild COCO[C@@H]1CC(=O)OC[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1 ZINC000029324881 IE Annotated Anodyne COC1=C(Br)C(=O)c2c(c(COC(C)=O)c3n2CC[C@H]3OC(C)=O)C1=O ZINC000029340004 IE Annotated Mild COC1=C(Br)C(=O)c2c(c(COC(C)=O)c3n2CC[C@@H]3OC(C)=O)C1=O ZINC000029340007 IE Annotated Mild COC[C@@H]1C[C@H](N)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000029342220 IE Annotated Anodyne COC[C@H]1C[C@H](N)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000029342223 IE Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@@H](C)/C=C/[C@H](C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)C(C)C ZINC000029342520 IE Annotated Anodyne N[C@H]1C[C@H](CF)N(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000029390781 IE Annotated Anodyne CCNC(=O)NS(=O)(=O)c1ccc(NC(=O)n2nc(C)c(Br)c2C)cc1 ZINC000029403291 IE Annotated Anodyne CN(C)CC/N=c1\c(O)c(O)\c1=N/C/C=C\COc1csc(CN2CCCCC2)c1 ZINC000029479169 IE Annotated Anodyne C[C@@H](n1cnc2cc(N)c(F)cc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029545237 IE Annotated Anodyne C[C@@H](NC(=O)c1ccc(Cl)cc1NC=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029546403 IE Annotated Anodyne COc1cccc2c(=O)n([C@H](C)[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cnc12 ZINC000029548868 IE Annotated Anodyne C[C@@H](n1cnc2cc(N(C)C)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029553304 IE Annotated Anodyne Nc1ncc2ncn(OCC(COC(=O)c3ccccc3)COC(=O)c3ccccc3)c2n1 ZINC000029560650 IE Annotated Anodyne COc1ccc([C@@H](CC(=O)O)NC(=O)NNC(=O)CCCCNc2ccccn2)cc1 ZINC000029560665 IE Annotated Reactive COc1ccc([C@H](CC(=O)O)NC(=O)NNC(=O)CCCCNc2ccccn2)cc1 ZINC000029560669 IE Annotated Reactive Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)c(F)c32)c(F)cc1F ZINC000029564014 IE Annotated Anodyne COc1ccc([C@@H](CC(=O)O)CC(=O)NNC(=O)CCCCNc2ccccn2)cc1 ZINC000029568448 IE Annotated Reactive COc1ccc([C@H](CC(=O)O)CC(=O)NNC(=O)CCCCNc2ccccn2)cc1 ZINC000029568452 IE Annotated Reactive O=C(O)CN1C[C@@H](c2ccsc2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O ZINC000029569479 IE Annotated Anodyne COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\COCC(=O)O)C[C@@H]13)O2 ZINC000029569485 IE Annotated Anodyne COc1ccc2c(c1)OC[C@@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\COCC(=O)O)C[C@@H]13)O2 ZINC000029569488 IE Annotated Anodyne COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/COCC(=O)O)C[C@@H]3C[C@H]1O)O2 ZINC000029569491 IE Annotated Anodyne COc1ccc2c(c1)OC[C@@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/COCC(=O)O)C[C@@H]3C[C@H]1O)O2 ZINC000029569494 IE Annotated Anodyne O=C(O)CN1C[C@H](c2ccsc2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O ZINC000029571901 IE Annotated Anodyne COc1c(N2C[C@H]3C[C@H]2CN3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000299805943 IE Annotated Anodyne Cc1c(N2C[C@@H](F)[C@@H]([C@H]3C[C@H]3N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000299805966 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 ZINC000299807142 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000299807143 IE Annotated Anodyne Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 ZINC000299807144 IE Annotated Anodyne CCN(CC)CCCn1c(=O)c(=Cc2ccccc2O)s/c1=C1\C(=O)Nc2ccccc21 ZINC000299809314 IE Annotated Anodyne Cc1c(F)c(N2C[C@H]3C[C@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000299812812 IE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@]23CCC(=O)N(Cc2ccco2)C3=N1 ZINC000299813953 IE Annotated Anodyne COC(=O)C1=C[C@H]2C[C@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@H]2S(=O)(=O)c1ccccc1 ZINC000299814438 IE Annotated Anodyne C/C=C(\C)C(=O)C[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@]12O[C@H](C)CC[C@@H]2O ZINC000299815425 IE Annotated Mild C/C=C(\C)C(=O)C[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@]12O[C@H](C)CC[C@H]2O ZINC000299815426 IE Annotated Mild C=CCOc1ccc([C@@H]2c3c(n[nH]c3O)C[C@](O)(OCC)[C@H]2C(=O)OCC)cc1OC ZINC000299816182 IE Annotated Mild C=CCOc1ccc([C@@H]2c3c(n[nH]c3O)C[C@](O)(OCC)[C@@H]2C(=O)OCC)cc1OC ZINC000299816183 IE Annotated Mild N[C@@H](Cc1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1CCC(=O)O)C(=O)O ZINC000299818960 IE Annotated Bother COc1cc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)cc(OC)c1O ZINC000299819151 IE Annotated Mild O=S1(=O)CCc2nc(N/N=C/c3ccc(Cl)cc3F)nc(N3CCOCC3)c2C1 ZINC000299820048 IE Annotated Mild CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(Cl)c(F)cc2c1=O ZINC000299821381 IE Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(Cl)c(F)cc2c1=O ZINC000299821383 IE Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 ZINC000299822310 IE Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 ZINC000299822313 IE Annotated Bother c1ncn(CCOc2ccc3c(c2)CN2CN3Cc3cc(OCCn4cncn4)ccc32)n1 ZINC000299822501 IE Annotated Clean O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(Cl)cc(Cl)cc2c1=O ZINC000299823322 IE Annotated Bother O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(Cl)cc(Cl)cc2c1=O ZINC000299823327 IE Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21 ZINC000299823348 IE Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21 ZINC000299823351 IE Annotated Bother CC1=C(c2cc[n+]([O-])cc2)S(=O)(=O)N(Cc2ccc(C(=O)N3CCCCC3)cc2)C1=O ZINC000299824018 IE Annotated Anodyne CNCCNc1c2c(c(NCCNC(=N)N)c3sccc13)C(=O)c1ccccc1C2=O ZINC000299824741 IE Annotated Clean CCN(CC)C(=O)c1c(NC(C)C)c2cccnc2n2c(CN3CCN(C)CC3)nnc12 ZINC000299827055 IE Annotated Anodyne CNCCNc1c2c(c(NCCNC(=N)N)c3ccsc13)C(=O)c1ccccc1C2=O ZINC000299827122 IE Annotated Clean CCN(CC)C(=O)c1c(NC(C)C)c2cccnc2n2c(CN3CCOCC3)nnc12 ZINC000299827672 IE Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)NNC(=S)Nc3ccccc3)nc(O)c2c1C ZINC000299828332 IE Annotated Reactive O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@H](O)c1ccccc1 ZINC000299828356 IE Annotated Bother O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@@H](O)c1ccccc1 ZINC000299828359 IE Annotated Bother COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299829159 IE Annotated Anodyne COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299829162 IE Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O ZINC000299829184 IE Annotated Bother O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O ZINC000299829185 IE Annotated Bother COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)cc1OC ZINC000299829269 IE Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)cc1OC ZINC000299829272 IE Annotated Anodyne CC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]([C@H]2COC(C)(C)O2)O[P@]1(=O)c1ccccc1 ZINC000299830981 IE Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)nc4)n3n2)c1 ZINC000299831202 IE Annotated Anodyne N[C@@H](Cc1cc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1CCC(=O)O)C(=O)O ZINC000299831830 IE Annotated Bother CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)C[C@H]1N ZINC000299832752 IE Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)C[C@@H]1N ZINC000299832754 IE Annotated Mild Cn1c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000299833560 IE Annotated Mild Cn1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000299833561 IE Annotated Mild CCN(CC)S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)c2ccc(C)nc2c1O ZINC000299833860 IE Annotated Anodyne CC(C)(C(=O)NCc1ccccc1)[C@@H]1C(=O)Nc2cccc(C(=O)NC3CC3)c2NC1=O ZINC000299835017 IE Annotated Anodyne CC(C)(C(=O)NCc1ccccc1)[C@H]1C(=O)Nc2cccc(C(=O)NC3CC3)c2NC1=O ZINC000299835018 IE Annotated Anodyne CCN(CC)C(=O)Cn1c(=O)c(C(=O)NC)c(O)c2ncc(Cc3ccc(F)cc3)cc21 ZINC000299836590 IE Annotated Anodyne NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1 ZINC000299837339 IE Annotated Bother C=CC(=O)NC/C=C/c1cc(OCCCN2CCOCC2)cc(O)c1C(=O)OC(C)C ZINC000299837930 IE Annotated Anodyne CN1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2(O)CCOCC2)C1 ZINC000299838313 IE Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3c(cc4c(C(C)(C)C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000299838641 IE Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3c(cc4c(C(C)(C)C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]12 ZINC000299838645 IE Annotated Anodyne C[C@@H]1CN2c3c(cc4c(C(C)(C)C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@@H](C)O1 ZINC000299838646 IE Annotated Anodyne C[C@@H]1CN2c3c(cc4c(C(C)(C)C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1 ZINC000299838650 IE Annotated Anodyne CN1C(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc([N+](=O)[O-])cc32)C(=O)N(C)C1=O ZINC000299838717 IE Annotated Mild CN1C(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc([N+](=O)[O-])cc32)C(=O)N(C)C1=O ZINC000299838718 IE Annotated Mild CC(=O)N[C@H]1Cc2cn(c3ccccc23)C(=O)c2ccccc2NC(=O)[C@@H]2CCCN2C1=O ZINC000299839480 IE Annotated Anodyne O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000299840611 IE Annotated Reactive C[C@@]1(CN)CC[C@@H](C(=O)OCc2oc(=O)oc2COC(=O)[C@@H]2CC[C@@H](CN)CC2)CC1 ZINC000299845639 IE Annotated Anodyne CCN(CC)C(=O)[C@@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299845931 IE Annotated Anodyne CCN(CC)C(=O)[C@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299845932 IE Annotated Anodyne CN1C(=O)[C@@H]2[C@H](C1=O)[C@@]13C(=C[C@H]2[C@H]2C(=O)N(C)C(=O)[C@@H]21)c1ccccc1N3c1ccccc1 ZINC000299847246 IE Annotated Anodyne CN(C)C1=N[C@H]2C(=[N+]([O-])O)c3ccc([N+](=O)[O-])cc3[C@@H]([C@H]1c1ccccc1)[C@@H]2[N+](=O)[O-] ZINC000299849175 IE Annotated Mild CN(C)C1=N[C@H]2C(=[N+]([O-])O)c3ccc([N+](=O)[O-])cc3[C@@H]([C@@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000299849176 IE Annotated Mild CN(C)C1=N[C@H]2C(=[N+]([O-])O)c3ccc([N+](=O)[O-])cc3[C@@H]([C@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000299849177 IE Annotated Mild CN(C)C1=N[C@H]2c3cc([N+](=O)[O-])ccc3C(=[N+]([O-])O)[C@@H]([C@@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000299849195 IE Annotated Mild CN(C)C1=N[C@H]2c3cc([N+](=O)[O-])ccc3C(=[N+]([O-])O)[C@@H]([C@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000299849196 IE Annotated Mild CN(C)C1=N[C@H]2c3cc([N+](=O)[O-])ccc3C(=[N+]([O-])O)[C@@H]([C@H]1c1ccccc1)[C@@H]2[N+](=O)[O-] ZINC000299849197 IE Annotated Mild CN(C)C1=N[C@H]2C(=[N+]([O-])O)c3c(cccc3[N+](=O)[O-])[C@@H]([C@@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000299849217 IE Annotated Mild CN(C)C1=N[C@H]2C(=[N+]([O-])O)c3c(cccc3[N+](=O)[O-])[C@@H]([C@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000299849218 IE Annotated Mild CN(C)C1=N[C@H]2C(=[N+]([O-])O)c3c(cccc3[N+](=O)[O-])[C@@H]([C@H]1c1ccccc1)[C@@H]2[N+](=O)[O-] ZINC000299849219 IE Annotated Mild O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1/C=C\CCO ZINC000299851696 IE Annotated Bother COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(C(C)C)cc3)n2)cc1)N1C(=O)C=CC1=O ZINC000299852036 IE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2/C=C\CCO)cc1 ZINC000299852067 IE Annotated Bother Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC[C@@H](Cc3ccccc3)C2)c(=O)c1=O ZINC000299852196 IE Annotated Anodyne Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC[C@H](Cc3ccccc3)C2)c(=O)c1=O ZINC000299852197 IE Annotated Anodyne CS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 ZINC000299852590 IE Annotated Anodyne C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1O ZINC000299852642 IE Annotated Reactive C/C(=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@H]1O[C@]14C(=O)c1c(O)cccc1O[C@]324)C(=O)O ZINC000299852905 IE Annotated Anodyne C/C(=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@@H]1O[C@@]14C(=O)c1c(O)cccc1O[C@@]342)C(=O)O ZINC000299852906 IE Annotated Anodyne C/C(=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@@H]1O[C@]14C(=O)c1c(O)cccc1O[C@]324)C(=O)O ZINC000299852907 IE Annotated Anodyne C/C(=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@H]1O[C@@]14C(=O)c1c(O)cccc1O[C@@]342)C(=O)O ZINC000299852908 IE Annotated Anodyne Cn1c(CCCC(=O)O)nc2ccc(N(CCCl)CCSC[C@H](N)C(=O)O)cc21 ZINC000299854442 IE Annotated Reactive Cn1c(CCCC(=O)O)nc2ccc(N(CCCl)CCSC[C@@H](N)C(=O)O)cc21 ZINC000299854443 IE Annotated Reactive C=CC(C)(C)c1[nH]c2c(C[C@H](O)C(C)(C)O)cccc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000299855534 IE Annotated Mild O=C1COCCN1c1ccc(-n2cnc3onc(-c4ccc([N+](=O)[O-])cc4)c3c2=O)cc1 ZINC000299856117 IE Annotated Bother C=CC(C)(C)c1[nH]c2ccc(C[C@H](O)C(C)(C)OC)cc2c1C=c1nc(O)c(=C)nc1O ZINC000299857942 IE Annotated Mild O=C(O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]23 ZINC000299859272 IE Annotated Bother C=CC(C)(C)c1[nH]c2ccc(C[C@H](O)C(C)(C)O)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000299859528 IE Annotated Mild N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1C/C=C/C(=O)O ZINC000299859539 IE 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)c2cccnc2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000299859893 IE Annotated Mild CN1CCN(CC#CCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)CC1 ZINC000299862608 IE Annotated Mild O=C([C@@H]1CC[C@@H](Cn2c(O)nc3ccccc3c2=O)CC1)N1CCN(c2cnccn2)CC1 ZINC000299863134 IE Annotated Anodyne N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1/C=C/CC(=O)O ZINC000299863331 IE Annotated Mild N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1/C=C\CC(=O)O ZINC000299863332 IE Annotated Mild O=C(O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]23 ZINC000299865619 IE Annotated Bother COc1cc(N2C3=C(C(=O)CCC3)[C@]3(O)C(=O)c4ccccc4[C@]23O)cc(OC)c1OC ZINC000299865736 IE Annotated Mild O=C(O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]23 ZINC000299867303 IE Annotated Bother Cc1cnc(N2CCSCC2)c(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)nn2)c1 ZINC000299868292 IE Annotated Reactive C[C@H]1COC2(CCN(C3=NC(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4[S@]3=O)CC2)O1 ZINC000299869247 IE Annotated Bother C[C@H]1COC2(CCN(C3=NC(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4[S@@]3=O)CC2)O1 ZINC000299869248 IE Annotated Bother C=C(C(=O)c1cc(OC)c(O)c(OC)c1)[C@H](CO)C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000299870588 IE Annotated Mild C=C(C(=O)c1cc(OC)c(O)c(OC)c1)[C@@H](CO)C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000299870589 IE 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)c1cccnc1 ZINC000299871640 IE Annotated Mild N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2/C=C\CC(=O)O)cc1 ZINC000299871709 IE Annotated Mild CN1C[C@H]2C[C@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000299873008 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299874163 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000299874164 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299874165 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000299874166 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@@H](C)O)c1 ZINC000299874198 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](C)O)c1 ZINC000299874199 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](C)O)c1 ZINC000299874200 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)c1 ZINC000299874201 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000299874533 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299874534 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000299874535 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299874536 IE Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000299876159 IE Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000299876160 IE Annotated Anodyne COc1ccc(OC)c(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)c1 ZINC000299876303 IE Annotated Anodyne COc1ccc(OC)c(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)c1 ZINC000299876304 IE Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299876982 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000299877812 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000299877813 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000299877814 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CO)c1 ZINC000299878029 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)CO)c1 ZINC000299878030 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CO)c1 ZINC000299878031 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299878380 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299878381 IE Annotated Anodyne COc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)c(OC)c1 ZINC000299878729 IE Annotated Anodyne COc1ccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)c(OC)c1 ZINC000299878730 IE Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000299880010 IE Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000299880011 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299880460 IE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299880461 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)Cc2ccccc2OC)C1 ZINC000299881149 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)Cc2ccccc2OC)C1 ZINC000299881150 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)Cc2ccccc2OC)C1 ZINC000299881151 IE Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299882467 IE Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299882468 IE Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000299883325 IE Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000299883326 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000299883526 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299883527 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299883528 IE Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299884015 IE Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299884016 IE Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299884017 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299885129 IE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299885130 IE Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299886073 IE Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299886074 IE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000299886182 IE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000299886183 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299887035 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000299887036 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000299887037 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299887038 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000299887862 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299887863 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299887864 IE Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000003061458 IE Annotated Anodyne CCOC(=O)C1=c2s/c(=C\c3cccs3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccs1 ZINC000003097253 IE Annotated Reactive CCOC(=O)C1=c2s/c(=C\c3cccs3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccs1 ZINC000003097255 IE Annotated Reactive CN1CCN(NC(=O)c2ccc(S(=O)(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2)CC1 ZINC000003168719 IE Annotated Anodyne O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)C(=O)N1 ZINC000003188093 IE Annotated Clean CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000003200349 IE Annotated Reactive CC(C)C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O ZINC000003265933 IE Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000003303639 IE Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)N3CCCCC3)c2)cc1 ZINC000003346633 IE Annotated Anodyne Cc1ccc(/C=c2/s/c(=C(\C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1 ZINC000003434411 IE Annotated Mild Cc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1 ZINC000003434421 IE Annotated Mild CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1C(=O)C=C[C@]21CO1 ZINC000031458285 IE Annotated Mild 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 ZINC000031769459 IE Annotated Mild 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 ZINC000031769462 IE Annotated Mild NC(N)=NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(N)c4ccccc4nc23)cc1 ZINC000031841026 IE Annotated Mild Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2C)cc1 ZINC000031861098 IE Annotated Mild Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2C)cc1 ZINC000031861100 IE Annotated Mild C=CCOc1ccc([C@@H]2[C@@H](C(=O)OCC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC)cc1OC ZINC000031870666 IE Annotated Mild C=CCOc1ccc([C@@H]2[C@H](C(=O)OCC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC)cc1OC ZINC000031870667 IE Annotated Mild C=CCOc1ccc([C@H]2[C@@H](C(=O)OCC)C(=O)C[C@](C)(O)[C@@H]2C(=O)OCC)cc1OC ZINC000031870668 IE Annotated Mild CC(=O)O[C@@H](CN1CCN(c2ccccn2)CC1)Cn1sc2nc(C)cc(C)c2c1=O ZINC000031905655 IE Annotated Anodyne O=C1N/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc(cc2)/C=N/NC1=O ZINC000031908616 IE Annotated Anodyne C[C@@H]1[C@@H]2[C@@H](N)[C@@H]2CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000032050564 IE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(Nc5cc(OC)c(OC)cc5C4=O)[C@@H]3C[C@H]12 ZINC000032296581 IE Annotated Anodyne COc1ccc(/C=N\n2c(=O)[nH]c3c([nH]c4ccc(C)cc43)c2=O)cc1CN1CCOCC1 ZINC000032311405 IE Annotated Mild Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(Cl)c2)c1CN1CCCCCC1 ZINC000033296044 IE Annotated Reactive Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\NC2=NC(=O)[C@@H](CC(=O)O)S2)cc1 ZINC000033432040 IE Annotated Mild O=C1CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2CO1 ZINC000033642366 IE Annotated Anodyne O=C1CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2CO1 ZINC000033642367 IE Annotated Anodyne CC(/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1)=C/c1ccccc1 ZINC000033770899 IE Annotated Reactive CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1C(=O)C=C[C@@]21CO1 ZINC000033802464 IE Annotated Mild O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cc[nH]n3)ncc(F)c12 ZINC000033819946 IE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cnccn3)ccnc12 ZINC000033820024 IE Annotated Anodyne CC(C)[C@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@H](NC(=O)C2CC2)[C@H]1C1(C=O)CCC1 ZINC000033821260 IE Annotated Mild in-vivo CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@H]5O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000033831055 IE Annotated Anodyne in-vitro biogenic 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](O)[C@@H]3OC(C)=O ZINC000033831428 IE Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C(=O)[C@@H]3OC(C)=O ZINC000033831429 IE Annotated Mild in-vitro biogenic C=CCC1=C2C(=O)C(OC)(OC)[C@H]1[C@@H]1C(OC)(OC)C(=O)C(OC)=C[C@]1(CC=C)[C@H]2OC ZINC000033833286 IE Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]4(C)[C@@H]2[C@@H](O)C[C@]1(O)C3 ZINC000033833872 IE Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@H](O)C3 ZINC000033833874 IE Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)C3 ZINC000033833876 IE Annotated Mild in-vitro biogenic 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]2O)C1(C)C ZINC000033834062 IE Annotated Mild in-vitro biogenic C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C(C)=O)[C@H]32)[C@@H]1OC(C)=O ZINC000033848739 IE Annotated Anodyne CC(C)=CCc1cccc2nc3c(C(=O)O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]4O)cccc3nc12 ZINC000033894821 IE Annotated Bother in-vitro C=CCC1=C[C@]2(OC)C(=O)C(OC)(OC)[C@H]1[C@@H]1C(OC)(OC)C(=O)C(OC)=C[C@@]12CC=C ZINC000033913387 IE Annotated Mild in-vitro biogenic CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H]1C ZINC000033943429 IE Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C ZINC000033943452 IE Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C/[C@@H]1C ZINC000033943457 IE Annotated Anodyne COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1NC(=O)[C@H](C)N ZINC000034012703 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000034148730 IE Annotated Anodyne CC(C)CO/N=C1\C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]21 ZINC000034148851 IE Annotated Mild CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C/[C@H]1C ZINC000034148906 IE Annotated Anodyne CC(C)=CCc1c(O)n(Cc2ccc(F)cc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168915 IE Annotated Anodyne CN1CN(C)c2nc3n(Cc4ccccc4)c(O)c(Cc4ccccc4)c(=O)n3c2C1=O ZINC000034168919 IE Annotated Anodyne C[C@@]12C[C@@H](c3c(cc4c(c3O)C(=O)c3cccc(O)c3C4=O)[C@H]1O)[C@@]1(C=C3CCN=C3N1)O2 ZINC000034241968 IE Annotated Clean O=C(O)c1cn2c3c(c(N4C[C@@H](F)[C@@H](CNC5CC5)C4)c(F)cc3c1=O)OC[C@@H]2CF ZINC000034324035 IE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@@H]3C[C@H]12 ZINC000034366889 IE Annotated Anodyne O=C(O)c1cn2c3c(c(N4C[C@H](CNC5CC5)[C@@H](F)C4)c(F)cc3c1=O)OC[C@@H]2CF ZINC000034376343 IE Annotated Anodyne COc1cc(CNC(=O)c2cn3c(=O)n(Cc4ccccc4)c(=O)c(C)c3s2)ccn1 ZINC000034395275 IE Annotated Anodyne COc1cc([C@H]2[C@H](O)N(C)C(=O)[C@]23CCCN3)c(Br)cc1Br ZINC000034518470 IE 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](O)[C@@H]2OC(C)=O ZINC000034556692 IE Annotated Mild COc1cc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000034575240 IE Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000034575241 IE Annotated Anodyne C[C@]1(CO)CCC[C@]2(C)C3=C(C(=O)OC3)[C@H](O)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000034751133 IE Annotated Bother O=C(O)c1cc(/C=N/c2ccc(S(=O)(=O)N[C@@H]3N=CCS3)cc2)c2c(c1)COCO2 ZINC000034759569 IE Annotated Mild O=C(O)c1cc(/C=N/c2ccc(S(=O)(=O)N[C@H]3N=CCS3)cc2)c2c(c1)COCO2 ZINC000034759573 IE Annotated Mild CC(=O)N(C)CCN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 ZINC000034820432 IE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3ccnc3)ncc(F)c12 ZINC000034820945 IE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3cccn3)ncc(F)c12 ZINC000034820947 IE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ncco3)ccnc12 ZINC000034821154 IE Annotated Anodyne CC(C)c1cc(Cc2c(Cl)cc(-n3nc(C#N)c(O)nc3=O)cc2Cl)n[nH]c1=O ZINC000034842518 IE Annotated Mild N#Cc1ccc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000034845665 IE Annotated Mild Cc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 ZINC000034846702 IE Annotated Reactive O=c1c2ccccc2n(C/C(O)=N/C[C@@H]2CCCO2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000034857994 IE Annotated Mild O=c1c2ccccc2n(C/C(O)=N/C[C@H]2CCCO2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000034857995 IE Annotated Mild C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C/C(O)=N/Cc2ccco2)c(=O)c2sccc21 ZINC000034858204 IE Annotated Mild C[C@H]1CCCCN1C(=O)Cn1c(=O)n(C/C(O)=N/Cc2ccco2)c(=O)c2sccc21 ZINC000034858205 IE Annotated Mild COc1ccccc1CNC(=O)c1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C ZINC000034860689 IE Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc3[nH]cc(/C(O)=N/C4CCCCCC4)c(=O)c3c2)CC1 ZINC000034861244 IE Annotated Mild CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccccc3)c2)[nH]c1=O ZINC000034872908 IE Annotated Anodyne CO[C@H]1C[C@]2(CC[C@]3(O2)[C@]24CCC[C@](C)(C(=O)OC2)[C@@H]4[C@H](OC(C)=O)C[C@@]32CO2)CO1 ZINC000034950870 IE Annotated Anodyne CO[C@H]1C[C@@]2(CC[C@]3(O2)[C@]24CCC[C@](C)(C(=O)OC2)[C@@H]4[C@H](OC(C)=O)C[C@@]32CO2)CO1 ZINC000034950901 IE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000003534270 IE Annotated Anodyne Cc1ccn(NC(=O)c2ccc(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)nc2)n1 ZINC000003592320 IE Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3)[C@H]4C2=O)cc1OC ZINC000003625457 IE Annotated Anodyne NC(=O)C1CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(S)nc3c2)CC1 ZINC000003631263 IE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nc[nH]n3)ccc(F)c12 ZINC000003640138 IE Annotated Anodyne CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@H]1C1(CCC1)C(=O)N2C(=O)C1CC1 ZINC000003649689 IE Annotated Anodyne COC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000003775616 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)C[C@H]12 ZINC000003788719 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4ccc(N5CCCCC5)cc4)cc3)C[C@H]12 ZINC000003788723 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4ccc5ccccc5c4N)cc3)C[C@H]12 ZINC000003789106 IE Annotated Anodyne CN1CCC(c2c(O)cc(O)c3c2O/C(=C\c2ccc(S(N)(=O)=O)cc2)C3=O)CC1 ZINC000003814433 IE Annotated Mild CC#CCn1c(N2CCC[C@@H](N)C2)nc2cnn(Cc3nc(C)cc4ccccc34)c(=O)c21 ZINC000003820589 IE Annotated Mild Cc1c(N2C[C@@H](F)[C@@H](C3(N)CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000003821075 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc(C(N)=O)cc4)cs3)[C@H](C)[C@H]12 ZINC000003825031 IE Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCN(c5ccccn5)CC4)c(F)cc3c1=O)OC[C@H]2CF ZINC000003920927 IE Annotated Anodyne COc1ccc(C(=O)/C=C(\C)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)cc1 ZINC000003926633 IE Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N(C)OCc3ccccc3)S[C@H]12 ZINC000003927526 IE Annotated Anodyne CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12 ZINC000003941148 IE Annotated Anodyne NC(=O)c1cc(N(CCBr)CCBr)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003949441 IE Annotated Reactive CN(C)CCNC(=O)c1cc(C(=O)N=C(N)N)cc(-c2cc(Cl)sc2Cl)c1 ZINC000003952452 IE Annotated Mild N#CC(C#N)=C(Nc1cccc2cc[nH]c12)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000003955435 IE Annotated Reactive C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1 ZINC000003957674 IE Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1 ZINC000003957677 IE Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1 ZINC000003957685 IE Annotated Anodyne Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)n1 ZINC000003961693 IE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)CCOP(=O)(NCCCl)NCCCl)cc1 ZINC000003962994 IE Annotated Reactive CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 ZINC000003977853 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cc(C[n+]5ccccc5N)ccc4c3)C[C@H]12 ZINC000003981628 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C4=NCCN4)c4oc5ccccc5c4c3)C[C@H]12 ZINC000003981914 IE Annotated Anodyne O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc(N2C=CS(=O)(=O)CC2)c(F)c1 ZINC000003986752 IE Annotated Anodyne O=C(NC[C@H]1CN(c2ccc([C@@H]3C=CS(=O)(=O)CC3)cc2)C(=O)O1)C(Cl)Cl ZINC000003986757 IE Annotated Reactive O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)cc1 ZINC000003989200 IE Annotated Anodyne CC[C@@]1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000003989435 IE Annotated Anodyne O=Cc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000035003442 IE Annotated Anodyne O=Cc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000035003445 IE Annotated Anodyne COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(O)c(OC)cc4[nH]3)C[C@H]3C[C@]123 ZINC000035076374 IE Annotated Mild COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(O)cc4[nH]3)C[C@H]3C[C@]123 ZINC000035076375 IE Annotated Mild Cc1[nH]nc2c1[C@@H](c1ccc([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc1)C(C#N)=C(N)O2 ZINC000035278597 IE Annotated Reactive Cc1[nH]nc2c1[C@@H](c1ccc([C@@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc1)C(C#N)=C(N)O2 ZINC000035278602 IE Annotated Reactive Cc1[nH]nc2c1[C@H](c1ccc([C@@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc1)C(C#N)=C(N)O2 ZINC000035278612 IE Annotated Reactive CS(=O)(=O)c1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccccc32)cc1 ZINC000035323189 IE Annotated Mild C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)[C@H](O)[C@@]2(C)[C@H](C(=O)OC)[C@@]1(C)C(=O)OC ZINC000035827532 IE Annotated Mild in-vitro biogenic CCNc1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C ZINC000035902137 IE Annotated Anodyne COc1cc(C(=O)O[C@H](C)[C@H]2C(=O)N/C2=C\C(=O)OCc2ccccc2)cc(OC)c1O ZINC000035934392 IE Annotated Anodyne CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 ZINC000035997754 IE Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(CC)CC3)c21 ZINC000036067278 IE Annotated Anodyne CN1CC[C@]23c4c5ccc(OC(=O)C(C)(C)C)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 ZINC000036221931 IE Annotated Anodyne in-vivo CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@@H](N)[C@H](c4cc(F)c(F)cc4F)C3)n2)c1 ZINC000036310986 IE Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C(C=O)=C[C@@]43C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000036330346 IE Annotated Reactive COCCCNC(=O)[C@@]1(Cc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375516 IE Annotated Anodyne COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375583 IE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1c1ccc(O)cc1 ZINC000036376856 IE Annotated Anodyne CC1=C[C@@H](/C=C(\C)CC[C@H](O)[C@H](O)/C=C/C(=O)O)[C@@]2(O)C(=O)N[C@@H](CC(C)C)[C@H]2[C@H]1C ZINC000036378586 IE Annotated Anodyne CC1=C[C@@H](/C=C(\C)CC[C@H](O)[C@H](O)/C=C/C(=O)O)[C@@]2(O)C(=O)N[C@@H](CC(C)C)[C@H]2[C@@H]1C ZINC000036378587 IE Annotated Anodyne CC1=C[C@@H](/C=C(\C)CC[C@H](O)[C@H](O)/C=C/C(=O)O)[C@@]2(O)C(=O)N[C@@H](CC(C)C)[C@@H]2[C@H]1C ZINC000036378588 IE Annotated Anodyne CC1=C[C@@H](/C=C(\C)CC[C@H](O)[C@H](O)/C=C/C(=O)O)[C@@]2(O)C(=O)N[C@@H](CC(C)C)[C@@H]2[C@@H]1C ZINC000036378589 IE Annotated Anodyne C[C@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@@H]2C(=O)c2c(O)c([C@]3(O)CC[C@@H](O)[C@H]4O[C@H]43)c[nH]c2=O)C1 ZINC000036378815 IE Annotated Anodyne Oc1ccc(CCCC[C@@H](CCc2ccc(O)cc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000036378828 IE Annotated Anodyne Oc1ccc(CCCC[C@H](CCc2ccc(O)cc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000036378831 IE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(CC(C)C)C3=N1 ZINC000036381557 IE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(Cc2ccco2)C3=N1 ZINC000036381561 IE Annotated Anodyne C=CCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(CC=C)c1ccccc13 ZINC000036381566 IE Annotated Mild Cc1ccc(S(=O)(=O)N2CCN(c3nc(-n4cncn4)nc4ccccc34)CC2)cc1 ZINC000036382618 IE Annotated Anodyne C=CCN([C@@H](CC(C)C)C(=O)OC)S(=O)(=O)N(CC=C)[C@@H](CC(C)C)C(=O)OC ZINC000036382912 IE Annotated Mild COc1cccc(C(=O)O[C@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@]23O4)c1 ZINC000036383010 IE Annotated Anodyne COc1ccccc1C(=O)O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]12O3 ZINC000036383107 IE Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@H]4C2=O)cc1OC ZINC000036383557 IE Annotated Anodyne O=C1CC[C@@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@H]3C1 ZINC000036385245 IE Annotated Anodyne CCCSc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1OC ZINC000036386463 IE Annotated Anodyne CCSc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000036386524 IE Annotated Anodyne COc1cccc(C(=O)O[C@@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@@]32O4)c1 ZINC000036388013 IE Annotated Anodyne CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036388147 IE Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000036388541 IE Annotated Anodyne CCCCN1CC(=O)N2[C@H]3c4ccc(OC)cc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O ZINC000036389002 IE Annotated Anodyne CCCCN1CC(=O)N2[C@H]3c4cc(OC)ccc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O ZINC000036389011 IE Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(Cc3ccco3)C(=O)[C@@]12C ZINC000036389027 IE Annotated Anodyne O=C(Cn1ccc(NC(=O)OCc2ccccc2)nc1=O)NCc1nc2ccccc2[nH]1 ZINC000036389460 IE Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C(=O)O)OC(=O)[C@H]3O[C@]321 ZINC000036389505 IE Annotated Anodyne COC(=O)[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@@H]1[C@@]2(C)C=CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]13C ZINC000036389506 IE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 ZINC000036418422 IE Annotated Anodyne CO[C@H]1O[C@@H]2C[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@]3(O)[C@@H]3CC[C@]4(O)C[C@@H](O)CC[C@@]14[C@@H]23 ZINC000036445321 IE Annotated Anodyne COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6cc(OC)ccc6N(C(=O)OC)[C@]15CC2)[C@@]43O ZINC000036454690 IE Annotated Anodyne CCC(=O)N1N=C(NC(=O)C(C)(C)C)S[C@]1(CCNS(C)(=O)=O)c1ccccc1 ZINC000036489392 IE Annotated Anodyne CCC(=O)N1N=C(NC(=O)C(C)(C)C)S[C@@]1(CCNS(C)(=O)=O)c1ccccc1 ZINC000036489393 IE Annotated Anodyne Cc1cnc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C2(C)C)o1 ZINC000036518655 IE Annotated Anodyne CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cscn1 ZINC000036520089 IE Annotated Anodyne Cc1cc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C2(C)C)on1 ZINC000036520157 IE Annotated Anodyne O=C(CON[N+](=O)N1CCCC1)NCCCCN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000377815823 IE Annotated Anodyne Nc1c(-c2ccc(-c3c(N)[n+](=O)c4ccccc4n3O)cc2)n(O)c2ccccc2[n+]1=O ZINC000377840121 IE Annotated Anodyne Nc1c(-c2ccccc2-c2c(N)[n+](=O)c3ccccc3n2O)n(O)c2ccccc2[n+]1=O ZINC000377840976 IE Annotated Anodyne Cn1c(=N)n(C(=O)OCc2ccccc2)c(=O)c2c1ncn2C(=O)OCc1ccccc1 ZINC000377841278 IE Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(C[C@H](O)C(C)(C)OC)cc2c1/C=c1\nc(O)c(=C)nc1O ZINC000377853426 IE Annotated Mild CN(C)S(=O)(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000038147487 IE Annotated Anodyne CCOC(=O)C(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148272 IE Annotated Reactive CCOC(=O)C(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148273 IE Annotated Reactive CCOC(=O)C(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148276 IE Annotated Reactive CCOC(=O)C(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148277 IE Annotated Reactive CC(C)[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)CCC/C=C/CCC[C@H](CO)NC1=O ZINC000038154502 IE Annotated Anodyne CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 ZINC000038166911 IE Annotated Anodyne CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 ZINC000038166912 IE Annotated Anodyne CC(=O)O[C@@H]1C/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H]2[C@](C)(O)[C@H](O)C=C[C@]2(C)[C@H]1OC(C)=O ZINC000038216916 IE Annotated Anodyne COC(=O)C1=C2CC[C@]34CC[C@@H]5[C@@H](O)[C@@]67CC[C@]5(COC(C)=O)[C@](C1)(C6=NC[C@H]7C)[C@]23O4 ZINC000038246760 IE Annotated Anodyne CC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc21 ZINC000038320550 IE Annotated Anodyne CN(C)CCN1C(=O)CC[C@H](N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C1=O ZINC000038398977 IE Annotated Anodyne CN(C)CCN1C(=O)CC[C@@H](N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C1=O ZINC000038398978 IE Annotated Anodyne O=C(NC[C@H]1CN(c2cc(F)c([C@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)F ZINC000038460602 IE Annotated Anodyne O=C(NC[C@H]1CN(c2cc(F)c([C@@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)F ZINC000038460603 IE Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC)[C@@H](CO)[C@H]2CO)OCO4)cc(OC)c1OC ZINC000038513498 IE 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]3O ZINC000038560549 IE Annotated Mild in-vitro biogenic O=C1c2c(O)c(Cl)cc3c2[C@@]2(Oc4cc(Cl)c(O)c5c4[C@]3(O2)[C@@H]2O[C@@H]2C5=O)[C@@H]2O[C@H]12 ZINC000038657700 IE Annotated Anodyne NC[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccc(N)cc1 ZINC000038739081 IE Annotated Anodyne CC(/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)=C\c1ccccc1 ZINC000038758707 IE Annotated Reactive C[C@]1(CO)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C=C1C(=O)OC[C@@]12O ZINC000038799813 IE Annotated Bother 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]1C(=O)[C@@H]3OC(C)=O ZINC000038799900 IE Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)/C(=C\C)COC(=O)CC(C)(C)O)[C@H]12 ZINC000038840478 IE Annotated Anodyne CC1=C[C@@]2(O)[C@](O)(C(=O)[C@@H](C)CC[C@H]3OC(=O)C=C3C)[C@@H]3[C@H](CC[C@H]3C)[C@@H](C)[C@@]2(O)OC1 ZINC000038841130 IE Annotated Anodyne CCn1ncc2c(NC3CCOCC3)c(-c3nc(CC(=O)N4CCCC4)no3)cnc21 ZINC000038906537 IE Annotated Anodyne CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc(Br)s1 ZINC000039034140 IE Annotated Anodyne CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc(Br)s1 ZINC000039034141 IE Annotated Anodyne COc1cc([C@H]2[C@@H](O)N(C)C(=O)[C@]23CCCN3)c(Br)cc1Br ZINC000039182004 IE Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(c3ccccc3)CCOCC2)o1 ZINC000039485371 IE Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2(c3ccccc3)CCOCC2)o1 ZINC000039485372 IE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CC[C@H](OC(C)=O)[C@@]2(C)CO[C@H](OC(C)=O)[C@H]21)COC3=O ZINC000039596461 IE Annotated Mild in-vitro biogenic CCOC(=O)CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000004034458 IE Annotated Anodyne CCOC(=O)CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000004034459 IE Annotated Anodyne CCOC(=O)CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000004034460 IE Annotated Anodyne CCOC(=O)CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000004034461 IE Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOCCO ZINC000004039568 IE Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOCCO ZINC000004039574 IE Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004039579 IE Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004039581 IE Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039629 IE Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039631 IE Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039633 IE Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039635 IE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004040845 IE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004040848 IE Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)c1 ZINC000004041195 IE Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)c1 ZINC000004041197 IE Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)c1 ZINC000004041199 IE Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)c1 ZINC000004041201 IE Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049014 IE Annotated Bother C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049015 IE Annotated Bother C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049016 IE Annotated Bother C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049017 IE Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049054 IE Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049055 IE Annotated Bother CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049056 IE Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049057 IE Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049475 IE Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049476 IE Annotated Bother O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049477 IE Annotated Bother O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049478 IE Annotated Bother O=C([C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000004051354 IE Annotated Bother O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000004051356 IE Annotated Bother O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054936 IE Annotated Bother O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054937 IE Annotated Bother O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054938 IE Annotated Bother O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004054939 IE Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004054940 IE Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004054941 IE Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004054942 IE Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004054943 IE Annotated Bother COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3nnc(C)c-3c2N)cc1 ZINC000004057177 IE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000004097900 IE Annotated Anodyne in-vitro C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]4(C)[C@@H]2[C@H](O)C[C@@H]1C3 ZINC000004097903 IE Annotated Mild in-vitro biogenic CCOC(=O)N1CCC(NC(=O)Cn2ncn3c(cc4sc(CC)cc43)c2=O)CC1 ZINC000004101971 IE Annotated Anodyne O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NC[C@H]3COc4ccccc4O3)ccc21 ZINC000004111231 IE Annotated Anodyne O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NC[C@@H]3COc4ccccc4O3)ccc21 ZINC000004111234 IE Annotated Anodyne O=C(N[C@@]1(C(F)(F)F)C(=O)O[C@H]2CCC[C@H]21)NS(=O)(=O)c1ccccc1Cl ZINC000004127202 IE Annotated Anodyne O=C(N[C@@]1(C(F)(F)F)C(=O)O[C@H]2CCC[C@@H]21)NS(=O)(=O)c1ccccc1Cl ZINC000004127204 IE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCO ZINC000004152161 IE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCO ZINC000004152162 IE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCO ZINC000004152163 IE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCO ZINC000004152164 IE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCOCCO ZINC000004152550 IE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCOCCO ZINC000004152551 IE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCOCCO ZINC000004152553 IE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCOCCO ZINC000004152554 IE Annotated Anodyne O=C(COc1cc(Cl)ccc1Cl)Nc1nnc(CC(=O)N2CCOCC2)s1 ZINC000004196941 IE Annotated Anodyne O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205886 IE Annotated Bother O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205891 IE Annotated Bother O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205894 IE Annotated Bother O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004205898 IE Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004205900 IE Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004205901 IE Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004205904 IE Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004205907 IE Annotated Bother COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238407 IE Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCNCC4)nc32)c1 ZINC000004238680 IE Annotated Anodyne aggregator COc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238734 IE Annotated Anodyne COc1ccc(-n2c(=O)c(-c3cccc(C#N)c3)nc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238860 IE Annotated Mild O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1 ZINC000004238935 IE Annotated Anodyne aggregator COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3cccs3)c2=O)cc1 ZINC000004239086 IE Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1 ZINC000004239186 IE Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004381766 IE Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004381771 IE Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004381778 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000004381827 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000004381828 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000004381829 IE Annotated Anodyne CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000004400685 IE Annotated Anodyne CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000004400686 IE Annotated Anodyne COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1OC ZINC000004435893 IE Annotated Anodyne CCn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000004437251 IE Annotated Anodyne O=C1NN(c2ccc(Cl)cc2)C(=O)[C@@]2(CSC3=C2C(=O)c2ncccc2C3=O)N1 ZINC000040379595 IE Annotated Mild O=C1NN(c2ccc(Cl)cc2)C(=O)[C@]2(CSC3=C2C(=O)c2ncccc2C3=O)N1 ZINC000040379596 IE Annotated Mild CCOC(=O)C[C@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(=O)OCC ZINC000040380556 IE Annotated Anodyne CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(=O)OCC ZINC000040380557 IE Annotated Anodyne CCOC(=O)C[C@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(=O)OCC ZINC000040380558 IE Annotated Anodyne CCOC(=O)C[C@@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(=O)OCC ZINC000040380559 IE Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccco3)CC2)c(F)c1 ZINC000040380700 IE Annotated Anodyne C[C@@H]1CCCCN1/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040390773 IE Annotated Clean C[C@H]1CCCCN1/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040390776 IE Annotated Clean CCCCSc1nc(N2CC(O)C2)c2nc(O)c(=O)n(Cc3ccc(F)cc3)c2n1 ZINC000040392526 IE Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)N1CCCCC1 ZINC000040392822 IE Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)N1CCCCC1 ZINC000040392823 IE Annotated Anodyne C#CCCCO/N=C1/[C@H]2CCN3C(=O)N([C@@H](CC)c4ccccc4)CN3[C@H]2[C@H](O)[C@@H]2O[C@H]12 ZINC000040402142 IE Annotated Mild O=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-])c1cc(=O)[nH]c(=O)[nH]1 ZINC000040403454 IE Annotated Bother O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccccn3)CC2)c(F)c1 ZINC000040406444 IE Annotated Anodyne N#Cc1ccc([C@@H](c2ccc(OS(N)(=O)=O)c(Br)c2)n2cncn2)cc1 ZINC000040410914 IE Annotated Mild N#Cc1ccc([C@H](c2ccc(OS(N)(=O)=O)c(Br)c2)n2cncn2)cc1 ZINC000040410917 IE Annotated Mild CCCNC(=O)NCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCCC3)O2)nn1 ZINC000040412517 IE Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CC[C@@](C)(COC(C)=O)[C@H]1C=O ZINC000040420589 IE Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]3OC(C)=O ZINC000040420905 IE Annotated Mild in-vitro biogenic CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccoc5)cc43)nn2)CC1 ZINC000040421449 IE Annotated Anodyne COc1cc(/C=C(\C(C)=O)C(=O)N2CCN(Cc3nc(C)c(C)nc3C)CC2)ccc1O ZINC000040423315 IE Annotated Mild CCCOc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCN(C)CC2)o1 ZINC000040423777 IE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(OC(C)=O)cc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 ZINC000040424181 IE Annotated Anodyne COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/COCC(=O)O)C[C@H]3C[C@H]1O)O2 ZINC000040434486 IE Annotated Anodyne Cn1c(=O)/c(=C/c2ccc(OCCCc3cccnc3)cc2)[nH]c(=O)/c1=C/c1ccccc1 ZINC000040449434 IE Annotated Anodyne CCCN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2[C@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 ZINC000040488518 IE Annotated Anodyne NC[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccc(N)cc1 ZINC000040492029 IE Annotated Anodyne COC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]3CC[C@@]4(OCO[C@]45COCO5)[C@@]3(C)CC(=O)[C@H]21 ZINC000040498113 IE Annotated Anodyne COC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]3CC[C@@]4(OCO[C@]45COCO5)[C@@]3(C)CC(=O)[C@@H]21 ZINC000040498114 IE Annotated Anodyne COC(=O)CC[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@@]4(OCO[C@]45COCO5)[C@@]3(C)CC(=O)[C@H]21 ZINC000040498116 IE Annotated Anodyne CC1(C)C=C(C(=O)NC[C@H](O)CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)N1 ZINC000040503699 IE Annotated Anodyne CC1(C)C=C(C(=O)NC[C@@H](O)CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)N1 ZINC000040503701 IE Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3OC(=O)c2cccnc2)C1=O ZINC000040504782 IE Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3OC(=O)c2cccnc2)C1=O ZINC000040504785 IE Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](c4ccc(C(C)(C)N)cc4)C3)[C@H](C)[C@H]12 ZINC000040505790 IE Annotated Anodyne CCNCc1ccc([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 ZINC000040505887 IE Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1NCc1ccccc1 ZINC000040506119 IE Annotated Anodyne COc1c(N2C[C@H]3C[C@@H]2CN3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 ZINC000040533653 IE Annotated Anodyne Cc1cccc(C(=O)N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1 ZINC000040556610 IE Annotated Anodyne O[C@](CN1CCN(Cc2ccccc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000040564099 IE Annotated Anodyne O[C@@](CN1CCN(Cc2ccccc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000040564102 IE Annotated Anodyne CCOC(=O)[C@@]1(C)CSC(c2ccc(OCCOCCOCCOC)cc2O)=N1 ZINC000040564772 IE Annotated Anodyne NCCCNCCCCNCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040585052 IE Annotated Anodyne CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC3=NCCN3)[C@H]2SC1 ZINC000040639286 IE Annotated Anodyne CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC3=NCCN3)[C@@H]2SC1 ZINC000040639288 IE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CSc4ccccc4)C3)[C@H](C)[C@H]12 ZINC000040639546 IE Annotated Anodyne Nc1c(F)c(N2C[C@H]3CC[C@H]4C[C@@]4(N)[C@H]3C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F ZINC000040741652 IE Annotated Anodyne O[C@](CN1CCN(Cc2ccc(F)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000040762293 IE Annotated Anodyne O[C@@](CN1CCN(Cc2ccc(F)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000040762295 IE Annotated Anodyne Cc1ccccc1C(=O)N1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000040763298 IE Annotated Anodyne Cc1ccccc1C(=O)N1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000040763299 IE Annotated Anodyne O=C(c1ccc(F)cc1)N1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000040763423 IE Annotated Anodyne O=C(c1ccc(F)cc1)N1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000040763424 IE Annotated Anodyne Cc1ccc(C(=O)N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000040763468 IE Annotated Anodyne Cc1ccc(C(=O)N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000040763469 IE Annotated Anodyne 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 ZINC000040801254 IE Annotated Anodyne 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 ZINC000040801257 IE Annotated Anodyne Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)cc1 ZINC000040846628 IE Annotated Anodyne COc1ccc(N2CCc3c(-n4ccc(N5CCNS5(=O)=O)n4)cc(C)nc32)c(C)c1 ZINC000040847086 IE Annotated Anodyne Cc1nnc2n1-c1ccc(NC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc1CC2 ZINC000040867184 IE Annotated Anodyne CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)[C@@H](OC(C)=O)[C@@H](C)C(=O)O[C@H]2[C@@H]1C ZINC000040872909 IE Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](OC)[C@@H](CO)[C@H]2CO)OCO4)cc(OC)c1OC ZINC000040873360 IE Annotated Anodyne CN1C(=O)/C(=C/c2ccc(/C=C/C(=O)N3CCN(CCO)CC3)s2)Oc2ccccc21 ZINC000040874071 IE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)C3 ZINC000040874177 IE Annotated Mild in-vitro biogenic CCC[C@H]1C(=O)N([C@@H](CCC(=O)OC)Sc2ccc(OC)cc2)S(=O)(=O)N1C ZINC000040875997 IE Annotated Anodyne CCC[C@H]1C(=O)N([C@H](CCC(=O)OC)Sc2ccc(OC)cc2)S(=O)(=O)N1C ZINC000040876000 IE Annotated Anodyne C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H](OC(C)=O)C1 ZINC000040877377 IE Annotated Mild CCCCO[C@@H](COCn1nnc2ccccc21)CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000040878964 IE Annotated Bother CCCCO[C@H](COCn1nnc2ccccc21)CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000040878968 IE Annotated Bother C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@@H]2O[C@@H]2[C@H](O)O1 ZINC000040894047 IE Annotated Mild O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000040897530 IE Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccoc3)CC2)c(F)c1 ZINC000040898018 IE Annotated Anodyne CNc1sc(C)nc1-c1ccc(CCN2CCN(CC(=O)CNC(C)=O)CC2)cc1 ZINC000040913392 IE Annotated Anodyne O=C(C[C@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-] ZINC000040913588 IE Annotated Bother O=C(C[C@@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-] ZINC000040913590 IE Annotated Bother CN1CCN(CCCCN2C(=O)CN(/N=C3\CCOc4ccc(Cl)cc43)C2=O)CC1 ZINC000040914747 IE Annotated Mild O=C(C[C@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000040915143 IE Annotated Bother O=C(C[C@@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000040915145 IE Annotated Bother O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3cccnc3)CC2)c(F)c1 ZINC000040915528 IE Annotated Anodyne COc1cc(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)n[nH]c2=O)cc(OC)c1OC ZINC000040916761 IE Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000040919020 IE Annotated Bother CCCNC(=O)NCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(CC)CC)O2)nn1 ZINC000040933698 IE Annotated Mild NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000040935753 IE Annotated Reactive NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000040935755 IE Annotated Reactive CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cscn1)n2CCC(N)=O ZINC000040936087 IE Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cncs1)n2CCC(N)=O ZINC000040936089 IE Annotated Anodyne C=C1C(=O)[C@@]23COC[C@]4([C@@H](OC(C)=O)CC[C@@](C)(COC(C)=O)[C@H]4CO)[C@@H]2CC[C@@H]1C3 ZINC000040936910 IE Annotated Mild CCN1C(=O)[C@@H]2[C@@H](N=CN2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000040938399 IE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](N=CN2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000040938401 IE Annotated Anodyne CCN1C(=O)[C@@H]2[C@H](N=CN2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000040938403 IE Annotated Anodyne CCN1C(=O)[C@H]2[C@H](N=CN2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000040938405 IE Annotated Anodyne Nc1nc(NCc2ccccc2)nc2c1nc(O)n2Cc1cccc(CP(=O)(O)O)c1 ZINC000040939867 IE Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)s1 ZINC000040940462 IE Annotated Bother CC[C@H]1[C@H]2[C@@H](CCCN3C([C@@H]4C[C@H](C)C(=O)O4)=CC(=O)[C@@]23OC)O[C@]12C=C(C)C(=O)O2 ZINC000040943362 IE Annotated Mild in-vitro biogenic COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ncccn5)CC4)cc3n(C)c2c1 ZINC000040951536 IE Annotated Bother CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)cc1 ZINC000040954145 IE Annotated Anodyne O=C(C1CCCC1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000040974460 IE Annotated Anodyne NC1=CC(=O)c2ccc(-c3nc(C(=O)OCCO)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000040975161 IE Annotated Mild C=C1[C@H]2CC3=C[C@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H](OC(C)=O)[C@@]4(C)[C@@]34OO[C@]1(O)[C@H]4[C@H]2O ZINC000042852646 IE Annotated Reactive CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CNCCN(C)C)o1 ZINC000042887568 IE Annotated Anodyne COc1cc(C)cc2c1C(=O)C(N)=C(c1c(C)cc3c(c1OC)C(=O)C(N)=CC3=O)C2=O ZINC000042888656 IE Annotated Mild NC(=O)CC[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000042989783 IE Annotated Reactive Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)CC(C)C)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043009092 IE Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C5CCC5)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043015643 IE Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C(C)(C)C)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043058902 IE Annotated Anodyne COc1ccc(-c2n[nH]cc2/C=N/n2c(C)nn(CN3CCN(C)CC3)c2=S)cc1 ZINC000043061774 IE Annotated Mild CCS(=O)(=O)c1ccc2oc(/C(Cl)=N/OC[C@H](O)CN3CCCCC3)nc2c1 ZINC000043070312 IE Annotated Mild CCS(=O)(=O)c1ccc2oc(/C(Cl)=N/OC[C@@H](O)CN3CCCCC3)nc2c1 ZINC000043070318 IE Annotated Mild CCOP(=O)(OCC)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043072083 IE Annotated Clean Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C(C)C)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043073878 IE Annotated Anodyne CC[C@@H](C)C(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043076139 IE Annotated Anodyne CC[C@H](C)C(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043076143 IE Annotated Anodyne CCOC(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043121234 IE Annotated Anodyne Cc1cc2cc(N/C(=N\C#N)N[C@H]3CCCCN(CC(=O)N4C[C@H]5C[C@H]5C4)C3=O)ccc2o1 ZINC000043121616 IE Annotated Mild CCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2C[C@H](C)N[C@H](C)C2)o1 ZINC000043196287 IE Annotated Anodyne O=C(O)Cn1nnc(-c2cc(OCCCOc3cc(F)ccc3Br)no2)n1 ZINC000043200414 IE Annotated Anodyne Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1 ZINC000043200768 IE Annotated Anodyne COc1cc(/C=c2\[nH]c3n(c2=O)[C@@H](c2ccc(F)cc2)CCN=3)ccc1-n1cnc(C)c1 ZINC000043203349 IE Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(N3CCCNS3(=O)=O)c3cc(Cl)ccc32)ccn1 ZINC000043204835 IE Annotated Anodyne COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CO)cc2)CC3)cc1 ZINC000043206819 IE Annotated Anodyne O=C(Nc1ccc(Cn2cnc3nc[nH]c(=O)c32)cc1)c1cccc(S(=O)(=O)F)c1 ZINC000043356713 IE Annotated Unstable C=CC(C)(C)[C@@]12C=C(OC)C(=O)N3/C(=C/c4cnc[nH]4)C(=O)N[C@]31N(OC)c1ccccc12 ZINC000043509670 IE Annotated Mild CN(C)/[N+]([O-])=N/Oc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043617604 IE Annotated Reactive CC(=O)Oc1ccccc1C(=O)Oc1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043617609 IE Annotated Reactive O=C(Nc1ccc(Cn2cnc3nc[nH]c(=O)c32)cc1)c1ccc(S(=O)(=O)F)cc1 ZINC000043871866 IE Annotated Unstable CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000004546046 IE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000004546048 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)Cc2ccccc2OC)C1 ZINC000004547597 IE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)Cc2ccccc2OC)C1 ZINC000004547606 IE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)Cc2ccccc2OC)C1 ZINC000004547614 IE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)Cc2ccccc2OC)C1 ZINC000004547616 IE Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000004547841 IE Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000004547846 IE Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000004547847 IE Annotated Anodyne O=C(NCCCN1CCCCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000004576184 IE Annotated Anodyne O=C(NCCCN1CCCCCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000004576187 IE Annotated Anodyne COCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O ZINC000004662728 IE Annotated Anodyne CC(C)(C)NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000004710436 IE Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@@H]3CCCO3)c21 ZINC000004758799 IE Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@H]3CCCO3)c21 ZINC000004758801 IE Annotated Anodyne COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)c2cc1OC ZINC000004792602 IE Annotated Anodyne CCN1CCC[C@@H]1COC(=O)C(O)(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000045188279 IE Annotated Anodyne CCN1CCC[C@H]1COC(=O)C(O)(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000045188282 IE Annotated Anodyne COc1cccc(C(=O)O[C@@H]2CO[C@@H]3[C@@H](OC(=O)c4ccccc4OC(C)=O)CO[C@H]23)c1 ZINC000045245190 IE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3C)CO[C@H]12 ZINC000045245348 IE Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)CN2C(=O)[C@H](C)NC2(C)C)c2ncccc2c1 ZINC000045246050 IE Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)CN2C(=O)[C@H](C)NC2(C)C)c2ncccc2c1 ZINC000045246051 IE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC000045253259 IE Annotated Bother Cc1nonc1C(=O)Nc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2nonc2C)cc1 ZINC000045253379 IE Annotated Anodyne Cc1nonc1C(=O)Nc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2nonc2C)cc1 ZINC000045253381 IE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccc(C#N)cc3)CO[C@H]12 ZINC000045253690 IE Annotated Mild COc1ccc(CCN2C(=O)N(NS(=O)(=O)CF)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000045254896 IE Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncc(S(C)(=O)=O)cn3)cc(-c3cccnc3)cc2n1 ZINC000045254954 IE Annotated Anodyne CCOC(=O)c1cn2c(n1)c(C(=O)N(CC)CC)c(N1CCN(C)CC1)c1cccnc12 ZINC000045255907 IE Annotated Anodyne N=C(N)NCCCCNC(=O)[C@@H]1c2cc(/C=C/C(=O)O)ccc2O[C@H]1c1ccc(O)cc1 ZINC000045256406 IE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccc(C)cc3)CO[C@H]12 ZINC000045257740 IE Annotated Anodyne CNC(=O)c1cccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c1OC ZINC000045258101 IE Annotated Anodyne CNC(=O)c1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c1OC ZINC000045258106 IE Annotated Anodyne Cc1c2c(nn1CC(=O)N/N=C/c1ccc(F)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000045259370 IE Annotated Reactive COc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@@H](OC(=O)c3ccccc3OC(C)=O)CO[C@H]12 ZINC000045261214 IE Annotated Anodyne O=S(=O)(Nc1ccc2c(c1)/C(=N/NC1=NCCN1)CC2)c1c(Cl)nc2sccn12 ZINC000045284183 IE Annotated Mild CNC(=O)c1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1OC ZINC000045286590 IE Annotated Anodyne CNC(=O)c1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1OC ZINC000045286592 IE Annotated Anodyne CN(c1ccc2c(c1)/C(=N/NC(=N)N)CC2)S(=O)(=O)c1c(Cl)nc2sccn12 ZINC000045287521 IE Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(C)=O)C[C@]1(C)N ZINC000045298452 IE Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(C)=O)C[C@@]1(C)N ZINC000045298454 IE Annotated Mild COc1cccc(/C=N/NC(=O)Cn2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)c1 ZINC000045300855 IE Annotated Reactive CCO/N=C1/CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H](C)COC)C[C@@]1(C)N ZINC000045301515 IE Annotated Mild CCO/N=C1/CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H](C)COC)C[C@]1(C)N ZINC000045301517 IE Annotated Mild N=C(N)NCCCCNC(=O)[C@H]1c2cc(/C=C/C(=O)O)ccc2O[C@@H]1c1ccc(O)cc1 ZINC000045315112 IE Annotated Anodyne NC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1 ZINC000045316738 IE Annotated Anodyne COc1ccc(C(=O)O[C@@H]2CO[C@@H]3[C@@H](OC(=O)c4ccccc4OC(C)=O)CO[C@H]23)cc1 ZINC000045320508 IE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cccc(C)c3)CO[C@H]12 ZINC000045320991 IE Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CC(=O)O)c(=O)c3)cc2n1 ZINC000045321218 IE Annotated Anodyne CCc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 ZINC000045321453 IE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cnccc3Cl)CO[C@H]12 ZINC000045323164 IE Annotated Anodyne CNC(=O)NC1=NC(C)(C)N(OCc2ccc(Cl)c(Cl)c2)C(NC(=O)NC)=N1 ZINC000045334779 IE Annotated Anodyne COC(=O)NCCc1n[nH]c2c1C(=O)c1c(OC)c(Cl)c(Cl)c(OC)c1C2=O ZINC000045338516 IE Annotated Clean C[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)OCc1ccccc1 ZINC000045347269 IE Annotated Anodyne NC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000045350940 IE Annotated Anodyne O=C(N[C@H]1C=C[C@@H](O)C1)OC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1 ZINC000045358001 IE Annotated Anodyne O=S(=O)(c1ccc(O)c(O)c1)N(C1CCCCC1)S(=O)(=O)c1ccc(O)c(O)c1 ZINC000045371125 IE Annotated Clean COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)C[C@@H](C#N)N1[C@H]2CO ZINC000045384886 IE Annotated Mild Cc1ccc(SCCNCC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000045385308 IE Annotated Anodyne CN(C)C(=O)OC1=CC2=C3c4ccc(OC(=O)N(C)C)cc4OC[C@@]3(O)CC2=CC1=O ZINC000045388527 IE Annotated Mild CN(C)C(=O)OC1=CC2=C3c4ccc(OC(=O)N(C)C)cc4OC[C@]3(O)CC2=CC1=O ZINC000045388530 IE Annotated Mild O=C1O[C@@H](COC(=O)N2O[C@H]3C=C[C@@H]2CC3)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000045389908 IE Annotated Anodyne O=C1O[C@@H](COC(=O)N2O[C@@H]3C=C[C@H]2CC3)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000045389912 IE Annotated Anodyne COCCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O ZINC000045390897 IE Annotated Anodyne Cn1cc(C(=O)/N=C2\SC[C@](C)(O)N2c2ccc(I)cc2)cn1 ZINC000473086085 IE Annotated Mild Cn1cc(C(=O)/N=C2\SC[C@@](C)(O)N2c2ccc(I)cc2)cn1 ZINC000473086089 IE Annotated Mild COc1ccc(CN(C)C(=O)n2cnc(S(=O)(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)c(OC)c1 ZINC000473089854 IE Annotated Anodyne COC(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c[nH]1)CC2 ZINC000473090974 IE Annotated Anodyne Cc1cc(O)c2c3c(ncc2c1)C(=O)c1c(O[C@H]2C[C@@H](O)[C@@H](O)[C@H](C)O2)cccc1C3=O ZINC000473091705 IE Annotated Clean CCn1cc(-c2nnc(S)n2-c2nc3ccccc3[nH]c2=O)c(=O)c2ccc(C)nc21 ZINC000473099638 IE Annotated Anodyne C=CC(=O)Nc1ccccc1Oc1nc(N=c2cc(C)[nH][nH]2)cc(N2CCN(C)CC2)n1 ZINC000473109210 IE Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC(F)(F)[C@@H]4N)[nH]c23)c(C(F)F)n1 ZINC000473109884 IE Annotated Anodyne O=C1NCCCC[C@H]1Nc1nc(N2CCOCC2)nc(O)c1-c1nc2ccccc2s1 ZINC000473112142 IE Annotated Anodyne C=Cc1c(C)nn(CCCN2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c(=O)c1N ZINC000473112237 IE Annotated Anodyne O=C(CNCc1ccc(Cl)cc1)N[C@]1(CO)CSC2=C1C(=O)c1ccccc1C2=O ZINC000473113719 IE Annotated Mild O=C(CNCc1ccc(Cl)cc1)N[C@@]1(CO)CSC2=C1C(=O)c1ccccc1C2=O ZINC000473113720 IE Annotated Mild Clc1ncnc2c1ncn2CCCn1cc(Cn2cnc3c(Cl)ncnc32)nn1 ZINC000473114978 IE Annotated Anodyne Cc1cc2c(-c3cncc(NS(C)(=O)=O)c3)cnc(NC3CCNCC3)c2nc1O ZINC000473120087 IE Annotated Anodyne COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C[C@@H](O)CN(C)C)CC2)nc2ccccc12 ZINC000473120182 IE Annotated Anodyne COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C[C@H](O)CN(C)C)CC2)nc2ccccc12 ZINC000473120187 IE Annotated Anodyne COC(=O)[C@@]1([C@@H](C[N+](=O)[O-])c2ccccc2)C[C@]2(C)c3ccccc3C[C@@H](CO)N2C1=O ZINC000473126409 IE Annotated Bother COC(=O)[C@]1([C@H](C[N+](=O)[O-])c2ccccc2)C[C@]2(C)c3ccccc3C[C@@H](CO)N2C1=O ZINC000473126410 IE Annotated Bother COC(=O)[C@]1([C@@H](C[N+](=O)[O-])c2ccccc2)C[C@]2(C)c3ccccc3C[C@@H](CO)N2C1=O ZINC000473126411 IE Annotated Bother COC(=O)[C@@]1([C@H](C[N+](=O)[O-])c2ccccc2)C[C@]2(C)c3ccccc3C[C@@H](CO)N2C1=O ZINC000473126412 IE Annotated Bother CNS(=O)(=O)c1ccccc1-c1cnc2c3n[nH]cc3c(=O)n(CC(F)(F)F)c2c1 ZINC000473132416 IE Annotated Anodyne Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2)cn1 ZINC000473134076 IE Annotated Anodyne CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)NCCOC)nc21 ZINC000473134431 IE Annotated Anodyne CC(C)C1=C2[C@H]3CC=C4[C@H]5O[C@H]6CO[C@H]7O[C@@H]([C@@H]4[C@@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1 ZINC000473134791 IE Annotated Anodyne Cc1c([C@@H](N)CN2CCC3(CC2)CC(=O)N(c2ccc(C#N)cn2)C3)ccc2c1COC2=O ZINC000473135428 IE Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)OCCCCc2cnnn2CCCO)cc1OC(C)=O ZINC000473136010 IE Annotated Anodyne C[C@](O)(CO)c1ccc(-c2ncc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)c(Cl)c1 ZINC000473136188 IE Annotated Anodyne C[C@@](O)(CO)c1ccc(-c2ncc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)c(Cl)c1 ZINC000473136191 IE Annotated Anodyne Cn1c(S(=O)(=O)c2ccc(=N)[nH]c2)cnc1-c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000473136426 IE Annotated Anodyne Cn1c(S(=O)(=O)c2ccc(=N)[nH]c2)cnc1-c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000473136427 IE Annotated Anodyne Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2ccc(C#N)cn2)C3)ccc2c1COC2=O ZINC000473137202 IE Annotated Mild O=C1CN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CCN1 ZINC000473149622 IE Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000473151294 IE Annotated Bother COC1CCN(C(=O)c2ccc(Cn3nnc4c3C(=O)c3ccccc3C4=O)cc2)CC1 ZINC000473152441 IE Annotated Clean NNC(=O)c1c[nH]c2ccc(F)cc2c1=Nc1ccc(OCCCN2CCOCC2)cc1 ZINC000473152870 IE Annotated Reactive COc1c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)cc(CN=c2nn[nH][nH]2)c1[N+](=O)[O-] ZINC000473152879 IE Annotated Bother COc1cc(CN=c2nn[nH][nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000473154073 IE Annotated Bother N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1[N+](=O)[O-] ZINC000473155196 IE Annotated Mild Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CC(F)(F)CC[C@@H]4N)[nH]c23)c(C(F)F)n1 ZINC000473168077 IE Annotated Anodyne CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCF ZINC000473170121 IE Annotated Anodyne Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c(-n2nccn2)c1 ZINC000473170599 IE Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc4ccccc4[nH]2)C3)n1 ZINC000473170629 IE Annotated Anodyne Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c(-n2ccnn2)c1 ZINC000473170696 IE Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)n1 ZINC000473170697 IE Annotated Anodyne CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)N1CC(F)C1 ZINC000473170845 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C(=O)OC)C(C)C)c(=O)n(C)c3nc12 ZINC000473172477 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C(=O)OC)C(C)C)c(=O)n(C)c3nc12 ZINC000473172482 IE Annotated Anodyne O=C(c1c(F)cccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179369 IE Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c(-n2nccn2)n1 ZINC000473179579 IE Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179586 IE Annotated Anodyne O=C(c1ccc(F)cc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179590 IE Annotated Anodyne O=C(c1cc(F)ccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179605 IE Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c(-n2ccnn2)n1 ZINC000473179618 IE Annotated Anodyne COC(=O)c1c[nH]c(=N[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1 ZINC000473179627 IE Annotated Anodyne COC(=O)c1c[nH]c(=N[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1 ZINC000473179628 IE Annotated Anodyne CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(Cc2ccncn2)C3=O)C[C@@H]1C ZINC000473198016 IE Annotated Mild CO[C@H]1CC[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(Cc2ccncn2)C3=O)C[C@@H]1C ZINC000473198019 IE Annotated Mild CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(Cc2ccncn2)C3=O)C[C@@H]1C ZINC000473198022 IE Annotated Mild CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(Cc2ncccn2)C3=O)C[C@@H]1C ZINC000473198096 IE Annotated Mild CO[C@H]1CC[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(Cc2ncccn2)C3=O)C[C@@H]1C ZINC000473198099 IE Annotated Mild CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(Cc2ncccn2)C3=O)C[C@@H]1C ZINC000473198102 IE Annotated Mild Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C2CC2)no1 ZINC000473229059 IE Annotated Mild Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3C[C@@]4(CO)CC[C@H]3C4)c2c1=O ZINC000473238112 IE Annotated Anodyne Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)no1 ZINC000473245191 IE Annotated Mild COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4[nH]c(=N)n3n2)[C@H](C)C1 ZINC000473247187 IE Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4cnn(C(C)(C)C)c4)C[C@H]3C)nc21 ZINC000473248371 IE Annotated Anodyne COc1ccc(N2CCN(Cc3nc4c5cccc(OC)c5[nH]c(=N)n4n3)[C@H](C)C2)cc1 ZINC000473249045 IE Annotated Clean COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4sc(C)nc4C)C[C@H]3C)nc21 ZINC000473249047 IE Annotated Anodyne COc1cccc(N2CCN(Cc3nc4c5cccc(OC)c5[nH]c(=N)n4n3)[C@H](C)C2)c1 ZINC000473249357 IE Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)CN3CCOCC3)[C@H]12 ZINC000473249387 IE Annotated Mild N=c1nc2c(c[nH]1)C[C@H](CNC(=O)c1cc(Br)c(Br)[nH]1)CC2 ZINC000474607898 IE Annotated Anodyne N=c1nc2c(c[nH]1)C[C@@H](CNC(=O)c1cc(Br)c(Br)[nH]1)CC2 ZINC000474607907 IE Annotated Anodyne CN(CCN)Cc1c[nH]nc1-c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000474609276 IE Annotated Anodyne Cc1cc(C#N)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(N)nc(F)c2F)c1 ZINC000049034815 IE Annotated Mild COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CC(N)C3)c3ccccc32)c2ccccc12 ZINC000049037219 IE Annotated Anodyne COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CC(N)C3)c3ccccc32)c2ccccc12 ZINC000049037221 IE Annotated Anodyne Cc1nnsc1/C(Br)=C(/NC(=O)c1ccccc1)C(=O)N1CCOCC1 ZINC000049055583 IE Annotated Anodyne CCCN(CCOC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049066928 IE Annotated Anodyne C[C@H](O)c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 ZINC000049068106 IE Annotated Anodyne C[C@@H](O)c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 ZINC000049068108 IE Annotated Anodyne CC(C)(CO)Nc1nccc(N(CC2CCNCC2)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000049072346 IE Annotated Anodyne COCCN(C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1)C(C)C ZINC000049072797 IE Annotated Anodyne N=c1oc2c(O)cccc2cc1C(=O)NCCCNC(=O)c1cc2cccc(O)c2oc1=N ZINC000049088220 IE Annotated Anodyne Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCN3CCS(=O)(=O)CC3)ccc1C2=O ZINC000049088398 IE Annotated Anodyne CCN(CCOC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049112412 IE Annotated Anodyne COC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)C(C)(C)[C@@]2(O)C#CCCCCBr ZINC000049112440 IE Annotated Reactive CCOCCn1nc(C)c2nc(N3CCC(C(N)=O)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000049112979 IE Annotated Anodyne O=C1Nc2ccc(S(=O)(=O)NCCCCCCOP(=O)(O)O)c3cccc1c23 ZINC000049113335 IE Annotated Anodyne COc1cc2oc3c(S(=O)(=O)NC4CC4)c(OC)cc(OC)c3c(=O)c2cc1OC ZINC000049115869 IE Annotated Bother Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccs2)C1 ZINC000049694032 IE Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccs2)C1 ZINC000049694033 IE Annotated Anodyne C/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12 ZINC000049709152 IE Annotated Mild O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)NCCS(=O)(=O)O ZINC000049784142 IE Annotated Reactive CC1(C)S[C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2[C@H]1C(=O)NCc1ccccc1 ZINC000049784473 IE Annotated Anodyne CNC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)OC)cc35)cc2c1 ZINC000049784750 IE Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)[C@H](O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1 ZINC000049792851 IE Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)[C@@H](O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1 ZINC000049792852 IE Annotated Mild C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+](=O)c(C(=O)Nc1ccccc1)c(C)n2O ZINC000049802814 IE Annotated Anodyne Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccccc3[N+](=O)[O-])c(=O)c12 ZINC000049803256 IE Annotated Reactive Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3cccc([N+](=O)[O-])c3)c(=O)c12 ZINC000049803355 IE Annotated Reactive Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c(=O)c12 ZINC000049803434 IE Annotated Reactive COc1ccccc1/C=N\NC(=O)Cn1nc(Cc2ccccc2)c2onc(C)c2c1=O ZINC000049807489 IE Annotated Reactive CS(=O)(=O)O/N=C(/N)CCCCCCCCCCCCC(=N)NOS(C)(=O)=O ZINC000049867661 IE Annotated Mild CCC(=O)N(c1ccccc1)C1(c2ccccn2)CCN(CCn2nnn(CC)c2=O)CC1 ZINC000000603297 IE Annotated Anodyne COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1C)C2=O ZINC000000607070 IE Annotated Anodyne COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3ccccc3n1)C2=O ZINC000000607071 IE Annotated Anodyne Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(N)=O ZINC000000645292 IE Annotated Anodyne O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000000767134 IE Annotated Bother O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000000767136 IE Annotated Bother CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(C)=O)c1cc(C(N)=O)ccc1O2 ZINC000000768070 IE Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(C)=O)c1cc(C(N)=O)ccc1O2 ZINC000000768071 IE Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(C)=O)c1cc(C(N)=O)ccc1O2 ZINC000000768072 IE Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(C)=O)c1cc(C(N)=O)ccc1O2 ZINC000000768073 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000000768373 IE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769420 IE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769422 IE Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CO)c(OC)c1OC ZINC000000773819 IE Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CO)c(OC)c1OC ZINC000000773820 IE Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@H](O)CO)c(OC)c1OC ZINC000000775405 IE Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@@H](O)CO)c(OC)c1OC ZINC000000775406 IE Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NC[C@H](O)CO ZINC000000776298 IE Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NC[C@@H](O)CO ZINC000000776299 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)c1 ZINC000000786151 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000000786155 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O ZINC000000786158 IE Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000789971 IE Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000789973 IE Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000789975 IE Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000000789977 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CO)c1 ZINC000000790293 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000000790302 IE Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000790412 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000000790438 IE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000000790821 IE Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000791422 IE Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000000791576 IE Annotated Anodyne CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C[C@H]1CCCO1 ZINC000000924279 IE Annotated Anodyne CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C[C@@H]1CCCO1 ZINC000000924280 IE Annotated Anodyne C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000000990534 IE Annotated Anodyne O=C1CC[C@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@H]3C1 ZINC000005124870 IE Annotated Anodyne O=C1CC[C@@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@@H]3C1 ZINC000005124872 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)C(=O)CC/C(C)=C/[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000523041420 IE Annotated Mild COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3CS(=O)(=O)C[C@@H]32)OCO4)cc(OC)c1OC ZINC000052650346 IE Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@H]3CS(=O)(=O)C[C@H]23)OCO4)cc(OC)c1OC ZINC000052650354 IE Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(/N=N/C(=O)OC(C)(C)C)c(C)c(O)c3N1C[C@@H]1N[C@@H]12 ZINC000053127904 IE Annotated Clean O=[N+]([O-])c1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(O)c2ncccc12 ZINC000053226661 IE Annotated Clean O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc3cccnc3c2O)CC1 ZINC000053314291 IE Annotated Clean C=CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](O)(OCC)[C@@H]2C(=O)OCC)cc1OC ZINC000005543777 IE Annotated Mild C=CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](O)(OCC)[C@H]2C(=O)OCC)cc1OC ZINC000005543779 IE Annotated Mild C=CCOc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](O)(OCC)[C@H]2C(=O)OCC)cc1OC ZINC000005543780 IE Annotated Mild Nc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)c2nc3c(=O)nc(S)[nH]c3[nH]2)cc1 ZINC000005545766 IE Annotated Anodyne Cc1[nH]c(=O)nc(NCCNCCO)c1C(=O)Nc1c2ccccc2nc2ccccc12 ZINC000005581691 IE Annotated Clean CN(C)c1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1 ZINC000005582420 IE Annotated Anodyne O=C1N/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc(cc2)/C=N\NC1=O ZINC000005597082 IE Annotated Anodyne CN(C)CCCNC(=O)c1cc2/c(=C\c3ccc(N(C)C)cc3)c3ccccc3n2[n+]1C ZINC000005597210 IE Annotated Clean C[C@H]1CC(=O)[C@@H](CC(=O)O)[C@H]1[C@H](C(=O)C(=O)Nc1cc(Cl)ccc1Cl)[N+](=O)[O-] ZINC000005812076 IE Annotated Mild Cc1ccccc1N1C(=O)[C@H]2C=C[C@@H](n3nc(O)n(Cc4ccccc4)c3=O)C[C@@H]2C1=O ZINC000005842499 IE Annotated Anodyne Cc1ccccc1N1C(=O)[C@H]2C=C[C@H](n3nc(O)n(Cc4ccccc4)c3=O)C[C@@H]2C1=O ZINC000005842513 IE Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3C=C[C@@H](n4nc(O)n(Cc5ccccc5)c4=O)C[C@@H]3C2=O)cc1 ZINC000005842524 IE Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3C=C[C@H](n4nc(O)n(Cc5ccccc5)c4=O)C[C@@H]3C2=O)cc1 ZINC000005842541 IE Annotated Anodyne NC(=O)c1ccc(S(=O)(=NS(=O)(=O)c2ccccc2)c2ccc(C(N)=O)cc2)cc1 ZINC000005846650 IE Annotated Anodyne O=C1N[C@@H]2c3c(I)sc(I)c3[C@H](O)[C@H]2O1 ZINC000005847574 IE Annotated Anodyne O=C1N[C@@H]2c3c(I)sc(I)c3[C@@H](O)[C@H]2O1 ZINC000005847579 IE Annotated Anodyne O=C1N[C@@H]2c3c(I)sc(I)c3[C@H](O)[C@@H]2O1 ZINC000005847588 IE Annotated Anodyne O=C1N[C@@H]2c3c(I)sc(I)c3[C@@H](O)[C@@H]2O1 ZINC000005847593 IE Annotated Anodyne CCOC(OCC)N1C(=O)[C@@]2(C(OCC)OCC)C[C@@H]3[C@@H](OC(=O)N3N)c3cccc1c32 ZINC000005852937 IE Annotated Anodyne O=C(O)c1cc(S(=O)(=O)N/N=C\c2c3ccccc3[n+]([O-])c3ccccc23)ccc1O ZINC000005884129 IE Annotated Mild CC/C(CC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])=N/NC(=O)C[n+]1ccccc1 ZINC000005889360 IE Annotated Reactive Cc1ccc(C)c(NC(=O)CC/C(=N\NC(=O)C(N)=O)[C@@H](C)C(=O)c2ccc(O)cc2)c1 ZINC000005890976 IE Annotated Reactive Cc1ccc(C)c(NC(=O)CC/C(=N\NC(=O)C(N)=O)[C@H](C)C(=O)c2ccc(O)cc2)c1 ZINC000005890980 IE Annotated Reactive OC[C@@H](O)[C@@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000005892594 IE Annotated Anodyne OC[C@@H](O)[C@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000005892601 IE Annotated Anodyne C[n+]1c2ccccc2c(C(=O)Nc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21 ZINC000005923225 IE Annotated Bother CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)(C)O[C@@H]1C1SCCCS1 ZINC000005925132 IE Annotated Anodyne CC[C@@H]1CCCNC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](N)[C@H]2O)CC[C@H](C)CCC1 ZINC000005932975 IE Annotated Anodyne in-vitro CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 ZINC000055041992 IE Annotated Anodyne CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 ZINC000055041993 IE Annotated Anodyne CCN1CC[C@H](n2cc(S(=O)(=O)C3=[N+]4C=CS[C@@H]4N[C-]3Cl)c3cccnc32)C1 ZINC000055862078 IE Annotated Anodyne CCN1CC[C@@H](n2cc(S(=O)(=O)C3=[N+]4C=CS[C@@H]4N[C-]3Cl)c3cccnc32)C1 ZINC000055862079 IE Annotated Anodyne C/C(=N/NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(S(=O)(=O)NCC(=O)O)cc1 ZINC000058341078 IE Annotated Reactive C/C(=N/NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(S(=O)(=O)NCC(=O)O)cc1 ZINC000058341079 IE Annotated Reactive NC(=S)N/N=C/c1nc2ccc(I)cc2c(=O)n1-c1ccccc1 ZINC000058487811 IE Annotated Mild CCCN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2[C@@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 ZINC000058498279 IE Annotated Anodyne O=C(Cc1ccccc1C(F)(F)F)N1CCN([C]2N=CN=c3sc4c(c32)C=CC=4)CC1 ZINC000584904648 IE Annotated Anodyne COC(=O)N[C@H](C(=O)NCCC[C@@H]1CNCCO1)C(c1ccccc1)c1ccccc1 ZINC000584904731 IE Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(C/N=C/c2cc(O)cc(-c3ccccn3)n2)c1O ZINC000584904813 IE Annotated Mild O=C(Cn1nnnc1COc1ccccc1Cl)NNC(=O)Nc1ccc(Cl)cc1 ZINC000584905066 IE Annotated Reactive CS(=O)(=O)N1CCO[C@H](c2csc(-c3ccccc3NC(=O)c3ncc[nH]3)n2)C1 ZINC000584905091 IE Annotated Anodyne CCN(C(=O)c1ccccc1OC)c1cc2c(cc1N1CCNC[C@H]1C)n(C)c(=O)n2C ZINC000584905514 IE Annotated Anodyne CNC(=O)CN(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCN(c2ccccn2)CC1 ZINC000584905575 IE Annotated Anodyne O=C(O)C[C@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNCC2)c1ccc2c(c1)OCO2 ZINC000058540786 IE Annotated Anodyne Cc1c(N2C[C@@H](F)[C@@H]([C@@H]3C[C@H]3N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000058542725 IE Annotated Anodyne CC(C)CN(NC(=O)c1ccc(-n2cncn2)cc1)c1nc(C#N)ncc1Br ZINC000058569021 IE Annotated Reactive CC(=O)N1CCC(N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)CC1 ZINC000058569301 IE Annotated Reactive CC(=O)N1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(C)c(Cl)c2)c(O)c(=O)n1C ZINC000058581917 IE Annotated Anodyne COc1cc(/C=c2\[nH]c3n(c2=O)[C@H](c2ccc(F)cc2)CCN=3)ccc1-n1cnc(C)c1 ZINC000058582761 IE Annotated Anodyne Cc1ccc2ccc(NC(=O)CCNCCC(=O)Nc3ccc4ccc(=O)[nH]c4n3)nc2n1 ZINC000058584084 IE Annotated Anodyne Cc1cc(Nc2nn(C3CCOCC3)c(=O)c3cc(CN4CCN(C)CC4)ccc23)[nH]n1 ZINC000058660750 IE Annotated Anodyne COc1cc(C)cc2c1C(=O)[C@@H]1O[C@]1(c1c(C)cc3c(c1OC)C(=O)[C@@H]1O[C@@H]1C3=O)C2=O ZINC000058692891 IE Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CC3OCCO3)nc1-2 ZINC000586908813 IE Annotated Anodyne O=S(=O)(c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1)N1CCOCC1 ZINC000586913449 IE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586919716 IE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586920216 IE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(I)cnc3[nH]2)cc1 ZINC000586920264 IE Annotated Bother CC1=C(c2ccc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3c2)NNC(=O)C1 ZINC000586920316 IE Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2c1 ZINC000586921690 IE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586921876 IE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586922473 IE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586922489 IE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(C(=O)OC)ccnc4[nH]3)c2)o1 ZINC000586923498 IE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)o1 ZINC000586923558 IE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C(=O)OC)ncc4[nH]3)c2)o1 ZINC000586923565 IE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)o1 ZINC000586923705 IE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C(=O)OC)nc4[nH]3)c2)o1 ZINC000586923740 IE Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccccc1 ZINC000586923914 IE Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccccc1 ZINC000586923915 IE Annotated Anodyne COc1cc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(S(=O)(=O)Cl)c1OC ZINC000586924605 IE Annotated Unstable COc1cc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924824 IE Annotated Unstable COC(=O)c1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cn1 ZINC000586924963 IE Annotated Unstable COc1cc(Cc2nc3c(S)nc(S)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925511 IE Annotated Unstable COc1cc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925597 IE Annotated Unstable COC(=O)c1ccnc2[nH]c(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)nc12 ZINC000586925799 IE Annotated Unstable COC(=O)c1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2n1 ZINC000586925960 IE Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586926840 IE Annotated Unstable Nc1nc(O)c2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2n1 ZINC000586926943 IE Annotated Unstable CN(C)S(=O)(=O)c1cccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 ZINC000586926949 IE Annotated Anodyne CC1=C(c2ccc3nc(CN(C)S(=O)(=O)c4ccc(C#N)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586928464 IE Annotated Mild CN(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928547 IE Annotated Bother CN(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928625 IE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586928734 IE Annotated Anodyne CN(Cc1nc2ccc(I)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929160 IE Annotated Anodyne CN(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929242 IE Annotated Bother CN(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929573 IE Annotated Mild CN(Cc1nc2cccc(I)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929654 IE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586929802 IE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(I)cnc2[nH]1 ZINC000586930094 IE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586930095 IE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586930579 IE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000586930938 IE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 ZINC000586931074 IE Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586931353 IE Annotated Anodyne CC1=C(c2ccc3nc(COc4ccc(S(=O)(=O)N(C)C)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586931891 IE Annotated Anodyne CN1CCN(c2ccc3nc(COc4ccc(S(=O)(=O)N(C)C)cc4)[nH]c3c2)CC1 ZINC000586932224 IE Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586932274 IE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2c1 ZINC000586933182 IE Annotated Anodyne CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3ncc[nH]c-3n2)cc1 ZINC000586933291 IE Annotated Anodyne Cc1cncc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586934404 IE Annotated Anodyne Cc1cncc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586934405 IE Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccnc2[nH]1 ZINC000586934440 IE Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccnc2[nH]1 ZINC000586934441 IE Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C(C)C)cc1 ZINC000586935105 IE Annotated Bother CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C(C)C)cc1 ZINC000586935119 IE Annotated Bother CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586935556 IE Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586935931 IE Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586936194 IE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586936359 IE Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586936361 IE Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586936371 IE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586936372 IE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(I)cc3[nH]2)c1 ZINC000586936606 IE Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586936736 IE Annotated Bother NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586936774 IE Annotated Anodyne Cc1cnc2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586937092 IE Annotated Anodyne Cc1cnc2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586937094 IE Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586937168 IE Annotated Anodyne Cc1c(Br)cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c1C ZINC000586937302 IE Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(O)c2[nH]1 ZINC000586937641 IE Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(O)c2[nH]1 ZINC000586937643 IE Annotated Anodyne Cc1ccnc2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586937645 IE Annotated Anodyne Cc1ccnc2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586937647 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H](C)O)cc1 ZINC000586937736 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H](C)O)cc1 ZINC000586937741 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H](C)O)cc1 ZINC000586937742 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H](C)O)cc1 ZINC000586937744 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H](C)O)cc1 ZINC000586937825 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H](C)O)cc1 ZINC000586937827 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H](C)O)cc1 ZINC000586937829 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H](C)O)cc1 ZINC000586937830 IE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586937924 IE Annotated Clean C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586937925 IE Annotated Clean C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586938040 IE Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586938045 IE Annotated Bother CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000586938088 IE Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000586938098 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H](C)O)cc1 ZINC000586938289 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@H](C)O)cc1 ZINC000586938292 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H](C)O)cc1 ZINC000586938294 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@H](C)O)cc1 ZINC000586938296 IE Annotated Anodyne Cc1nccc2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586938666 IE Annotated Anodyne Cc1nccc2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586938667 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586938688 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586938690 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586938691 IE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586938692 IE Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccnc4[nH]3)cccc12 ZINC000586938807 IE Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccnc4[nH]3)cccc12 ZINC000586938810 IE Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cnccc4[nH]3)cccc12 ZINC000586938888 IE Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cnccc4[nH]3)cccc12 ZINC000586938889 IE Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnccc2[nH]1 ZINC000586939067 IE Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnccc2[nH]1 ZINC000586939070 IE Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586939584 IE Annotated Mild CC(C)(C)c1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586940152 IE Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586940235 IE Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586940236 IE Annotated Bother N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586940355 IE Annotated Mild CC(C)(C)c1cccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586940442 IE Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCCO4)cc1[N+](=O)[O-] ZINC000586940628 IE Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586940631 IE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586940633 IE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940654 IE Annotated Bother COC(=O)c1cccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12 ZINC000586940725 IE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940832 IE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940890 IE Annotated Mild Cc1c(Br)cnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586940974 IE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586940990 IE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586940992 IE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1[N+](=O)[O-] ZINC000586941073 IE Annotated Bother O=S(=O)(NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941220 IE Annotated Anodyne Cc1nc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1Br ZINC000586941296 IE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586941354 IE Annotated Anodyne O=S(=O)(NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc2c(c1)OCCO2 ZINC000586941361 IE Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000586941400 IE Annotated Bother O=S(=O)(NCc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)s1 ZINC000586941611 IE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941687 IE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941695 IE Annotated Bother O=S(=O)(NCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941845 IE Annotated Anodyne O=S(=O)(NCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941868 IE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(S)nc(S)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586941873 IE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1[N+](=O)[O-] ZINC000586942017 IE Annotated Bother N#Cc1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586942282 IE Annotated Mild CCS(=O)(=O)NCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586942354 IE Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586942495 IE Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc2c(c1)OCCO2 ZINC000586942611 IE Annotated Anodyne O=S(=O)(NCCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942943 IE Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586942949 IE Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586943093 IE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586943141 IE Annotated Anodyne O=S(=O)(NCCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943187 IE Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2n1 ZINC000586943247 IE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 ZINC000586943261 IE Annotated Anodyne O=S(=O)(NCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)s1 ZINC000586943269 IE Annotated Anodyne O=C1COc2cc3[nH]c(CNS(=O)(=O)c4ccc(Br)s4)nc3cc2N1 ZINC000586943284 IE Annotated Anodyne COC(=O)c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cn1 ZINC000586943306 IE Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc12 ZINC000586943633 IE Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)cc1 ZINC000586944163 IE Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000586944460 IE Annotated Anodyne N#Cc1nc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc-2[nH]c1C#N ZINC000586944797 IE Annotated Mild COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc12 ZINC000586944979 IE Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)nc12 ZINC000586944980 IE Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2n1 ZINC000586945003 IE Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2n1 ZINC000586945004 IE Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586945462 IE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000586945745 IE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586945788 IE Annotated Anodyne NNC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586945799 IE Annotated Reactive CNS(=O)(=O)c1ccc(CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586945849 IE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 ZINC000586945857 IE Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1OC ZINC000586945895 IE Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1OC ZINC000586945897 IE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 ZINC000586945951 IE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946001 IE Annotated Anodyne N#Cc1nc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2nc1C#N ZINC000586946189 IE Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586946244 IE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586946245 IE Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cn1 ZINC000586946411 IE Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cn1 ZINC000586946412 IE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586946483 IE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586946486 IE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)n(C)c1 ZINC000586946746 IE Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586946756 IE Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586946757 IE Annotated Anodyne O=C1COc2cc3nc(-c4ccc(S(=O)(=O)NC[C@H]5CCCO5)cc4)[nH]c3cc2N1 ZINC000586947273 IE Annotated Anodyne O=C1COc2cc3nc(-c4ccc(S(=O)(=O)NC[C@@H]5CCCO5)cc4)[nH]c3cc2N1 ZINC000586947276 IE Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586947351 IE Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586947353 IE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(I)cnc3[nH]2)cc1 ZINC000586947475 IE Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc(S(=O)(=O)NC)cn3C)[nH]c2c1 ZINC000586947594 IE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)ncc(Br)c3[nH]2)n(C)c1 ZINC000586947618 IE Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586948132 IE Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586948563 IE Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586949531 IE Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586949654 IE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586949720 IE Annotated Clean O=S(=O)(Nc1ccccc1-c1nc2c(O)ncnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949887 IE Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cnnc(O)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950087 IE Annotated Anodyne O=S(=O)(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950974 IE Annotated Anodyne NS(=O)(=O)c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950979 IE Annotated Anodyne NS(=O)(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586951217 IE Annotated Anodyne NNC(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586951311 IE Annotated Reactive Cc1nc(NS(C)(=O)=O)sc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586951685 IE Annotated Anodyne N=c1[nH]c2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc-2c(Cl)[nH]1 ZINC000586951705 IE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(I)cnc2[nH]1 ZINC000586951738 IE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(I)cnc3[nH]2)CC1 ZINC000586951968 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(N)ccnc3[nH]2)cc1 ZINC000586952085 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(N)ncc3[nH]2)cc1 ZINC000586952100 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cncnc3[nH]2)cc1 ZINC000586952394 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ncc[nH]c-3n2)cc1 ZINC000586952991 IE Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586953673 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccnc(N)c3[nH]2)cc1 ZINC000586953805 IE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586954000 IE Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586954452 IE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)NC)CC3)nc2c1 ZINC000586954650 IE Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586954856 IE Annotated Anodyne CCc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1 ZINC000586954980 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CC2)cc1 ZINC000586955117 IE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2N)C1 ZINC000586955276 IE Annotated Anodyne Cc1cc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2cc1F ZINC000586955375 IE Annotated Anodyne Cc1cc(C)c2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc2c1 ZINC000586955400 IE Annotated Anodyne Cc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1C ZINC000586955665 IE Annotated Anodyne Cc1ccc(C)c2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc12 ZINC000586955670 IE Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccc(F)c(F)c4[nH]3)CC2)CC1 ZINC000586955712 IE Annotated Anodyne CC(=O)c1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1 ZINC000586955790 IE Annotated Anodyne Cc1c(F)ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586955812 IE Annotated Anodyne Cc1cc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2cc1C ZINC000586955837 IE Annotated Anodyne COc1cc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2cc1C ZINC000586955964 IE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2N)C1 ZINC000586956032 IE Annotated Anodyne Cc1cc(F)c2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc2c1 ZINC000586956077 IE Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(F)c(F)cc4[nH]3)CC2)CC1 ZINC000586956181 IE Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586956272 IE Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)nc2c1 ZINC000586956777 IE Annotated Anodyne COc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956797 IE Annotated Bother COc1ccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956954 IE Annotated Bother COc1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956965 IE Annotated Anodyne COc1ccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957175 IE Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957204 IE Annotated Mild COc1cc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2cc1OC ZINC000586957205 IE Annotated Anodyne COc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957233 IE Annotated Bother COc1ccc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957318 IE Annotated Anodyne COc1cc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2cc1F ZINC000586957351 IE Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586957888 IE Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000586958260 IE Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586958312 IE Annotated Mild Cc1cnc2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc2c1 ZINC000586958569 IE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586958588 IE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586958590 IE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586958675 IE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586958682 IE Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586958839 IE Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586959026 IE Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586959258 IE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586959261 IE Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586959684 IE Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586960187 IE Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586960506 IE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586960507 IE Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(F)cnc4[nH]3)c2c1)N1CCOCC1 ZINC000586960752 IE Annotated Anodyne N#Cc1cccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586960802 IE Annotated Mild Cc1nccc2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc12 ZINC000586961739 IE Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(O)nc(N)nc3[nH]2)ccc1Cl ZINC000586964159 IE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586965676 IE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000586965761 IE Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(N)nc3[nH]2)C[C@@H](C)O1 ZINC000586968729 IE Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(N)nc3[nH]2)C[C@@H](C)O1 ZINC000586968734 IE Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(N)nc3[nH]2)C[C@H](C)O1 ZINC000586968736 IE Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586970477 IE Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586970478 IE Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586971572 IE Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586971579 IE Annotated Reactive COc1cc(Br)c([C@H](N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1OC ZINC000586974125 IE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1OC ZINC000586974127 IE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC ZINC000586976063 IE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC ZINC000586976065 IE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1OC ZINC000586976697 IE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1OC ZINC000586976699 IE Annotated Anodyne N=c1[nH]cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc-2[nH]1 ZINC000586977446 IE Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586978087 IE Annotated Anodyne Nc1ncnc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 ZINC000586978570 IE Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586980069 IE Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586980492 IE Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586983814 IE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(Br)cc1 ZINC000586984491 IE Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(Br)cc1 ZINC000586984492 IE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985127 IE Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985129 IE Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586985249 IE Annotated Anodyne COC(=O)c1nnn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C(=O)OC ZINC000586988443 IE Annotated Anodyne NS(=O)(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000587000109 IE Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000587001369 IE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 ZINC000587002276 IE Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587003204 IE Annotated Anodyne COC(=O)c1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cn1 ZINC000587003367 IE Annotated Anodyne COC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2n1 ZINC000587003795 IE Annotated Anodyne O=C(c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587017786 IE Annotated Anodyne O=C(c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587017789 IE Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 ZINC000587019198 IE Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 ZINC000587020163 IE Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)s2)cn1 ZINC000587022084 IE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587023495 IE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587024257 IE Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1)N1CCOCC1 ZINC000587024464 IE Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024473 IE Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(N)ncnc4[nH]3)ccc2s1 ZINC000587032783 IE Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c[nH]c(=N)[nH]c-4n3)ccc2s1 ZINC000587032839 IE Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(O)nc(N)nc4[nH]3)ccc2s1 ZINC000587034429 IE Annotated Anodyne O=C(c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587034449 IE Annotated Anodyne O=C(c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587034450 IE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000587039002 IE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000587039004 IE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587040686 IE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587040687 IE Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587042924 IE Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587042925 IE Annotated Anodyne N[C@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1Cl ZINC000587057707 IE Annotated Anodyne N[C@@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1Cl ZINC000587057715 IE Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587059014 IE Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587069319 IE Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587069320 IE Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1)N1CCOCC1 ZINC000587076390 IE Annotated Anodyne Cc1onc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080254 IE Annotated Bother O=C(c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587084120 IE Annotated Anodyne NS(=O)(=O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587088931 IE Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(O)nc(N)nc3[nH]2)CC1 ZINC000587092011 IE Annotated Anodyne O=C(c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587093258 IE Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117210 IE Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587117792 IE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587118553 IE Annotated Bother O=S(=O)(c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1)N1CCOCC1 ZINC000587118895 IE Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119559 IE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587120788 IE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587127723 IE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587127762 IE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587128513 IE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587129704 IE Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(O)ncnc5[nH]4)nc3n2)cn1 ZINC000587130345 IE Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cnnc(O)c5[nH]4)nc3n2)cn1 ZINC000587131017 IE Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC(F)(F)C1 ZINC000587131539 IE Annotated Anodyne CN(C)CCOc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587133853 IE Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1OC ZINC000587134047 IE Annotated Anodyne COC(=O)c1cc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2cc1OC ZINC000587134060 IE Annotated Anodyne O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1[N+](=O)[O-] ZINC000587135529 IE Annotated Bother O=S(=O)(NCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587136197 IE Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1F ZINC000587149877 IE Annotated Bother O=C(c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587156910 IE Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587159517 IE Annotated Bother O=C(CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)Nc1cccc(F)c1 ZINC000587161752 IE Annotated Anodyne O=C(CCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)Nc1cccc(F)c1 ZINC000587161811 IE Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587164408 IE Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587164409 IE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587164735 IE Annotated Anodyne O=C(c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587165339 IE Annotated Anodyne O=C(/C=C/c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587166753 IE Annotated Anodyne O=C(/C=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587166754 IE Annotated Anodyne CC1=C(c2ccc3nc(CN(C)S(=O)(=O)c4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587171360 IE Annotated Anodyne N#Cc1nc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2nc1C#N ZINC000587171461 IE Annotated Mild N#Cc1nc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2nc1C#N ZINC000587171462 IE Annotated Mild N=c1[nH]cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc-2[nH]1 ZINC000587172031 IE Annotated Anodyne N=c1[nH]cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc-2[nH]1 ZINC000587172032 IE Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1)N1CCOCC1 ZINC000587172127 IE Annotated Anodyne O=C(c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587177857 IE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587178628 IE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587178788 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncc(Br)cc2[nH]1 ZINC000587179470 IE Annotated Anodyne Cn1nc(-c2nc3cc(Br)ncc3[nH]2)c(I)c1C(=O)O ZINC000587179552 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(C(F)(F)F)ncc2[nH]1 ZINC000587179558 IE Annotated Anodyne Cn1nc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(I)c1C(=O)O ZINC000587179570 IE Annotated Bother Cn1nc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(I)c1C(=O)O ZINC000587179600 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 ZINC000587179610 IE Annotated Anodyne Cn1nc(-c2nc3cncc(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587179770 IE Annotated Anodyne COc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(I)c1 ZINC000587179815 IE Annotated Anodyne Cc1cc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2cc1[N+](=O)[O-] ZINC000587179818 IE Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2nc(Br)ccc2[nH]1 ZINC000587179892 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 ZINC000587179898 IE Annotated Bother Cn1nc(-c2nc3cc(Br)cnc3[nH]2)c(I)c1C(=O)O ZINC000587179916 IE Annotated Anodyne Cn1nc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(I)c1C(=O)O ZINC000587179922 IE Annotated Mild Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)c(C(=O)O)cc2[nH]1 ZINC000587180105 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nccc(Br)c2[nH]1 ZINC000587180112 IE Annotated Anodyne COc1cc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2cc1OC ZINC000587180139 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cnc(Br)cc2[nH]1 ZINC000587180148 IE Annotated Anodyne CCOC(=O)c1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 ZINC000587180232 IE Annotated Anodyne COc1cc(OC)c2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c1 ZINC000587180256 IE Annotated Anodyne Cn1nc(-c2nc3ccnc(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587180354 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(C#N)nc(Cl)cc2[nH]1 ZINC000587180371 IE Annotated Mild Cn1nc(-c2nc3ccc(Br)nc3[nH]2)c(I)c1C(=O)O ZINC000587180392 IE Annotated Anodyne COc1cc(OC)c2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c1 ZINC000587180406 IE Annotated Anodyne Cn1nc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(I)c1C(=O)O ZINC000587180471 IE Annotated Anodyne COc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1OC ZINC000587180482 IE Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(I)c1C(=O)O ZINC000587180679 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)nccc2[nH]1 ZINC000587180709 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)cncc2[nH]1 ZINC000587180738 IE Annotated Anodyne Cn1nc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(I)c1C(=O)O ZINC000587180744 IE Annotated Anodyne Cn1nc(-c2nc3c(Br)ccnc3[nH]2)c(I)c1C(=O)O ZINC000587180764 IE Annotated Anodyne COC(=O)c1cccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587181017 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587181048 IE Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(I)c1C(=O)O ZINC000587181161 IE Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(I)c1C(=O)O ZINC000587181243 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3 ZINC000587181452 IE Annotated Anodyne Cc1cc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2cc1[N+](=O)[O-] ZINC000587181578 IE Annotated Bother COC(=O)c1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 ZINC000587181585 IE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587181643 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cncc(Br)c3[nH]2)n1 ZINC000587181787 IE Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587181796 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(Br)ccnc3[nH]2)n1 ZINC000587181931 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Br)ncc3[nH]2)n1 ZINC000587182117 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 ZINC000587182452 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1 ZINC000587182714 IE Annotated Anodyne CCOC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587182922 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(Br)nc3[nH]2)n1 ZINC000587183100 IE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587183157 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccnc(Br)c3[nH]2)n1 ZINC000587183194 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Br)cnc3[nH]2)n1 ZINC000587183417 IE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 ZINC000587183437 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nc(Br)ccc3[nH]2)n1 ZINC000587184285 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Br)nccc3[nH]2)n1 ZINC000587184513 IE Annotated Anodyne COc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1OC ZINC000587184531 IE Annotated Anodyne CC[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184721 IE Annotated Anodyne CC[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184726 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nccc(Br)c3[nH]2)n1 ZINC000587184825 IE Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(Br)nc3[nH]2)cc1I ZINC000587184829 IE Annotated Anodyne O=C(O)c1nn(Cc2nc3c(Br)ccnc3[nH]2)cc1I ZINC000587184837 IE Annotated Anodyne O=C(O)c1nn(Cc2nc3ccnc(Br)c3[nH]2)cc1I ZINC000587184867 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n1 ZINC000587184875 IE Annotated Bother O=C(O)c1nn(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1I ZINC000587184879 IE Annotated Bother N#Cc1nc(Cl)cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587184925 IE Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185090 IE Annotated Anodyne Cc1cc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2cc1[N+](=O)[O-] ZINC000587185255 IE Annotated Bother O=C(O)c1nn(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1I ZINC000587185256 IE Annotated Anodyne CC[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185397 IE Annotated Anodyne CC[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185398 IE Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587185470 IE Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587185473 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncc(Br)cc3[nH]2)n1 ZINC000587185663 IE Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587185717 IE Annotated Mild COc1cc(OC)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 ZINC000587185789 IE Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Br)ncc3[nH]2)cc1I ZINC000587185802 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cnc(Br)cc3[nH]2)n1 ZINC000587185815 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 ZINC000587185873 IE Annotated Anodyne O=C(O)c1nn(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1I ZINC000587185906 IE Annotated Anodyne O=C(O)c1nn(Cc2nc3cncc(Br)c3[nH]2)cc1I ZINC000587185963 IE Annotated Anodyne COc1cc(OC)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c1 ZINC000587186126 IE Annotated Anodyne CCOC(=O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587186157 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)n1 ZINC000587186166 IE Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Br)cnc3[nH]2)cc1I ZINC000587186214 IE Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587186247 IE Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587186248 IE Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587186302 IE Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587186303 IE Annotated Anodyne COc1cc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2cc1OC ZINC000587186448 IE Annotated Anodyne Cc1cc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2cc1[N+](=O)[O-] ZINC000587186466 IE Annotated Bother O=C(O)Cn1cc(I)c(-c2nc3c(Br)cncc3[nH]2)n1 ZINC000587186511 IE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 ZINC000587186582 IE Annotated Anodyne CC1=C(c2ccc3nc(-c4nccnc4I)[nH]c3c2)NNC(=O)C1 ZINC000587186871 IE Annotated Anodyne Ic1cnc2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cn12 ZINC000587187358 IE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587188725 IE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 ZINC000587193220 IE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587194022 IE Annotated Anodyne CN(C)C(=O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587196963 IE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587202659 IE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587202660 IE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(C)cc1 ZINC000587216806 IE Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(C)cc1 ZINC000587216807 IE Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccc(C)cc1 ZINC000587217364 IE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccc(C)cc1 ZINC000587217365 IE Annotated Anodyne COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587217679 IE Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587217684 IE Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587220241 IE Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587220243 IE Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587220245 IE Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587220248 IE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587227436 IE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000587228140 IE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000587228694 IE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587230082 IE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 ZINC000587236673 IE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 ZINC000587236905 IE Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1C ZINC000587239718 IE Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@]3(N)CCOC3)nc12 ZINC000587248031 IE Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@]3(N)CCOC3)nc12 ZINC000587248032 IE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2c1 ZINC000587255420 IE Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)C3COC3)nc1-2 ZINC000587255717 IE Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587259790 IE Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587260489 IE Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260754 IE Annotated Bother COc1cc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261787 IE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587262224 IE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587262225 IE Annotated Bother Cc1cc(C#Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262417 IE Annotated Mild NC(=O)c1cc(N2CCC(c3nc4nc(Br)c[nH]c-4n3)CC2)ccc1[N+](=O)[O-] ZINC000587263453 IE Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CC2)ccc1[N+](=O)[O-] ZINC000587263697 IE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587264015 IE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587264016 IE Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587265007 IE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587265069 IE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587265072 IE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587265073 IE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587265074 IE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(I)cnc2[nH]1 ZINC000587265172 IE Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587265633 IE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587265708 IE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587265720 IE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587265723 IE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587265725 IE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1 ZINC000587265746 IE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1 ZINC000587265749 IE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1 ZINC000587265751 IE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1 ZINC000587265754 IE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587266271 IE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587266276 IE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587266279 IE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587266281 IE Annotated Bother NS(=O)(=O)c1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587270070 IE Annotated Bother CN(C)CCOc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587270085 IE Annotated Bother CCOC(=O)Cc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587270805 IE Annotated Bother COC(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1OC ZINC000587271000 IE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587271196 IE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587271451 IE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587272156 IE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587273285 IE Annotated Bother N#Cc1cc(Br)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587273854 IE Annotated Mild O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587273937 IE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587274091 IE Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCOCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587337029 IE Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCOCC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587337043 IE Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCOCC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587337047 IE Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCOCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587337055 IE Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCOCC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587345600 IE Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCOCC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587345602 IE Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCOCC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587345604 IE Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCOCC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587345606 IE Annotated Mild COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)N2 ZINC000587353650 IE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)N2 ZINC000587353653 IE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)N2 ZINC000587353656 IE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)N2 ZINC000587353660 IE Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1cc2c(O)nc(O)nc2nc1CBr ZINC000587367118 IE Annotated Reactive CC(=O)N1CCN(Cc2cc(Cl)cc(-c3ccc4c(O)nc(O)nc4n3)c2O)CC1 ZINC000587368554 IE Annotated Clean Cn1cnc(S(=O)(=O)N2CC3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587370525 IE Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587370533 IE Annotated Anodyne CCN1C(=O)c2cc(OC)c(OC)c(OC)c2[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587392046 IE Annotated Anodyne CCN1C(=O)c2cc(OC)c(OC)c(OC)c2[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587392050 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(C)CC3)nc3c(C)cccn3c1=O)O2 ZINC000587395358 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(C)CC3)nc3c(C)cccn3c1=O)O2 ZINC000587395361 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(C)CC3)nc3ccc(C)cn3c1=O)O2 ZINC000587395568 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(C)CC3)nc3ccc(C)cn3c1=O)O2 ZINC000587395569 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395677 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395678 IE Annotated Anodyne C#CCN1C(=O)[C@@H](C(=O)OCC)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(C)nc21 ZINC000587398383 IE Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(C)nc21 ZINC000587398384 IE Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(C)nc21 ZINC000587398385 IE Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(C)nc21 ZINC000587398386 IE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H]1NCCC[C@H]1O)(Cn1cnc3ccccc3c1=O)O2 ZINC000587398950 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1NCCC[C@H]1O)(Cn1cnc3ccccc3c1=O)O2 ZINC000587398952 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H]1NCCC[C@@H]1O)(Cn1cnc3ccccc3c1=O)O2 ZINC000587398953 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1NCCC[C@@H]1O)(Cn1cnc3ccccc3c1=O)O2 ZINC000587398954 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399627 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399628 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCN1C(=O)[C@@H]3[C@@H](N=CN3C)N(C)C1=O)O2 ZINC000587400457 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCN1C(=O)[C@H]3[C@H](N=CN3C)N(C)C1=O)O2 ZINC000587400458 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCN1C(=O)[C@@H]3[C@H](N=CN3C)N(C)C1=O)O2 ZINC000587400459 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCN1C(=O)[C@H]3[C@@H](N=CN3C)N(C)C1=O)O2 ZINC000587400460 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)O2 ZINC000587407444 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)O2 ZINC000587407464 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c1)O2 ZINC000587407666 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c1)O2 ZINC000587407667 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C)CC3)cc1S(C)(=O)=O)O2 ZINC000587407705 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)cc1S(C)(=O)=O)O2 ZINC000587407706 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)O2 ZINC000587410325 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)O2 ZINC000587410326 IE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C(=N/NC(N)=S)c1ccccn1)(c1ccccn1)O2 ZINC000587411156 IE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(=N/NC(N)=S)c1ccccn1)(c1ccccn1)O2 ZINC000587411162 IE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(N)(=O)=O)cc1)O2 ZINC000587411303 IE Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(N)(=O)=O)cc1)O2 ZINC000587411304 IE Annotated Reactive CCOC(=O)[C@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412428 IE Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412429 IE Annotated Anodyne CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412430 IE Annotated Anodyne CCOC(=O)[C@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412431 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C)[C@@H](C2)C3=O ZINC000587423653 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C)[C@@H](C2)C3=O ZINC000587423659 IE Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587426764 IE Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587426768 IE Annotated Anodyne COc1cc2c3c(c1)OC1(c4c(N)ccc(N)c4C(=O)c4c(N)ccc(N)c41)[C@@H](C2)C3=O ZINC000587430804 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(CCC(=O)N4CCOCC4)c1C)[C@@H](C2)C3=O ZINC000587431290 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(CCC(=O)N4CCOCC4)c1C)[C@@H](C2)C3=O ZINC000587431296 IE Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587433541 IE Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587433543 IE Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436122 IE Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436123 IE Annotated Anodyne C#CCN1C(=O)[C@@H](C(=O)OCC)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(C)nc21 ZINC000587436488 IE Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(C)nc21 ZINC000587436498 IE Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(C)nc21 ZINC000587436501 IE Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(C)nc21 ZINC000587436503 IE Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(N4CCN(C)CC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587436674 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCN(C)CC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587436680 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCN(C)CC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587436869 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCN(C)CC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587436870 IE Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437581 IE Annotated Anodyne CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437584 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438372 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438379 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCOCC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587438899 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCOCC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O ZINC000587438900 IE Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441385 IE Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441393 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441811 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441822 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCOCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587443269 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCOCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587443274 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443771 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443774 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444935 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444936 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587447460 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587447464 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587447520 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587447521 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587447540 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587447541 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447562 IE Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447563 IE Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587447686 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587447687 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587448321 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587448323 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(=O)(=O)N4CCOCC4)c1)[C@@H](C2)C3=O ZINC000587448338 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(S(=O)(=O)N4CCOCC4)c1)[C@@H](C2)C3=O ZINC000587448339 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)cc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448376 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)cc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448377 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NCCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587448442 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587448453 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)cc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448691 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448693 IE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587449630 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587449631 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](/C(=N/NC(N)=S)c1ccccn1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587449795 IE Annotated Mild COc1cc2c3c(c1)O[C@@](/C(=N/NC(N)=S)c1ccccn1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587449796 IE Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587450785 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587450786 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccs1)([C@H](C)N1CCN(CCO)CC1)[C@@H](C2)C3=O ZINC000587450888 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)[C@@H](C2)C3=O ZINC000587450890 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)[C@@H](C2)C3=O ZINC000587450891 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccs1)([C@H](C)N1CCN(CCO)CC1)[C@@H](C2)C3=O ZINC000587450892 IE Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2cccs2)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450894 IE Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450896 IE Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2cccs2)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450897 IE Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450898 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(S(=O)(=O)NCCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587451425 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(=O)(=O)NCCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587451427 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587451794 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587451801 IE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587451803 IE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587451807 IE Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452589 IE Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452595 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2[C@@]2(O)N(CCC)C(=O)N[C@@]21O ZINC000587487691 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2[C@]2(O)N(CCC)C(=O)N[C@]12O ZINC000587487694 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2[C@@]2(O)N(CCC)C(=O)N[C@]21O ZINC000587487698 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2[C@]2(O)N(CCC)C(=O)N[C@@]12O ZINC000587487703 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)OC ZINC000587493034 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)OC ZINC000587493039 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)OC ZINC000587493041 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)OC ZINC000587493044 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)O ZINC000587495130 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)O ZINC000587495155 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)O ZINC000587495160 IE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)O ZINC000587495163 IE Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O)Oc2c1ccc1c2CCCC1 ZINC000587530071 IE Annotated Anodyne O=C1C[C@H]([C@H](O)[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O)Oc2c1ccc1c2CCCC1 ZINC000587530081 IE Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O)Oc2c1ccc1c2CCCC1 ZINC000587530083 IE Annotated Anodyne O=C1C[C@H]([C@H](O)[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O)Oc2c1ccc1c2CCCC1 ZINC000587530085 IE Annotated Anodyne O=C(CCl)OCC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587542312 IE Annotated Reactive O=C(CCl)OCC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587542318 IE Annotated Reactive O=C(CCl)OCC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587542320 IE Annotated Reactive O=C(CCl)OCC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587542321 IE Annotated Reactive O=C(CCl)OCC1=CC(=O)[C@@]2(CO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587542634 IE Annotated Reactive O=C(CCl)OCC1=CC(=O)[C@]2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587542636 IE Annotated Reactive O=C(CCl)OCC1=CC(=O)[C@]2(CO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587542638 IE Annotated Reactive O=C(CCl)OCC1=CC(=O)[C@@]2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587542640 IE Annotated Reactive CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3cc4c(O)nc(O)nc4nc3[C@@H]2C1 ZINC000587554639 IE Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3cc4c(O)nc(O)nc4nc3[C@H]2C1 ZINC000587554640 IE Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3cc4c(O)nc(O)nc4nc3[C@@H]2C1 ZINC000587554641 IE Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3cc4c(O)nc(O)nc4nc3[C@H]2C1 ZINC000587554642 IE Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)Cc2cc3c(O)nc(O)nc3nc2C)C(C)(C)C1 ZINC000587557962 IE Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2CN1C(=O)OC(C)(C)C ZINC000587558838 IE Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587558839 IE Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587558840 IE Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2CN1C(=O)OC(C)(C)C ZINC000587558841 IE Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1cc3c(O)nc(O)nc3nc1-4)[C@@H]1CCO[C@@H]1O2 ZINC000587562812 IE Annotated Anodyne COCC(=O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587563015 IE Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1cc3c(O)nc(O)nc3nc1-4)[C@@H]1C=CO[C@@H]1O2 ZINC000587563065 IE Annotated Anodyne O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587563069 IE Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COCC(=O)O)nc1-2 ZINC000587563891 IE Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569007 IE Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569008 IE Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569009 IE Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569010 IE Annotated Mild CCOC(=O)CCOCCCOCCc1nc2cc(I)cnc2[nH]1 ZINC000587569147 IE Annotated Anodyne Cn1c(=O)c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c2n(C)c1=O ZINC000587574797 IE Annotated Anodyne Cn1c(=O)c2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c2n(C)c1=O ZINC000587574805 IE Annotated Anodyne Cn1c(=O)c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c2n(C)c1=O ZINC000587574808 IE Annotated Anodyne Cn1c(=O)c2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c2n(C)c1=O ZINC000587574810 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580529 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580530 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580531 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580532 IE Annotated Anodyne Nc1c(O)cccc1[C@]1(C[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582283 IE Annotated Anodyne Nc1c(O)cccc1[C@]1(C[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582284 IE Annotated Anodyne Nc1c(O)cccc1[C@]1(C[C@@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582285 IE Annotated Anodyne Nc1c(O)cccc1[C@]1(C[C@@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582286 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583025 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583026 IE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583028 IE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583030 IE Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587593693 IE Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587593696 IE Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587593698 IE Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587593701 IE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(N2CCOCC2)cc1)C(O)O ZINC000587595099 IE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(N2CCOCC2)cc1)C(O)O ZINC000587595102 IE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(N2CCOCC2)cc1)C(O)O ZINC000587595103 IE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(N2CCOCC2)cc1)C(O)O ZINC000587595105 IE Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596412 IE Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596421 IE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C(=O)OC)CC1=O ZINC000587596423 IE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C(=O)OC)CC1=O ZINC000587596426 IE Annotated Anodyne Nc1ccccc1[C@@]1(CS(N)(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606263 IE Annotated Anodyne Nc1ccccc1[C@]1(CS(N)(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606269 IE Annotated Anodyne Nc1ccccc1[C@]1(CS(N)(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606271 IE Annotated Anodyne Nc1ccccc1[C@@]1(CS(N)(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606273 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587614099 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587614104 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587614106 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587614109 IE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3nc[nH]c3N)c(N)c2c1 ZINC000587620220 IE Annotated Bother COC(=O)c1nnn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1C(=O)OC ZINC000587623316 IE Annotated Anodyne O=C(c1ccn(Cn2cc(Br)cn2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650668 IE Annotated Anodyne COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651156 IE Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c(C)c1[N+](=O)[O-] ZINC000587653247 IE Annotated Bother O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653519 IE Annotated Anodyne O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654838 IE Annotated Anodyne O=C(CSc1nnc(O)nc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657990 IE Annotated Anodyne CS(=O)(=O)N1CCC[C@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658389 IE Annotated Anodyne CS(=O)(=O)N1CCC[C@@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658390 IE Annotated Anodyne NNC(=O)CCSCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658947 IE Annotated Reactive Cn1c(=O)c2c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ccnc2n(C)c1=O ZINC000587660991 IE Annotated Anodyne O=C(CSc1nnc(O)nc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661348 IE Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(N)=O)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665065 IE Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CS(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587668080 IE Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cnc(N)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669752 IE Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCC(=O)NC)c(=O)c3ccccc23)cc1OCC ZINC000587670258 IE Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCC(N)=O)c(=O)c3ccccc23)cc1OCC ZINC000587670625 IE Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCC(=O)NC)c(=O)c3ccccc23)c(O)c1 ZINC000587671226 IE Annotated Anodyne CCn1c(N)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587682420 IE Annotated Reactive CCn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587682421 IE Annotated Reactive CCn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587682422 IE Annotated Reactive CCn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O ZINC000587682423 IE Annotated Reactive CCn1c(N)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587686470 IE Annotated Reactive CCn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587686473 IE Annotated Reactive CCn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587686475 IE Annotated Reactive CCn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O ZINC000587686477 IE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](N)C(=O)O)(c2cccc(O)c2N)N1 ZINC000587750961 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](N)C(=O)O)(c2cccc(O)c2N)N1 ZINC000587750962 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](N)C(=O)O)(c2cccc(O)c2N)N1 ZINC000587750963 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](N)C(=O)O)(c2cccc(O)c2N)N1 ZINC000587750964 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](N)C(=O)O)(c2cccc(O)c2N)N1 ZINC000587751369 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](N)C(=O)O)(c2cccc(O)c2N)N1 ZINC000587751370 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](N)C(=O)O)(c2cccc(O)c2N)N1 ZINC000587751371 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](N)C(=O)O)(c2cccc(O)c2N)N1 ZINC000587751372 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 ZINC000587754933 IE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 ZINC000587754934 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 ZINC000587754935 IE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 ZINC000587754936 IE Annotated Anodyne CC(C)Cn1c(N)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O ZINC000587756355 IE Annotated Anodyne CC(C)Cn1c(N)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O ZINC000587756358 IE Annotated Anodyne CC(C)Cn1c(N)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O ZINC000587756360 IE Annotated Anodyne CC(C)Cn1c(N)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O ZINC000587756361 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 ZINC000587757563 IE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 ZINC000587757564 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 ZINC000587757565 IE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 ZINC000587757566 IE Annotated Anodyne COC1=CN(CC(=O)O)C(CO)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760003 IE Annotated Anodyne COC1=CN(CC(=O)O)C(CO)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760005 IE Annotated Anodyne COC1=CN(CC(=O)O)C(CO)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760007 IE Annotated Anodyne COC1=CN(CC(=O)O)C(CO)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760009 IE Annotated Anodyne CC(C)Cn1c(N)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O ZINC000587761811 IE Annotated Anodyne CC(C)Cn1c(N)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O ZINC000587761812 IE Annotated Anodyne CC(C)Cn1c(N)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O ZINC000587761813 IE Annotated Anodyne CC(C)Cn1c(N)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O ZINC000587761814 IE Annotated Anodyne COC1=CN(CC(=O)O)C(CO)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762640 IE Annotated Anodyne COC1=CN(CC(=O)O)C(CO)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762641 IE Annotated Anodyne COC1=CN(CC(=O)O)C(CO)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762642 IE Annotated Anodyne COC1=CN(CC(=O)O)C(CO)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762643 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCOCC3)OCC2=O)N1 ZINC000587769293 IE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCOCC3)OCC2=O)N1 ZINC000587769295 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCOCC3)OCC2=O)N1 ZINC000587769297 IE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCOCC3)OCC2=O)N1 ZINC000587769299 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCOCC3)=CC2=O)N1 ZINC000587775785 IE Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCOCC3)=CC2=O)N1 ZINC000587775786 IE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCOCC3)=CC2=O)N1 ZINC000587775812 IE Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCOCC3)=CC2=O)N1 ZINC000587775816 IE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCOCC3)OCC2=O)N1 ZINC000587777075 IE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCOCC3)OCC2=O)N1 ZINC000587777077 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCOCC3)OCC2=O)N1 ZINC000587777079 IE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCOCC3)OCC2=O)N1 ZINC000587777081 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCOCC3)=CC2=O)N1 ZINC000587777193 IE Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCOCC3)=CC2=O)N1 ZINC000587777194 IE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCOCC3)=CC2=O)N1 ZINC000587777195 IE Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCOCC3)=CC2=O)N1 ZINC000587777196 IE Annotated Mild COc1cc(/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc(O)c1O ZINC000587785246 IE Annotated Clean COc1cc(/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc(O)c1O ZINC000587785250 IE Annotated Clean COc1ccc(C=O)c(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)c1OC ZINC000587799239 IE Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587806534 IE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OC)CC1=O ZINC000587806544 IE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OC)CC1=O ZINC000587806546 IE Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587806548 IE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OC)CC1=O ZINC000587807015 IE Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807018 IE Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807021 IE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OC)CC1=O ZINC000587807025 IE Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587808238 IE Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587808240 IE Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587808242 IE Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587808244 IE Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808649 IE Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808651 IE Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808653 IE Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808655 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(N)(=O)=O)(c2ccccc2N)N1 ZINC000587838685 IE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(N)(=O)=O)(c2ccccc2N)N1 ZINC000587838686 IE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(N)(=O)=O)(c2ccccc2N)N1 ZINC000587838687 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(N)(=O)=O)(c2ccccc2N)N1 ZINC000587838688 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(N)(=O)=O)(c2ccccc2N)N1 ZINC000587840132 IE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(N)(=O)=O)(c2ccccc2N)N1 ZINC000587840133 IE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(N)(=O)=O)(c2ccccc2N)N1 ZINC000587840134 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(N)(=O)=O)(c2ccccc2N)N1 ZINC000587840135 IE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(N)(=O)=O)(c2ccccc2O)N1 ZINC000587840682 IE Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(N)(=O)=O)(c2ccccc2O)N1 ZINC000587840683 IE Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(N)(=O)=O)(c2ccccc2O)N1 ZINC000587840684 IE Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(N)(=O)=O)(c2ccccc2O)N1 ZINC000587840685 IE Annotated Clean CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842142 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842145 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842147 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842149 IE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(N)(=O)=O)(c2ccccc2O)N1 ZINC000587843500 IE Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(N)(=O)=O)(c2ccccc2O)N1 ZINC000587843502 IE Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(N)(=O)=O)(c2ccccc2O)N1 ZINC000587843505 IE Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(N)(=O)=O)(c2ccccc2O)N1 ZINC000587843507 IE Annotated Clean CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587844374 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587844375 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587844376 IE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587844377 IE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000587863494 IE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000587866079 IE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000587866080 IE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCS(=O)(=O)CC1 ZINC000587866685 IE Annotated Anodyne COc1nn(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] ZINC000587868164 IE Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Cl)cc(C(=O)NN)n1 ZINC000587869022 IE Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCCN1CCOCC1 ZINC000587869168 IE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(O)nc1O ZINC000587869305 IE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(c2ncccn2)CC1 ZINC000587869774 IE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000587869898 IE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000587870018 IE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1S(=O)(=O)N1CCN(C)CC1 ZINC000587872623 IE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000587872701 IE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000587873113 IE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC000587873432 IE Annotated Anodyne Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)n3nc4cc3oc3ccc(F)cc43)C2)cn1 ZINC000587875184 IE Annotated Anodyne Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)n3nc4cc3oc3ccc(F)cc43)C2)cn1 ZINC000587875196 IE Annotated Anodyne COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(N)=O ZINC000587877931 IE Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N1CC(=O)NCC1=O ZINC000587880738 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2cnnn2)c(C(=O)O)c1 ZINC000587881130 IE Annotated Mild COC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(N)=O ZINC000587881479 IE Annotated Mild CNc1nc(OC)c(C(=O)OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881729 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(NC(=O)CNCCO)c1 ZINC000587882344 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(Cn2ccc(C(=O)O)n2)c1 ZINC000587885048 IE Annotated Mild COC(=O)CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000587885545 IE Annotated Mild C=C1C=C(n2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)N2NC=NC2=N1 ZINC000587885856 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O ZINC000587886042 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CNCCO)cc1 ZINC000587886475 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000587887245 IE Annotated Mild O=C(O)CCNC(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888228 IE Annotated Mild COC(=O)[C@H]1Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2NC1=O ZINC000587888253 IE Annotated Mild COC(=O)[C@@H]1Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2NC1=O ZINC000587888254 IE Annotated Mild CCOC(=O)c1c[nH]c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnn2c1=O ZINC000587888511 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(C(=O)N2CCNCC2)c1 ZINC000587889197 IE Annotated Mild Nc1c(Br)nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[n+]1[O-] ZINC000587889769 IE Annotated Mild C=C1NC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1nonc1C ZINC000587890806 IE Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2cc(C(=O)NN)nc12 ZINC000587890993 IE Annotated Reactive C=C1NC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1nc(C)no1 ZINC000587891046 IE Annotated Mild C=C1NC(=O)C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=CN1Cc1nc(C)no1 ZINC000587891082 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc(C(=O)O)c(=O)n2c1 ZINC000587891210 IE Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)cc1S(N)(=O)=O ZINC000587893572 IE Annotated Mild NS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1OCC2 ZINC000587895665 IE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1S(=O)(=O)CCO ZINC000587895721 IE Annotated Mild NS(=O)(=O)c1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587895759 IE Annotated Mild NS(=O)(=O)c1cc(C(=O)O)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896477 IE Annotated Mild NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896505 IE Annotated Mild Nn1c(S)nnc1-c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896907 IE Annotated Mild CCNS(=O)(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896915 IE Annotated Mild Nn1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587897224 IE Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn2c1[C@H](O)n1ncc(Br)c1[C@H]2O ZINC000587911453 IE Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn2c1[C@@H](O)n1ncc(Br)c1[C@H]2O ZINC000587911454 IE Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn2c1[C@H](O)n1ncc(Br)c1[C@@H]2O ZINC000587911455 IE Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn2c1[C@@H](O)n1ncc(Br)c1[C@@H]2O ZINC000587911456 IE Annotated Mild CN(c1ccc(-c2csc(-c3cccnc3N3CCNC(=O)C3)n2)cc1)S(C)(=O)=O ZINC000587923988 IE Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3cccnc3N3CCNC(=O)C3)n2)cc1 ZINC000587924324 IE Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1OC ZINC000587927740 IE Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OC ZINC000587935906 IE Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2c(N)cccc2Br)c1OC ZINC000587936503 IE Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cccc(Br)c2N)c1OC ZINC000587936538 IE Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2c(N)cccc2Br)c1OC ZINC000587937089 IE Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cccc(Br)c2N)c1OC ZINC000587937302 IE Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937767 IE Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587938688 IE Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587938689 IE Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587938690 IE Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587938691 IE Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1NCc1ccccc1Br ZINC000587939415 IE Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(NCc2ccccc2Br)c1OC ZINC000587939417 IE Annotated Anodyne CCOc1cc(-n2c(OC)c(CC(=O)O)c(CC(=O)O)c2OC)c(Cl)cc1C(=O)O ZINC000587939561 IE Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940336 IE Annotated Mild CN(C)[C@@H](Cn1c(O)c(CC(=O)O)c(CC(=O)O)c1O)c1cccc(Br)c1 ZINC000587941073 IE Annotated Anodyne CN(C)[C@H](Cn1c(O)c(CC(=O)O)c(CC(=O)O)c1O)c1cccc(Br)c1 ZINC000587941101 IE Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1cc(Br)cnc1Br)C(=O)O ZINC000587941966 IE Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(NCc2ccccc2Br)c1OC ZINC000587942009 IE Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1OCC[C@H](N)C(=O)O ZINC000587943295 IE Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)c(CC(=O)O)c(CC(=O)O)c1O ZINC000587943498 IE Annotated Bother COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587945385 IE Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587945387 IE Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587945401 IE Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OC ZINC000587945451 IE Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)c(CC(=O)O)c(CC(=O)O)c2O)n1 ZINC000587945745 IE Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587946090 IE Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946951 IE Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OC ZINC000587947668 IE Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CC1 ZINC000587951275 IE Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CC1 ZINC000587951276 IE Annotated Anodyne 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](O)[C@@H](OC(C)=O)[C@@H]2C ZINC000059779278 IE Annotated Mild CN(CCc1ccccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000059932343 IE Annotated Anodyne CN(CCc1ccccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000059932344 IE Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2OC)ccc1O ZINC000006040763 IE Annotated Anodyne CCOc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1NCc1ccccc1 ZINC000006041283 IE Annotated Anodyne O=C1Nc2ccc(Br)cc2/C1=N/N1C(=O)C(=O)N(C2CCCCC2)C1=S ZINC000006041455 IE Annotated Mild CCCCC(C(=O)N/N=C/c1ccc([N+](=O)[O-])o1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000006041658 IE Annotated Reactive Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@H]3C4)cc2)n1 ZINC000006102086 IE Annotated Anodyne COCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O ZINC000006181294 IE Annotated Anodyne COCC/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O ZINC000006181315 IE Annotated Mild C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000061895851 IE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000061895852 IE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1 ZINC000061896076 IE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1 ZINC000061896077 IE Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(C)CCC(C)C ZINC000061896117 IE Annotated Anodyne O=C(c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1)N1CCOCC1 ZINC000061896616 IE Annotated Anodyne O=C(c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1)N1CCOCC1 ZINC000061896618 IE Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CCCCC2)cc1OC ZINC000061898600 IE Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CCCCC2)cc1OC ZINC000061898602 IE Annotated Anodyne CC(C)(C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000061902435 IE Annotated Mild CC(C)(C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000061902437 IE Annotated Mild CC(C)(C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000061903011 IE Annotated Mild CC(C)(C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000061903012 IE Annotated Mild C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000061903674 IE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000061903675 IE Annotated Anodyne Cn1c(NCc2cccnc2)nc2cc(-c3cccc(C(=O)NCCO)c3)sc2c1=O ZINC000061903691 IE Annotated Anodyne CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CC)CCN(C)C ZINC000061903890 IE Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2S(=O)(=O)c2cccs2)on1 ZINC000061904942 IE Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2COCCN2S(=O)(=O)c2cccs2)on1 ZINC000061904943 IE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000061905171 IE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000061905172 IE Annotated Anodyne CCc1nc2ccc(C(=O)NCCNC(C)=O)cn2c1N(CCC(C)C)CCN(C)C ZINC000061907434 IE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)CCN1C(=O)c1ccco1 ZINC000061907526 IE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)CCN1C(=O)c1ccco1 ZINC000061907527 IE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000061908381 IE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000061908382 IE Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1CCCN1CCCC1=O ZINC000061920975 IE Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CCCN1CCCC1=O ZINC000061920976 IE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(CCC(C)C)C1=O ZINC000061921204 IE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(Cc2ccco2)C1=O ZINC000061921205 IE Annotated Anodyne COc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(C)cc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921219 IE Annotated Anodyne COc1ccc([C@H]2N[C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921220 IE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2cccn2C)C1=O ZINC000061921225 IE Annotated Anodyne COc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C)cc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]43)C2=O)cc1 ZINC000061921239 IE Annotated Anodyne COc1ccc(CN2CCC[C@]3(N[C@H](c4ccccc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]43)C2=O)cc1 ZINC000061921259 IE Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061921572 IE Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000061921575 IE Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921904 IE Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921906 IE Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@H](CO)O1 ZINC000061922825 IE Annotated Clean CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCCc2ccccn2)C1 ZINC000061922961 IE Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCCc2ccccn2)C1 ZINC000061922964 IE Annotated Anodyne CCOC(=O)CNC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccccc1Br ZINC000061924016 IE Annotated Anodyne CC[C@H](C)[C@H]1CNC(=O)C(=O)N1CC1CCN(CCc2ccc(OC)c(OC)c2)CC1 ZINC000061924311 IE Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CCC2CCCC2)cc1OC ZINC000061927899 IE Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CCC2CCCC2)cc1OC ZINC000061927901 IE Annotated Anodyne CN(C)c1cccc(CNC(=O)c2ccc3sc([C@H]4C[C@H](O)[C@@H](CO)O4)nc3c2)c1 ZINC000061929255 IE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1cccs1 ZINC000061930444 IE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1cccs1 ZINC000061930447 IE Annotated Anodyne CCCCN1CC(=O)N2[C@@H]3c4cc(OC)ccc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O ZINC000061931370 IE Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(N4CCOCC4)cc3[C@@H]2C[C@@H]1N(C)C(=O)C(C)(C)C ZINC000061942568 IE Annotated Anodyne O=C(c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1O[C@@H]2C=C[C@H]1C2 ZINC000061943171 IE Annotated Bother C#CCNCCS(=O)(=O)N(Cc1ccc(Br)cc1)[C@@H](CC(C)C)C(=O)O ZINC000061943371 IE Annotated Mild CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCC3CC3)N21 ZINC000061944610 IE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(C)cc3)N1[C@@]2(CC)C(=O)OC ZINC000061944623 IE Annotated Anodyne CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(Cl)cc3)N21 ZINC000061944634 IE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(Cl)cc3)N1[C@@]2(C)C(=O)OC ZINC000061944655 IE Annotated Anodyne CCCCN1CCS(=O)(=O)N(Cc2ccccc2Br)C[C@H](C(=O)OC)C1 ZINC000061944754 IE Annotated Anodyne C#CCN1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@@H](CC(C)C)C1=O ZINC000061944833 IE Annotated Mild Cc1cccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000061945416 IE Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCc2cnnn2CCCC1=O ZINC000061945432 IE Annotated Anodyne Cc1ccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000061945539 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061945566 IE Annotated Anodyne Cc1ccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000061945801 IE Annotated Anodyne Cc1cccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000061945951 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945953 IE Annotated Anodyne Cc1ccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000061946085 IE Annotated Anodyne Cc1cccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000061946098 IE Annotated Anodyne Cc1cccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000061946102 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061946108 IE Annotated Anodyne Cc1ccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000061946215 IE Annotated Anodyne CSc1nc(N)nc2c1ncn2CC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1 ZINC000061947341 IE Annotated Anodyne C=CC[C@@H](CC(=O)NCCO)C(=O)N[C@H](C)COC(=O)[C@@H](CC=C)Cc1ccc(F)cc1 ZINC000061948391 IE Annotated Mild C=CC[C@@H](CC(=O)NCCO)C(=O)N[C@@H](C)COC(=O)[C@@H](CC=C)Cc1ccc(F)cc1 ZINC000061948399 IE Annotated Mild O=C(C[C@@H]1C/C=C\CCCC(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000061948433 IE Annotated Anodyne O=C(C[C@@H]1C/C=C\CCCC(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000061948449 IE Annotated Anodyne C=CC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@H](C)NC(=O)[C@H](CC=C)CC(=O)NCCO ZINC000061948631 IE Annotated Mild C=CC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](C)NC(=O)[C@H](CC=C)CC(=O)NCCO ZINC000061948640 IE Annotated Mild C=CCC[C@@H](Cc1ccc(F)cc1)C(=O)OCCNC(=O)[C@H](CC=C)CC(=O)NCCO ZINC000061948648 IE Annotated Mild CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccccc1 ZINC000061949126 IE Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061949128 IE 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(F)cc1 ZINC000061949144 IE Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(F)cc1 ZINC000061949176 IE 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)cc1 ZINC000061949180 IE Annotated Anodyne CCCN(CCC)Cc1c(C(=O)N/N=C\C(C)=C/c2ccco2)nnn1-c1nonc1N ZINC000061969770 IE Annotated Reactive CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000617981664 IE Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000617981665 IE Annotated Anodyne COc1ncccc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007577 IE Annotated Reactive COc1cccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1O ZINC000618007591 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 ZINC000618007673 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000618007719 IE Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000618007729 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(O)ccc2O)C1 ZINC000618007792 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000618007798 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)C1 ZINC000618007799 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 ZINC000618007851 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000618007879 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000618007880 IE Annotated Reactive COc1cccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1O ZINC000618007916 IE Annotated Reactive COc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1O ZINC000618007917 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)CSc2ccncc2)C1 ZINC000618008012 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)CSc2ccncc2)C1 ZINC000618008015 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(O)ccc2O)C1 ZINC000618008023 IE Annotated Reactive COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c(O)c1 ZINC000618008148 IE Annotated Reactive COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c(O)c1 ZINC000618008149 IE Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)CSc2ccncc2)CC1 ZINC000618008279 IE Annotated Reactive COc1ccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c(O)c1 ZINC000618008379 IE Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000618008463 IE Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000618008725 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(C#N)c2)C1 ZINC000618009189 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(C=O)c2)C1 ZINC000618009499 IE Annotated Reactive Cc1cc(C)n2ncc(C(=O)NCc3cn(CCSSCCN(C)C)nn3)c2c1 ZINC000618010443 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(F)c2)C1 ZINC000618010543 IE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000618012361 IE Annotated Reactive CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](CN1CCC[C@@H]1c1ccc(OC)cc1)N2CC ZINC000618012404 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](CN1CCC[C@H]1c1ccc(OC)cc1)N2CC ZINC000618012415 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](CN1CCC[C@@H]1c1ccc(OC)cc1)N2CC ZINC000618012418 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](CN1CCC[C@H]1c1ccc(OC)cc1)N2CC ZINC000618012419 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](c1csc(-c3ccccc3)n1)N2CCOC ZINC000618012876 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](c1csc(-c3ccccc3)n1)N2CCOC ZINC000618012877 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](c1csc(-c3ccccc3)n1)N2CCOC ZINC000618012878 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](c1csc(-c3ccccc3)n1)N2CCOC ZINC000618012879 IE Annotated Anodyne COc1cccc(NC(=O)CN(C)C[C@@H]2NC(=O)[C@@H]3[C@H](N2)SC[C@H]3c2ccccc2)c1 ZINC000618013351 IE Annotated Anodyne COc1cccc(NC(=O)CN(C)C[C@@H]2NC(=O)[C@@H]3[C@@H](N2)SC[C@H]3c2ccccc2)c1 ZINC000618013357 IE Annotated Anodyne COc1cccc(NC(=O)CN(C)C[C@@H]2NC(=O)[C@H]3[C@@H](c4ccccc4)CS[C@H]3N2)c1 ZINC000618013358 IE Annotated Anodyne COc1cccc(NC(=O)CN(C)C[C@@H]2NC(=O)[C@@H]3[C@@H](N2)SC[C@@H]3c2ccccc2)c1 ZINC000618013359 IE Annotated Anodyne CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3NNC(=O)[C@H]4CCCC[C@H]43)n2)s1 ZINC000618013614 IE Annotated Anodyne CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3NNC(=O)[C@H]4CCCC[C@@H]43)n2)s1 ZINC000618013615 IE Annotated Anodyne CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3NNC(=O)[C@@H]4CCCC[C@@H]43)n2)s1 ZINC000618013616 IE Annotated Anodyne CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3NNC(=O)[C@@H]4CCCC[C@H]43)n2)s1 ZINC000618013617 IE Annotated Anodyne CC(C)CCN(Cc1ncc(Cl)n1C)[C@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@@H]1N ZINC000618014024 IE Annotated Anodyne CC(C)CCN(Cc1ncc(Cl)n1C)[C@@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@@H]1N ZINC000618014025 IE Annotated Anodyne CN(C[C@@H]1NC(=O)[C@H]2SCC[C@H]2N1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 ZINC000618014223 IE Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2SCC[C@H]2N1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 ZINC000618014238 IE Annotated Anodyne CN(C[C@@H]1NC(=O)[C@H]2SCC[C@@H]2N1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 ZINC000618014239 IE Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2SCC[C@@H]2N1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 ZINC000618014240 IE Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)NC(=O)[C@@H]2[C@H]1C ZINC000618014375 IE Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)NC(=O)[C@H]2[C@@H]1C ZINC000618014379 IE Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)NC(=O)[C@H]2[C@H]1C ZINC000618014380 IE Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)NC(=O)[C@@H]2[C@@H]1C ZINC000618014381 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](CN(CC)Cc1ccc3ccccc3n1)N2CC ZINC000618015001 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](CN(CC)Cc1ccc3ccccc3n1)N2CC ZINC000618015005 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](CN(CC)Cc1ccc3ccccc3n1)N2CC ZINC000618015006 IE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](CN(CC)Cc1ccc3ccccc3n1)N2CC ZINC000618015008 IE Annotated Anodyne CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@@H]1N ZINC000618015808 IE Annotated Anodyne CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@@H]1N ZINC000618015811 IE Annotated Anodyne CC(C)CCNC(=O)C1CCN([C@@H]2NC(=O)[C@@H]3SC[C@H](c4ccccc4F)[C@H]3N2)CC1 ZINC000618016571 IE Annotated Anodyne CC(C)CCNC(=O)C1CCN([C@@H]2NC(=O)[C@@H]3SC[C@@H](c4ccccc4F)[C@H]3N2)CC1 ZINC000618016576 IE Annotated Anodyne CC(C)CCNC(=O)C1CCN([C@@H]2NC(=O)[C@@H]3SC[C@H](c4ccccc4F)[C@@H]3N2)CC1 ZINC000618016577 IE Annotated Anodyne CC(C)CCNC(=O)C1CCN([C@@H]2NC(=O)[C@@H]3SC[C@@H](c4ccccc4F)[C@@H]3N2)CC1 ZINC000618016578 IE Annotated Anodyne CN(C)CCSSCCNC(=O)C1CCN(C(=O)COc2ccc(O)cc2)CC1 ZINC000618016820 IE Annotated Reactive CN(C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000618016941 IE Annotated Anodyne O=C1CCCN1CCOc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3ccc4nccn4c3)C2)cc1 ZINC000618016983 IE Annotated Anodyne CS(=O)(=O)NCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000618017005 IE Annotated Anodyne O=C(c1ccccc1CN1CCOCC1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 ZINC000618017049 IE Annotated Anodyne O=C(c1ccccc1CN1CCOCC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 ZINC000618017050 IE Annotated Anodyne Cc1nn(C)cc1NC(=O)CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@@H]2C1 ZINC000618017150 IE Annotated Anodyne CN(C)CCSSCCNC(=O)c1cnc2c(c1)nc(O)n2[C@@H]1CC[C@@H](O)CC1 ZINC000618017349 IE Annotated Reactive CCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H](C)CSSCCN(C)C)CC1 ZINC000618017805 IE Annotated Reactive C#CCOC[C@H]1CN(S(=O)(=O)C=C)CCN1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC000618020225 IE Annotated Mild O=C(O)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNCC2)c1ccc2c(c1)OCO2 ZINC000062224176 IE Annotated Anodyne COc1ccc(C(=O)N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)cc1F ZINC000621429237 IE Annotated Anodyne Cn1cc(CC(=O)N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)c2ccccc21 ZINC000621429252 IE Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(F)(F)F)c(C)cn23)n(C)c1=O ZINC000621431354 IE Annotated Anodyne COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(F)(F)F)c(C)cn23)n(C)c1=O ZINC000621431355 IE Annotated Anodyne COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(C)(C)C)c(C)cn23)n(C)c1=O ZINC000621431358 IE Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(C)(C)C)c(C)cn23)n(C)c1=O ZINC000621431359 IE Annotated Anodyne CC(C)(C)[Si](O[C@@H](C1OCCO1)[C@@H]1CO[S@](=O)O1)(c1ccccc1)c1ccccc1 ZINC000621431364 IE Annotated Reactive CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)c4n[nH]c(C)n4)c(=O)n(C)c3nc12 ZINC000621431440 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)c4n[nH]c(C)n4)c(=O)n(C)c3nc12 ZINC000621431441 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)c4nnc(C)o4)c(=O)n(C)c3nc12 ZINC000621431834 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)c4nnc(C)o4)c(=O)n(C)c3nc12 ZINC000621431835 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)c4nc(C)no4)c(=O)n(C)c3nc12 ZINC000621431861 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)c4nc(C)no4)c(=O)n(C)c3nc12 ZINC000621431862 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](c4nc[nH]n4)C(C)C)c(=O)n(C)c3nc12 ZINC000621476153 IE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](c4nc[nH]n4)C(C)C)c(=O)n(C)c3nc12 ZINC000621476154 IE Annotated Anodyne CS(=O)(=O)NC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 ZINC000621476422 IE Annotated Bother CS(=O)(=O)NC(=O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 ZINC000621476445 IE Annotated Bother O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)c1cncnc1 ZINC000621478144 IE Annotated Anodyne O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)N1CCOCC1 ZINC000621478349 IE Annotated Anodyne O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)c1csnn1 ZINC000621478561 IE Annotated Anodyne O=C(Nc1nn[nH]n1)[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000621485731 IE Annotated Anodyne O=C(Nc1nn[nH]n1)[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000621485732 IE Annotated Anodyne CN1CCN(c2nc(N/N=C\c3ccc(O)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000064245745 IE Annotated Mild CCN1C(N2CCN(Cc3ccc([N+](=O)[O-])s3)CC2)=NS(=O)(=O)c2ccccc21 ZINC000064409752 IE Annotated Bother CCOC(=O)c1sc(N(C(C)=O)N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)nc1C ZINC000064447709 IE Annotated Reactive CSc1nn(-c2ccccc2)c2nc(CNc3ccc(S(N)(=O)=O)cc3)[nH]c(=O)c12 ZINC000064447737 IE Annotated Anodyne CCOC(=O)Cc1csc(N(C(C)=O)N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)n1 ZINC000064448095 IE Annotated Reactive CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(I)c1OC ZINC000064448783 IE Annotated Anodyne CCOCCn1c(/N=C(\O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21 ZINC000064512482 IE Annotated Mild COCCCn1c(/N=C(\O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21 ZINC000064513468 IE Annotated Mild CCN(CC)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC ZINC000064526674 IE Annotated Mild COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)C(C)C)cnc21 ZINC000064526676 IE Annotated Mild COc1ccc([C@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000064527601 IE Annotated Bother COc1ccc([C@@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000064527603 IE Annotated Bother COc1ccccc1[C@H]1SCC(=O)N1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000064527683 IE Annotated Bother COc1ccccc1[C@@H]1SCC(=O)N1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000064527685 IE Annotated Bother O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000064527712 IE Annotated Bother O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1[N+](=O)[O-] ZINC000064527714 IE Annotated Bother COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2ccc(C(=O)N(C)C(C)C)nc21 ZINC000064528070 IE Annotated Mild O=c1c(O)c(-c2nnc(Cc3ccc(F)cc3)s2)nc2ccc(N3CCOCC3)cn12 ZINC000064539991 IE Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1cncc(S(N)(=O)=O)c1 ZINC000064550017 IE Annotated Mild CN(C)c1ccc([C@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000064553197 IE Annotated Clean CN(C)c1ccc([C@@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000064553200 IE Annotated Clean CC(C)(CNC(=O)C1(N)CC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064559046 IE Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1cccc(S(N)(=O)=O)n1 ZINC000064559205 IE Annotated Mild 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)/C=C\C(=O)O ZINC000064559335 IE Annotated Mild CN(O)C(=O)c1cc2c(CN3CCC[C@@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 ZINC000064559600 IE Annotated Anodyne CN(O)C(=O)c1cc2c(C(=O)N3CCC[C@@H]3CO)cn(Cc3ccc(F)cc3)c2cn1 ZINC000064573226 IE Annotated Anodyne O=C1Cc2cc(S(=O)(=O)N3CCN(c4ccc(Br)cc4)CC3)ccc2N1 ZINC000064734943 IE Annotated Anodyne CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000006547906 IE Annotated Anodyne CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000006547915 IE Annotated Anodyne COc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN(C(C)=O)CC3)=C(O)C2)cc1OC ZINC000006552917 IE Annotated Mild O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000006576994 IE Annotated Anodyne CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 ZINC000006577092 IE Annotated Anodyne CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 ZINC000006577093 IE Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1 ZINC000006577419 IE Annotated Anodyne Cc1csc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1 ZINC000006577961 IE Annotated Anodyne aggregator Cc1csc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1 ZINC000006577962 IE Annotated Anodyne aggregator CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 ZINC000006578204 IE Annotated Anodyne CN1C(=O)C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)N(C)C1=O ZINC000006733251 IE Annotated Anodyne CCc1ccc(I)c(CC)c1NC(=O)N(CC(=O)O)CC(=O)O ZINC000653634135 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4COC[C@H]4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653667545 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H](C3)N4C3COC3)nc(C3CC3)n2)cc1OC(F)F ZINC000653671231 IE Annotated Anodyne COCCN1C[C@@H]2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)C[C@@H]21 ZINC000653671280 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4OC[C@H]3[C@H]4F)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653678242 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4OC[C@H]3[C@@H]4F)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653678243 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4CN(C5COC5)[C@H]4C3)nc(C3CC3)n2)cc1OC(F)F ZINC000653678249 IE Annotated Anodyne COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CCC2)n1 ZINC000653680446 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](Oc4ccccc4)C3)n2)cn1 ZINC000653681028 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](Oc4ccccc4)C3)n2)cn1 ZINC000653681692 IE Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccc(N4CCOCC4)nc3)cnn12 ZINC000653685704 IE Annotated Anodyne CC(C)c1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl ZINC000653687654 IE Annotated Anodyne COc1ccc2c(c1NC(=O)[C@@H](N)CO)CCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000653693468 IE Annotated Anodyne Cn1cc(-c2cccc(C#N)c2)c2sc(/C(N)=N/C3CCS(=O)(=O)CC3)cc2c1=O ZINC000653693887 IE Annotated Mild O=C1COc2ccc(C(=O)C[n+]3cn(Cn4nnc5ccccc54)c4ccccc43)cc2N1 ZINC000653696871 IE Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C=C(c5nn[nH]n5)CC[C@@]43C)[C@@H]1CCC(=O)N2CCc1nn[nH]n1 ZINC000653697788 IE Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(Cn1ccc(=N)nc1O)=C2CCC1=CCOC1=O ZINC000653697854 IE Annotated Anodyne Cc1ccc2ccc(=O)n3c2c1[C@H](CN1CCC(NCc2cc4c(nn2)OCCO4)CC1)C3 ZINC000653708499 IE Annotated Anodyne CCOC(=O)Cn1cccc(NCc2cccn2S(=O)(=O)c2ccc(C)cc2)c1=O ZINC000653709022 IE Annotated Anodyne N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCCN3CCOCC3)c2nc1C#N ZINC000653714178 IE Annotated Mild C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(Cn1ccc(O)nc1=O)=C2CCC1=CCOC1=O ZINC000653714222 IE Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ccncn4)nn3)ccc2O)c1 ZINC000653715008 IE Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ncc[nH]4)nn3)ccc2O)c1 ZINC000653715009 IE Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CN=c4cc[nH]cc4)nn3)ccc2O)c1 ZINC000653715038 IE Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ncccn4)nn3)ccc2O)c1 ZINC000653726693 IE Annotated Anodyne O=C(COc1ccccc1)N[C@@H]1C(=O)N[C@H]1N(OCc1ccccc1)C(=O)c1ccccc1 ZINC000653742657 IE Annotated Anodyne CNc1nc(C)c(-c2nnc(SCc3cn(Cc4cnc(C)nc4N)nn3)o2)s1 ZINC000653746448 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(C(F)F)C3)n2)cc1OC(F)F ZINC000653748770 IE Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(N4CCCC4=O)cc2)C3=O)n1 ZINC000653749322 IE Annotated Anodyne CN(C)C1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC(F)(F)C3)n2)C1 ZINC000653754933 IE Annotated Anodyne C[C@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@H]1F ZINC000653755631 IE Annotated Anodyne C[C@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@@H]1F ZINC000653755632 IE Annotated Anodyne C[C@@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@@H]1F ZINC000653755633 IE Annotated Anodyne C[C@@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@H]1F ZINC000653755634 IE Annotated Anodyne COc1ccc(-n2cc(/C=C/C(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)nn2)cc1 ZINC000653757815 IE Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2)C[C@H]1C(=O)NCC(=O)O ZINC000653757831 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F ZINC000653760131 IE Annotated Anodyne CCO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CNC1CC1 ZINC000653760671 IE Annotated Mild CCO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1CNC1CC1 ZINC000653760674 IE Annotated Mild CC(C)S(=O)(=O)c1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000653760713 IE Annotated Anodyne CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@]1(C)CNC1CC1 ZINC000653762878 IE Annotated Mild CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@]1(C)CNC1CC1 ZINC000653762881 IE Annotated Mild C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(Cn1ccc(=N)nc1O)[C@H]2CCC1=CCOC1=O ZINC000653762975 IE Annotated Anodyne CCNC(=O)Nc1cn(-c2ncccn2)c2cc(-n3cnc(C(=O)NC4CC4)c3)cnc12 ZINC000653762999 IE Annotated Anodyne Nc1ncc(-c2cc(N3CCOCC3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F ZINC000653763884 IE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CCO[C@H]4C3)n2)cc1C(F)(F)F ZINC000653767501 IE Annotated Anodyne COc1cccc(-n2cc(/C=C/C(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)nn2)c1 ZINC000653771360 IE Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653779528 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653779529 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653779530 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653779531 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccs2)N[C@@H](c2cccs2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653779670 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@H](c2cccs2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653779673 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@@H](c2cccs2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653779676 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@@H](c2cccs2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653779678 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)N[C@H](c2ccsc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653779719 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)N[C@H](c2ccsc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653779720 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)N[C@@H](c2ccsc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653779721 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)N[C@@H](c2ccsc2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653779722 IE Annotated Anodyne Cc1c(C(F)(F)F)cc2nc(C(=O)N[C@@H](CO)C(=O)N3CCCC3)sc2c1[N+](=O)[O-] ZINC000653786053 IE Annotated Bother COc1ccc([C@H](OC)C(=O)Nc2nnc(N[C@@H]3CCN(c4cccnn4)C3)s2)cc1 ZINC000653812612 IE Annotated Anodyne COc1ccc(C(=O)NCCSCC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1 ZINC000653823199 IE Annotated Anodyne COC(=O)N[C@H](C(=O)NCCC[C@H]1CNCCO1)C(c1ccccc1)c1ccccc1 ZINC000653829367 IE Annotated Anodyne O=C(NO)c1ccc(=O)n(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c1 ZINC000653829394 IE Annotated Mild COc1cc(C)ccc1OCCN[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653831293 IE Annotated Anodyne COc1cc(C)ccc1OCCN[C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653831294 IE Annotated Anodyne COc1ccccc1OCCN[C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653833255 IE Annotated Anodyne COc1ccccc1OCCN[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653833256 IE Annotated Anodyne COc1cc(F)ccc1OCCN[C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653835867 IE Annotated Anodyne COc1cc(F)ccc1OCCN[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653835868 IE Annotated Anodyne COc1ccc(F)cc1OCCN[C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653835890 IE Annotated Anodyne COc1ccc(F)cc1OCCN[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653835891 IE Annotated Anodyne CCCN(C)C(=O)c1ccc(-c2cc(C3=C(N4CC4)C(=O)C=C(N4CC4)C3=O)no2)s1 ZINC000653836213 IE Annotated Mild CCN(CC)C(=O)c1ccc(-c2cc(C3=C(N4CC4)C(=O)C=C(N4CC4)C3=O)no2)s1 ZINC000653836216 IE Annotated Mild O=C1C=C(N2CC2)C(=O)C(c2cc(-c3ccc(C(=O)N4CCCC4)s3)on2)=C1N1CC1 ZINC000653837714 IE Annotated Mild CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(O)nc3)cc(N3CCN(C)CC3)nc21 ZINC000653841657 IE Annotated Anodyne CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4(C)CCN(C(=O)CO)CC4)s3)cc21 ZINC000653845378 IE Annotated Anodyne CN(C)C(=O)c1cccc(-c2cnc(N)c(-c3nc4cccc(N5CCNCC5)c4[nH]3)n2)c1 ZINC000653846188 IE Annotated Anodyne CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC)cc(=O)n12 ZINC000653846540 IE Annotated Anodyne O=C1CN(c2cccc3c2cnn3-c2ccccc2F)CCN1CC(=O)N1CC[C@H](F)C1 ZINC000653850837 IE Annotated Anodyne CN1c2ccc(-c3cncc(F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O ZINC000653852796 IE Annotated Anodyne CN1c2ccc(-c3cncc(F)c3N3CCC4(CC3)CNC(=O)O4)cc2CS1(=O)=O ZINC000653853269 IE Annotated Anodyne Cc1ccc(NC2=c3cc(Cl)ccc3=NC2=O)cc1NC1=c2cc(Cl)ccc2=NC1=O ZINC000653861035 IE Annotated Anodyne CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(O)ncnc34)c(N(C)C)c2)CC1 ZINC000653864055 IE Annotated Anodyne CCCCCCO[P@](=O)(O)[C@H]1C[C@@H](NC(=N)N)[C@H]([C@@H](NC(C)=O)C(CC)CC)[C@@H]1O ZINC000653866601 IE Annotated Anodyne COc1ccc(/C=N/c2cccc(B3OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O3)c2)c(O)c1 ZINC000653888023 IE Annotated Mild CC1(C)O[C@H]2O[C@@H]3COB(c4cccc(/N=C/c5cc([N+](=O)[O-])ccc5O)c4)O[C@@H]3[C@H]2O1 ZINC000653900920 IE Annotated Mild COc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(O)ncnc12 ZINC000653901701 IE Annotated Anodyne COc1cc(-c2nnc(SCC(=O)NCCc3ccccc3)n2N)cc(OC)c1OC ZINC000653901723 IE Annotated Anodyne COc1ccc(Cn2c(C)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653912778 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccccc2Br)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000066066655 IE Annotated Anodyne CC(C)S(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2OC2CCCC2)CC1 ZINC000066073859 IE Annotated Anodyne CN(Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1)[C@@H](CO)C(N)=O ZINC000066075803 IE Annotated Anodyne O=C1/C(=N\NC(=S)NO)c2cc(Cl)ccc2N1CN1CCN(c2ccccc2)CC1 ZINC000066079455 IE Annotated Mild CC(C)N1C(=O)C(=O)N=C1/N=C(\NCCCN(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066098425 IE Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1 ZINC000066122916 IE Annotated Anodyne C=CCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(CC=C)c1ccccc13 ZINC000066123314 IE Annotated Mild C=CCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(CC=C)c1ccccc13 ZINC000066123315 IE Annotated Mild C=CCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(CC=C)c1ccccc13 ZINC000066123316 IE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@]23CCC(=O)N(CC(C)C)C3=N1 ZINC000066138523 IE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(CC(C)C)C3=N1 ZINC000066138525 IE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@]23CCC(=O)N(CC(C)C)C3=N1 ZINC000066138528 IE Annotated Anodyne CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)(C(C)C)C1 ZINC000066139153 IE Annotated Anodyne CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F ZINC000066148640 IE Annotated Anodyne CC1(C)S[C@H]([C@@H](C=O)NC(=O)c2ccccc2-c2ccccc2C(=O)O)N[C@H]1C(=O)O ZINC000066166096 IE Annotated Mild CC(=O)O[C@H](c1ccc2c(c1)OCO2)[C@H]1C(=O)OC[C@@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000066259038 IE Annotated Anodyne CC(C)O[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N5CCC5)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000066262533 IE Annotated Anodyne C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(COC(C)=O)[C@H]1[C@H](OC(C)=O)C3=O ZINC000066263965 IE Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)[C@@H](OC(C)=O)[C@H]2[C@@]3(C)[C@@H](O)CC[C@@]2(C)COC(C)=O)[C@@H]1O ZINC000066263967 IE Annotated Mild Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](C)C2)CC1 ZINC000066322939 IE Annotated Anodyne world Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](C)C2)CC1 ZINC000066322943 IE Annotated Anodyne world COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3Cl)C2)nc(C)c1F ZINC000068153046 IE Annotated Anodyne CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1 ZINC000068197544 IE Annotated Anodyne O=C(CC[C@@]1(CCO)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000068207352 IE Annotated Anodyne O=C(CC[C@]1(CCO)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000068207357 IE Annotated Anodyne CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F ZINC000068243819 IE Annotated Anodyne CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C)ncc2CC3)C1 ZINC000068248840 IE Annotated Anodyne C[C@@H]1CN(c2nc(C(F)(F)F)no2)CCN1c1ncc(OCc2ccncc2C#N)cn1 ZINC000068250904 IE Annotated Mild Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 ZINC000068267365 IE Annotated Anodyne COC(=O)C[C@]1(C)Cc2cc3cc(OC)cc(C(=O)OC)c3c(C(=O)OC)c2C(=O)O1 ZINC000069482112 IE Annotated Anodyne in-vitro biogenic CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CCO[C@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@H]5O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000070454461 IE Annotated Anodyne in-vitro biogenic CCCCCC/C=C/C(=O)O[C@H]1C(=O)O[C@@H]2C[C@]13[C@H](C)C(=O)C[C@]3(O)[C@]1(COC1=O)[C@@H]2C ZINC000070455179 IE Annotated Mild in-vitro biogenic COc1ccc(N2C(=O)C(Cl)=C(N[C@@H]3C(=O)N(c4ccccc4)N(C)[C@@H]3C)C2=O)cc1 ZINC000070459640 IE Annotated Anodyne COc1ccc(N2C(=O)C(Cl)=C(N[C@@H]3C(=O)N(c4ccccc4)N(C)[C@H]3C)C2=O)cc1 ZINC000070459641 IE Annotated Anodyne COc1ccc(CNc2nc(N(C[C@@H](C)O)C[C@@H](C)O)nc3c2NCN3C(C)C)cc1 ZINC000070719175 IE Annotated Anodyne COc1ccc(CNc2nc(N(C[C@H](C)O)C[C@@H](C)O)nc3c2NCN3C(C)C)cc1 ZINC000070719176 IE Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccc(C5=NCCN5)cc4)CC3)s2)o1 ZINC000071295187 IE Annotated Bother CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC[C@@]1(C)N ZINC000071295865 IE Annotated Mild CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC[C@]1(C)N ZINC000071295866 IE Annotated Mild C[C@@H]1CO[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1 ZINC000071316200 IE Annotated Anodyne Cc1cnc2c(c1)S(=O)(=O)N(Cc1ccc(Br)cc1F)CN2CC(=O)O ZINC000071317477 IE Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(C)=O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000071318421 IE Annotated Mild O=C1c2ncc3c(c(S(=O)(=O)N4CCCC4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071329755 IE Annotated Clean Cn1nnc2cc(CN([C@@H]3CCCCNC3=O)S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000071331947 IE Annotated Anodyne COC[C@H](C)c1c(N2CC/C(=N\OC)[C@H](CN)C2)c(F)cc2c(O)c(C(=O)O)cnc12 ZINC000071340349 IE Annotated Mild COC[C@H](C)c1c(N2CC/C(=N\OC)[C@@H](CN)C2)c(F)cc2c(O)c(C(=O)O)cnc12 ZINC000071340350 IE Annotated Mild Cc1cc(S(=O)(=O)/N=C(\O)Nc2cc(C(F)(F)F)c(F)c(N)n2)sc1CCO ZINC000071340506 IE Annotated Mild COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccc(Cl)cc32)cc1 ZINC000071340777 IE Annotated Reactive CCCCNC(=S)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071341034 IE Annotated Anodyne COc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1S(=O)(=O)N1CCOCC1 ZINC000071928035 IE Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1cc(F)ccc1Br ZINC000072104815 IE Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1cc(F)ccc1Br ZINC000072104816 IE Annotated Anodyne CN(C)c1cccc(C(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(c3ccccc3)CC2)c1 ZINC000072106215 IE Annotated Anodyne 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@]14CO4)[C@H]32 ZINC000072112514 IE Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)nnn1Nc1ccc(Br)cc1 ZINC000072114746 IE Annotated Reactive O=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCOCC1)c1ccc(Br)cn21 ZINC000072118937 IE Annotated Clean CN(C)CCNC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072120143 IE Annotated Clean COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1ncccc1C3=O ZINC000072123326 IE Annotated Anodyne CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 ZINC000072123397 IE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@]23CCC(=O)N(Cc2ccco2)C3=N1 ZINC000072134873 IE Annotated Anodyne C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCc4ccco4)cn1c23 ZINC000072134880 IE Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(NCCCN3CCOCC3)c21 ZINC000072139786 IE Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(NCCCN3CCOCC3)c21 ZINC000072139787 IE Annotated Anodyne O=C1O/C(=C\Cn2ncc(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000072142589 IE Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccccc2[N+](=O)[O-])=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072142898 IE Annotated Mild COc1cc(N(C)C)ccc1-c1nc2c(c(=O)n(C)c(=O)n2C)n1-c1cc(F)cc(F)c1 ZINC000072170753 IE Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1cc(Br)cn1)C(=O)N1CCC[C@H]1O3 ZINC000072171062 IE Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1cc(Br)cn1)C(=O)N1CCC[C@@H]1O3 ZINC000072171063 IE Annotated Anodyne COc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1F ZINC000072171070 IE Annotated Anodyne COc1ccc(-n2c(-c3ccc(N(C)C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000072172315 IE Annotated Clean Nc1ncn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1 ZINC000072173066 IE Annotated Anodyne Nc1ccn(CC[C@]2(N)OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1 ZINC000072173413 IE Annotated Anodyne Nc1ccn(CC[C@@]2(N)OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1 ZINC000072173414 IE Annotated Anodyne CC(=O)Nn1c(Cc2c(NCCC(=O)O)sc3c2CCCC3)nnc1SCC#N ZINC000072174894 IE Annotated Mild O=c1n(-c2ccccc2Cl)cnn1C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072175028 IE Annotated Anodyne O=c1n(-c2ccccc2Cl)cnn1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072175029 IE Annotated Anodyne C[C@H](O)CNC(=O)COc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072175313 IE Annotated Mild C[C@@H](O)CNC(=O)COc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072175314 IE Annotated Mild N#Cc1c(-c2ccc(OCC(=O)NCCCO)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072175386 IE Annotated Mild O=c1n(-c2ccc(Cl)cc2)cnn1C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072175440 IE Annotated Anodyne O=c1n(-c2ccc(Cl)cc2)cnn1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072175441 IE Annotated Anodyne COc1cc(C2=NO[C@]3(C2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)ccc1O ZINC000072176676 IE Annotated Mild O=C1CC[C@@H](N2Cc3ccccc3C2=O)C(=O)N1CN1C(=S)c2ccccc2C1=S ZINC000072177026 IE Annotated Anodyne O=C1CC[C@H](N2Cc3ccccc3C2=O)C(=O)N1CN1C(=S)c2ccccc2C1=S ZINC000072177027 IE Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2cccc([N+](=O)[O-])c2)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177887 IE Annotated Mild COc1ccc(C2=NO[C@]3(C2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1OC ZINC000072178024 IE Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccc([N+](=O)[O-])cc2)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072179229 IE Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)c(N3CCOCC3)c1)C2 ZINC000072179293 IE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1N1CCOCC1)C2 ZINC000072180366 IE Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnc5ncccn45)nc3)c(F)c2)C(=O)O1 ZINC000072180453 IE Annotated Anodyne Cc1nc2sc(S(N)(=O)=O)nn2c(=O)c1/N=N/c1ccc(Br)cc1 ZINC000072180675 IE Annotated Clean CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F ZINC000072182493 IE Annotated Anodyne COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)NC(C)C)c3F)cc12 ZINC000072182605 IE Annotated Anodyne NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@@H]4CCc5ccccc54)ncnc32)C[C@H]1O ZINC000072190142 IE Annotated Anodyne investigational Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCS(C)(=O)=O)c2n1 ZINC000072317522 IE Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]nc(OC)c23)c1F ZINC000072317572 IE Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000072323545 IE Annotated Mild O=C(NCc1cc(F)cc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O ZINC000073138808 IE Annotated Anodyne C[C@H](Cn1cccn1)n1cnc2cc3c(=O)n([C@H](C)Cn4cccn4)cnc3cc2c1=O ZINC000073161521 IE Annotated Bother O=C(/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 ZINC000073169557 IE Annotated Mild O=C(/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 ZINC000073170191 IE Annotated Mild CC(C)(C)OC(=O)NCCNc1cc2c(cc1F)c(=O)c(C(=O)NCCO)cn2C1CC1 ZINC000073196192 IE Annotated Anodyne O=C(O)Cn1nnc(-c2cnc(N3C[C@@H]4C[C@H]3CN4c3cc(F)ccc3Cl)s2)n1 ZINC000073222578 IE Annotated Anodyne NC(=O)c1ccc2cc(C(=O)N3C[C@]4(CCN([C@@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073224522 IE Annotated Anodyne NC(=O)c1ccc2cc(C(=O)N3C[C@]4(CCN([C@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073224523 IE Annotated Anodyne O=C(CCC(=O)N1CCNCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073225030 IE Annotated Anodyne NC(=O)c1ccc2cc(C(=O)N3C[C@@]4(CCN([C@@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073240318 IE Annotated Anodyne NC(=O)c1ccc2cc(C(=O)N3C[C@@]4(CCN([C@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073240320 IE Annotated Anodyne O=C(CN1CCC[C@H]1C(=O)O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073277535 IE Annotated Anodyne CCOC(OCC)N1C(=O)[C@]2(C(OCC)OCC)C[C@@H]3[C@H](OC(=O)N3N)c3cccc1c32 ZINC000073352805 IE Annotated Anodyne CCOC(OCC)N1C(=O)[C@]2(C(OCC)OCC)C[C@H]3[C@H](OC(=O)N3N)c3cccc1c32 ZINC000073352811 IE Annotated Anodyne CCCn1c(-c2ccc(F)cc2)nc2c(NCCCN(CCO)CCO)nc(C)nc21 ZINC000007991791 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H]1C ZINC000007998137 IE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@H]1C ZINC000007998140 IE Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C ZINC000007998183 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000007998191 IE Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@@H]1C ZINC000007998192 IE Annotated Anodyne COc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)c(OC)c1 ZINC000008016849 IE Annotated Anodyne aggregator CC1(C)O[C@@H]2C[C@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 ZINC000008035285 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@H]1C ZINC000008035539 IE Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000008035561 IE Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)CCC[C@H]1C ZINC000008035591 IE Annotated Anodyne CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N\OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O ZINC000008035743 IE Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]21 ZINC000008035795 IE Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]21 ZINC000008035796 IE Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]21 ZINC000008035799 IE Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]21 ZINC000008035800 IE Annotated Mild O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000082069296 IE Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000082069297 IE Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000082069298 IE Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000082069299 IE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)NCCCN2CCN(C)CC2)C(C)C)co1 ZINC000082070168 IE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCCCN2CCN(C)CC2)C(C)C)co1 ZINC000082070169 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082070574 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082070575 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082070576 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082070578 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCOCCN(C)C)cs1 ZINC000082070907 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCOCCN(C)C)cs1 ZINC000082070908 IE Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCC2CCCCC2)cs1 ZINC000082071041 IE Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCC2CCCCC2)cs1 ZINC000082071042 IE Annotated Anodyne CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071100 IE Annotated Anodyne CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071101 IE Annotated Anodyne CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071120 IE Annotated Anodyne CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071121 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OC)cs1 ZINC000082071292 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OC)cs1 ZINC000082071294 IE Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCC(N)=O)cs1 ZINC000082072165 IE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCCCN3CCN(C)CC3)co2)cc1 ZINC000082073077 IE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCCCN3CCN(C)CC3)co2)cc1 ZINC000082073079 IE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)NCCCN2CCN(C)CC2)co1 ZINC000082073135 IE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)NCCCN2CCN(C)CC2)co1 ZINC000082073139 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082073805 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082073807 IE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCOCCN(C)C)cs1 ZINC000082074103 IE Annotated Anodyne O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000082081336 IE Annotated Bother O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000082081337 IE Annotated Bother O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000082081434 IE Annotated Bother O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000082081435 IE Annotated Bother O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000082081436 IE Annotated Bother O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000082081437 IE Annotated Bother CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1 ZINC000082082410 IE Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1 ZINC000082082412 IE Annotated Bother C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1 ZINC000082083202 IE Annotated Bother C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1 ZINC000082083205 IE Annotated Bother CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccco1 ZINC000082084140 IE Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccco1 ZINC000082084142 IE Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084387 IE Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084388 IE Annotated Mild COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)NCc3ccccc3N)cs2)c1 ZINC000082084781 IE Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085288 IE Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085289 IE Annotated Anodyne CN(CC(=O)NCCCN1CCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085694 IE Annotated Bother CN(CC(=O)NCCCN1CCCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085738 IE Annotated Bother CCCCOC(=O)COC(=O)CNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082089334 IE Annotated Anodyne CC[C@@H](COC)Nc1nc(N(C)CCN(C)C(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082118203 IE Annotated Anodyne CC[C@H](COC)Nc1nc(N(C)CCN(C)C(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082118204 IE Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082118556 IE Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082118557 IE Annotated Anodyne COCC(=O)NCCCNc1nc(NCc2ccco2)c2cc(OC)c(OC)cc2n1 ZINC000082118715 IE Annotated Anodyne COCC(=O)NCCCNc1nc(NCCCOC(C)C)c2cc(OC)c(OC)cc2n1 ZINC000082118746 IE Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCNC(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082118753 IE Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCNC(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082118754 IE Annotated Anodyne COc1ccccc1CCNc1nc(NC[C@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082128335 IE Annotated Anodyne COc1ccccc1CCNc1nc(NC[C@@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082128337 IE Annotated Anodyne COc1cccc(CCNc2nc(NC[C@H](O)CO)nc3cc(OC)c(OC)cc23)c1 ZINC000082128357 IE Annotated Anodyne COc1cccc(CCNc2nc(NC[C@@H](O)CO)nc3cc(OC)c(OC)cc23)c1 ZINC000082128359 IE Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3)n2)CC1 ZINC000082132885 IE Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000082132889 IE Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000082132891 IE Annotated Mild CCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134529 IE Annotated Bother CCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134537 IE Annotated Bother CCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134539 IE Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134674 IE Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134680 IE Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134681 IE Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135276 IE Annotated Mild CC(=O)N1CCN(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135518 IE Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135662 IE Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135663 IE Annotated Bother CC[C@@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135737 IE Annotated Bother CC[C@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135738 IE Annotated Bother CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135743 IE Annotated Bother CC[C@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135744 IE Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135839 IE Annotated Bother CC(=O)NCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135921 IE Annotated Bother CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136006 IE Annotated Bother CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136007 IE Annotated Bother CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136008 IE Annotated Bother CC(=O)NCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136009 IE Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(F)cc3)n2)CC1 ZINC000082139728 IE Annotated Mild Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145509 IE Annotated Mild Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145511 IE Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3cccc(C)c3)n2)CC1 ZINC000082145756 IE Annotated Mild CCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147991 IE Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148085 IE Annotated Bother CCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148105 IE Annotated Bother CCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148108 IE Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148183 IE Annotated Bother CC(C)CN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148185 IE Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148774 IE Annotated Mild CC(=O)N1CCN(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149036 IE Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149495 IE Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082149606 IE Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082149609 IE Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150020 IE Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)CC1 ZINC000082151304 IE Annotated Mild CSCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000082152511 IE Annotated Clean Nc1nc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc2nc(-c3ccco3)nn12 ZINC000082154612 IE Annotated Anodyne C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c(=O)c(C(=N)NO)cn1c23 ZINC000082158383 IE Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082164987 IE Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C ZINC000082164990 IE Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000082164991 IE Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C ZINC000082164992 IE Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082165824 IE Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082165826 IE Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082165828 IE Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082165830 IE Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082166096 IE Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082166097 IE Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082166099 IE Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082166101 IE Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166626 IE Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166632 IE Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082166721 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C ZINC000082166724 IE Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082166726 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C ZINC000082166727 IE Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082167592 IE Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082167593 IE Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 ZINC000082181942 IE Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 ZINC000082181943 IE Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCO ZINC000082192433 IE Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCO ZINC000082192435 IE Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCO ZINC000082192438 IE Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCO ZINC000082192442 IE Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082193834 IE Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082193837 IE Annotated Anodyne COc1ccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c(OC)c1 ZINC000082194907 IE Annotated Anodyne COc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c(OC)c1 ZINC000082194909 IE Annotated Anodyne COc1ccc(OC)c(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082194911 IE Annotated Anodyne COc1ccc(OC)c(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082194913 IE Annotated Anodyne COC(=O)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196015 IE Annotated Anodyne CC(=O)OC(C)(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196107 IE Annotated Anodyne COC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196154 IE Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)N1CCCC1)C3 ZINC000082196200 IE Annotated Anodyne CCOC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196283 IE Annotated Anodyne COC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196285 IE Annotated Anodyne CC(=O)OCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196341 IE Annotated Anodyne CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NCc2ccccc2)C1 ZINC000082196375 IE Annotated Anodyne CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3CC(=O)NCc2ccco2)C1 ZINC000082196411 IE Annotated Anodyne CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(C)=O)CC3 ZINC000082196419 IE Annotated Anodyne CC[C@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(C)=O)CC3 ZINC000082196420 IE Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 ZINC000082196423 IE Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 ZINC000082196424 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198612 IE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198613 IE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198614 IE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082198615 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cnccn2)C1 ZINC000082199468 IE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cnccn2)C1 ZINC000082199469 IE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cnccn2)C1 ZINC000082199470 IE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cnccn2)C1 ZINC000082199471 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cnccn2)C1 ZINC000082199472 IE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cnccn2)C1 ZINC000082199473 IE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cnccn2)C1 ZINC000082199474 IE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cnccn2)C1 ZINC000082199475 IE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCCN(C)c3ccccc3)n2)CC1 ZINC000082204192 IE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cccc(OC)c3OC)n2)CC1 ZINC000082204404 IE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cc(OC)cc(OC)c3)n2)CC1 ZINC000082204405 IE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCc3cc(OC)ccc3OC)n2)CC1 ZINC000082204413 IE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCc3ccc(OC)c(OC)c3)n2)CC1 ZINC000082204415 IE Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204669 IE Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204815 IE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2)c1ccncc1 ZINC000082204864 IE Annotated Anodyne NCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204975 IE Annotated Anodyne COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204998 IE Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205016 IE Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205039 IE Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205209 IE Annotated Anodyne C=CCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205319 IE Annotated Mild CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205339 IE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(CCc3scnc3C)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205384 IE Annotated Anodyne CCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205537 IE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 ZINC000082205577 IE Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205679 IE Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205848 IE Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206029 IE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206061 IE Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206220 IE Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206222 IE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206484 IE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206486 IE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206498 IE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206500 IE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@@H](C)N3)cc1 ZINC000082207247 IE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](C)N3)cc1 ZINC000082207250 IE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207484 IE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207486 IE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CCOC)c2=O)N1 ZINC000082207724 IE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CCOC)c2=O)N1 ZINC000082207729 IE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207896 IE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207900 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CO)c1 ZINC000082208105 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CO)c1 ZINC000082208107 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CO)c1 ZINC000082208109 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)CO)c1 ZINC000082208112 IE Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208415 IE Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208419 IE Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208518 IE Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208520 IE Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082208600 IE Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082208602 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082208685 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)CO ZINC000082208688 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082208691 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000082208694 IE Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208890 IE Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208893 IE Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209252 IE Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209254 IE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209263 IE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209266 IE Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209274 IE Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209278 IE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209377 IE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209380 IE Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209389 IE Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209393 IE Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209717 IE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209970 IE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209973 IE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210096 IE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210097 IE Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210291 IE Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210293 IE Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210534 IE Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210535 IE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 ZINC000082210570 IE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 ZINC000082210571 IE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210598 IE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210605 IE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000082211197 IE Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000082211203 IE Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 ZINC000082211208 IE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211646 IE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211649 IE Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211956 IE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H](COC)Cc3ccccc3)n2)CC1 ZINC000082212966 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219326 IE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219328 IE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219329 IE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000082219331 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@@H](C)O)c1 ZINC000082219538 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](C)O)c1 ZINC000082219541 IE Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](C)O)c1 ZINC000082219545 IE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082219952 IE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082219954 IE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082219956 IE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000082219957 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O ZINC000082219983 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082219985 IE Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082219988 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220116 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000082220118 IE Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220120 IE Annotated Anodyne O=C(N1CCOCC1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222861 IE Annotated Anodyne CCOC(=O)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222865 IE Annotated Anodyne COC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222873 IE Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)N1CCOCC1)C3 ZINC000082222886 IE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 ZINC000082224118 IE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082224501 IE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224505 IE Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231307 IE Annotated Anodyne O=C(NCCCc1nc2nc(N3CCC[C@H](O)C3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231369 IE Annotated Anodyne O=C(NCCCc1nc2nc(N3CCC[C@@H](O)C3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231370 IE Annotated Anodyne O=C(NCCCc1nc2nc(N3CCC[C@@H]3CO)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231476 IE Annotated Anodyne O=C(NCCCc1nc2nc(N3CCC[C@H]3CO)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231477 IE Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O ZINC000082231534 IE Annotated Anodyne O=C(NCCCc1nc2nc(N3CCC(O)CC3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000082231617 IE Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C)CCc3ccc(OC)c(OC)c3)ccc2[nH]c1=O ZINC000082231674 IE Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235299 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C ZINC000082235300 IE Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235301 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C ZINC000082235302 IE Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235327 IE Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235328 IE Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235329 IE Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235330 IE Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235433 IE Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235434 IE Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235435 IE Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235436 IE Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082235469 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000082235470 IE Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082235471 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000082235472 IE Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235546 IE Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C ZINC000082235547 IE Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235548 IE Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C ZINC000082235549 IE Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235827 IE Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235828 IE Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235829 IE Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235830 IE Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235970 IE Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235971 IE Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235972 IE Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235973 IE Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236133 IE Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236134 IE Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000082236155 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C ZINC000082236156 IE Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082236157 IE Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C ZINC000082236158 IE Annotated Anodyne CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN([C@@H]2CCCCO2)CC1 ZINC000084557224 IE Annotated Anodyne CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN([C@H]2CCCCO2)CC1 ZINC000084557225 IE Annotated Anodyne COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cccnc1C3=O ZINC000084597043 IE Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1ccnc(N)c1 ZINC000084616159 IE Annotated Anodyne COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cnccc1C3=O ZINC000084618550 IE Annotated Anodyne CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000084619197 IE Annotated Anodyne CC(=O)NN1C(=O)C(Cc2ccccc2)=NN2C1=NN(C(C)=O)[C@]2(C)c1ccc(C)cc1 ZINC000084619640 IE Annotated Anodyne CC(=O)NN1C(=O)C(Cc2ccccc2)=NN2C1=NN(C(C)=O)[C@@]2(C)c1ccc(C)cc1 ZINC000084619642 IE Annotated Anodyne COCCNc1ncnc2c(Nc3ccccc3SC)nc(N3CCNCC3)nc12 ZINC000084633267 IE Annotated Anodyne O[C@@]1(c2ncccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084651872 IE Annotated Anodyne O[C@]1(c2ncccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084651873 IE Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC)nn3c2)c1F ZINC000084651941 IE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)c(F)c1 ZINC000084654325 IE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)c(F)c1 ZINC000084654327 IE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)c(F)c1 ZINC000084654328 IE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)c(F)c1 ZINC000084654330 IE Annotated Anodyne C[C@H]1O[C@@H](n2cc(F)c(NC(=O)Oc3ccc(Cl)cc3)nc2=O)[C@@H]2OC(=O)O[C@H]12 ZINC000084670107 IE Annotated Anodyne CCOC(=O)c1nnc2c(/N=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(C)nn2c1N ZINC000084671691 IE Annotated Clean N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4ccncc4s3)CC2)CC1 ZINC000084671830 IE Annotated Mild O=C(c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F)N1CCN(c2cnccn2)CC1 ZINC000084687898 IE Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(CCc1ncon1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084689205 IE Annotated Anodyne O=[N+]([O-])c1ncn(CCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000084689412 IE Annotated Bother COCON1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)[C@@H]([C@H](O)C(C)C)C1=O ZINC000084705490 IE Annotated Anodyne COCON1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)[C@@H]([C@@H](O)C(C)C)C1=O ZINC000084705589 IE Annotated Anodyne N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4c(s3)CCC4)CC2)CC1 ZINC000084708656 IE Annotated Mild N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4cnccc4s3)CC2)CC1 ZINC000084712882 IE Annotated Mild C/C=C(\C)C(=O)C[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@]12O[C@@H](C)CC[C@H]2O ZINC000084723727 IE Annotated Mild COC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](O)C(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1 ZINC000084724161 IE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)cc1F ZINC000084756711 IE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)cc1F ZINC000084756713 IE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)cc1F ZINC000084756715 IE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)cc1F ZINC000084756718 IE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCNC2)sc1CCO ZINC000084757170 IE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCNC2)sc1CCO ZINC000084757172 IE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCNC2)sc1CCO ZINC000084757174 IE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCNC2)sc1CCO ZINC000084757176 IE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C2CCNCC2)sc1CCO ZINC000084757178 IE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C2CCNCC2)sc1CCO ZINC000084757180 IE Annotated Anodyne CC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CO)s2)[C@@H]2CCCCN2)cc1 ZINC000084757970 IE Annotated Anodyne CC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CO)s2)[C@@H]2CCCCN2)cc1 ZINC000084757971 IE Annotated Anodyne CC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CO)s2)[C@H]2CCCCN2)cc1 ZINC000084757973 IE Annotated Anodyne CC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CO)s2)[C@H]2CCCCN2)cc1 ZINC000084757975 IE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@@H]2CCCCN2)sc1CCO ZINC000084758273 IE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@@H]2CCCCN2)sc1CCO ZINC000084758274 IE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@H]2CCCCN2)sc1CCO ZINC000084758275 IE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@H]2CCCCN2)sc1CCO ZINC000084758276 IE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@@H]2CCCCN2)sc1CCO ZINC000084758277 IE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@@H]2CCCCN2)sc1CCO ZINC000084758278 IE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@H]2CCCCN2)sc1CCO ZINC000084758279 IE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@H]2CCCCN2)sc1CCO ZINC000084758280 IE Annotated Anodyne CC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)cc1 ZINC000084758281 IE Annotated Anodyne CC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)cc1 ZINC000084758282 IE Annotated Anodyne CC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)cc1 ZINC000084758283 IE Annotated Anodyne CC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)cc1 ZINC000084758284 IE Annotated Anodyne COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)C(=O)N(CCN(C)C)C2 ZINC000084758416 IE Annotated Anodyne Cc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)c1 ZINC000084884057 IE Annotated Anodyne COCCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2c1c1cc(C)ccc1n2C ZINC000008583812 IE Annotated Anodyne CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 ZINC000008585554 IE Annotated Mild Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)cc2c1 ZINC000008586262 IE Annotated Anodyne COc1ccc2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000008586486 IE Annotated Anodyne O=C1N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000008590587 IE Annotated Anodyne O=C1N[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000008590588 IE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)CO2 ZINC000008598407 IE Annotated Anodyne CCCCN(C)CCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)CC)cc2c1O ZINC000008602323 IE Annotated Anodyne CC(C)CO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 ZINC000008606186 IE Annotated Mild CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=S)[nH]c3c2)CC1 ZINC000008659886 IE Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(=S)[nH]c3c2)CC1 ZINC000008659887 IE Annotated Anodyne CCN(CC)C[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000008662090 IE Annotated Anodyne CCN(CC)C[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000008662091 IE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000008670672 IE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000008670673 IE Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccccc1Cl ZINC000008673304 IE Annotated Anodyne COc1ccc2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000008674170 IE Annotated Anodyne COc1ccc(COCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CCC2=O)cc1 ZINC000008680063 IE Annotated Anodyne COc1cccc(COCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CCC2=O)c1 ZINC000008680236 IE Annotated Anodyne O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCc2ccccc21 ZINC000008680566 IE Annotated Anodyne aggregator Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1 ZINC000008680587 IE Annotated Anodyne C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCc4ccco4)cn1c23 ZINC000008682259 IE Annotated Anodyne N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000008684872 IE Annotated Mild N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008684874 IE Annotated Mild COc1cc(/C=N/N=C(/S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1O ZINC000008688002 IE Annotated Mild CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C ZINC000008756010 IE Annotated Anodyne O=C(O)c1cc(/C=N/c2ccc(S(=O)(=O)N[C@H]3NC=CS3)cc2)c2c(c1)COCO2 ZINC000008781283 IE Annotated Mild C[C@@H]1CCCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)C1 ZINC000008812843 IE Annotated Anodyne C[C@H]1CCCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)C1 ZINC000008812845 IE Annotated Anodyne CCNC[C@@](O)(CCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](O)[C@H](C)N2)C[C@H]1O)CC(=O)O ZINC000085488153 IE Annotated Anodyne in-vitro biogenic CCNC[C@@](O)(CC[C@H](CO)CCC1CCC([C@@H]2CC[C@@H](O)[C@H](C)N2)CC1)CC(=O)O ZINC000085488163 IE Annotated Anodyne in-vitro biogenic CCNC[C@@](O)(CCCCCC[C@H](CC[C@@H]1CC[C@@H](O)[C@H](C)N1)CNC)CC(=O)O ZINC000085488264 IE Annotated Anodyne in-vitro biogenic CC[C@](Cc1cc(O)c(O)c(CCO)c1)(OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O ZINC000085510832 IE Annotated Clean in-vitro biogenic CC[C@H](O)[C@@H]1CCC[C@@]23C=C[C@@H](C=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]42)CN13 ZINC000085532534 IE Annotated Anodyne in-vitro biogenic COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592701 IE Annotated Clean in-vitro biogenic CCOC(=O)C1=C/C(=C\C[n+]2cc[nH]c2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595024 IE Annotated Anodyne in-vitro biogenic CNCC(=O)O[C@@H](CCc1ccc(O)c(OC)c1)C[C@@H](CCC[C@H](C)O)OC(C)=O ZINC000085596858 IE Annotated Anodyne in-vitro biogenic COc1cc(C)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(O)c1 ZINC000085598416 IE Annotated Anodyne in-man endogenous COc1c(O)ccc2c1C#CCc1cc(cc(OCO)c1O)CC[C@@H](O)CC(=O)CC2 ZINC000085626668 IE Annotated Mild in-vitro biogenic COc1cc(C[C@H]2CC#C[C@@H](CCNC[C@H](C)O)CC[C@H](O)C[C@@H]2OC(C)=O)ccc1O ZINC000085628470 IE Annotated Mild in-vitro biogenic CCCCCC/C=C\C(=O)O[C@H]1C(=O)O[C@@H]2C[C@]13[C@H](C)C(=O)C[C@]3(O)[C@]1(COC1=O)[C@@H]2C ZINC000085644674 IE Annotated Mild in-vitro biogenic CC[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](c5ccoc5)OC(=O)C[C@@]45O[C@@]4([C@@H](O)[C@]1(C)C[C@@]24O)[C@@]35O ZINC000085644907 IE Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C[C@]23C[C@H]4C[C@H](O[C@@]4(CO)[C@H]2O)[C@H]3[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]12 ZINC000085696739 IE Annotated Anodyne in-vitro biogenic CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085729717 IE Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085729724 IE Annotated Anodyne in-man CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)C5=O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085729728 IE Annotated Anodyne in-man CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)C5=O)[C@]3(C)CC[C@]2(C)CC1 ZINC000085729732 IE Annotated Anodyne in-man COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000085881848 IE Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC/C(C)=C\[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000085941972 IE Annotated Mild CCOc1ccc(/C(O)=C/C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 ZINC000085958812 IE Annotated Mild C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]2(O)C1=O ZINC000085961783 IE Annotated Mild O=C1CC[C@@]23/C=C\C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@@H]3C1 ZINC000085998271 IE Annotated Anodyne CC[C@@H](C)C(=O)C1=C2C3=COC([C@H]4C(=O)C[C@@H](O)C[C@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O ZINC000086035547 IE Annotated Mild C[C@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)[C@@H]1C ZINC000009125259 IE Annotated Anodyne C[C@H](NC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)c1ccc2c(c1)OCCO2 ZINC000009287970 IE Annotated Anodyne C[C@@H](NC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)c1ccc2c(c1)OCCO2 ZINC000009287977 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1)c1ccc2c(c1)OCCO2 ZINC000009287985 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1)c1ccc2c(c1)OCCO2 ZINC000009287992 IE Annotated Anodyne COc1ccc(C)cc1NC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1 ZINC000009407305 IE Annotated Anodyne Cn1c(=O)c2sccc2n2c(CCCC(=O)NC[C@@H]3CCN(C4CCCC4)C3)nnc12 ZINC000009431292 IE Annotated Anodyne Cn1c(=O)c2sccc2n2c(CCCC(=O)NC[C@H]3CCN(C4CCCC4)C3)nnc12 ZINC000009431295 IE Annotated Anodyne COc1ccccc1CNC(=O)c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529862 IE Annotated Mild COc1ccccc1CNC(=O)c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009529863 IE Annotated Mild COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N2CCC3(CC2)OCCO3)c1 ZINC000009546130 IE Annotated Anodyne COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2CCC3(CC2)OCCO3)c1 ZINC000009546131 IE Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC(=O)NC3CCCC3)c21 ZINC000009560343 IE Annotated Anodyne O=C(NC[C@H]1CN(c2ccc([C@H]3C=CS(=O)(=O)CC3)cc2)C(=O)O1)C(Cl)Cl ZINC000009574262 IE Annotated Reactive COc1cc2c(=O)n(-c3ccc(C)cc3)c(=O)n(CC(=O)Nc3cc(C)n[nH]3)c2cc1OC ZINC000009599441 IE Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NCCO)cc1 ZINC000009612905 IE Annotated Mild CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4)CC3)ccc21 ZINC000009677152 IE Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2ccco2)c1 ZINC000009749331 IE Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2)CC1 ZINC000009776637 IE Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c3c2)CC1 ZINC000009776638 IE Annotated Anodyne CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1 ZINC000009847703 IE Annotated Anodyne CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1 ZINC000009847706 IE 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]3O ZINC000095099561 IE Annotated Mild in-vitro biogenic Cc1nn(C)c(C)c1CC/C(O)=N/S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000095418901 IE Annotated Anodyne Cc1ccccc1N1C(=O)[C@H]2C=C[C@H](n3nc(O)n(Cc4ccccc4)c3=O)C[C@H]2C1=O ZINC000095551076 IE Annotated Anodyne C[C@@H](O)C(=O)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 ZINC000095552734 IE Annotated Anodyne C=C1C(=O)[C@]2(OC)C(=O)O[C@@]34C[C@H](C)C(C(=O)O)=C[C@@H]3CCC[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@H]24 ZINC000095554013 IE Annotated Mild NC(=O)c1cc2c(N3CCC(O)CC3)c(Br)c(C(F)(F)F)nc2nc1N ZINC000095554091 IE Annotated Anodyne CC(C)C[C@H](C(N)=O)N(CCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095554339 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F ZINC000095559026 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F ZINC000095559028 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F ZINC000095560194 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F ZINC000095560196 IE Annotated Anodyne Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cn(C)nc3c2)cn1 ZINC000095561512 IE Annotated Anodyne CN(C)S(=O)(=O)c1c(O)c(O)c(O)c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095562273 IE Annotated Clean Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)nn3c2)cn1 ZINC000095563075 IE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095564524 IE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095566743 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095566918 IE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095567334 IE Annotated Anodyne CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(CC(=O)OC)C(=O)c1cc(OC)ccc12 ZINC000095569271 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N2Cc3cc(N4CCOCC4)ccc3-n3nncc3C2)cc1 ZINC000095569400 IE Annotated Clean Cc1cc2c(cc1C)-n1nnnc1[C@H](N1CCN(C(=O)OCc3ccccc3)CC1)C(=O)N2 ZINC000095569487 IE Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@@H](N1CCN(C(=O)OCc3ccccc3)CC1)C(=O)N2 ZINC000095569488 IE Annotated Anodyne CC(C)NC(=O)CN1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 ZINC000095570079 IE Annotated Anodyne CC(C)NC(=O)CN1CCN([C@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 ZINC000095570080 IE Annotated Anodyne CCN1[C@H](C(=O)NCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]21 ZINC000095570776 IE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095571353 IE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095571529 IE Annotated Anodyne CN(C)C(=O)CNc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000095572351 IE Annotated Anodyne CCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(OC(C)C)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000095572623 IE Annotated Anodyne CCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(OC(C)C)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000095572624 IE Annotated Anodyne NC(=O)C1CCN(c2nc(-c3cc(F)c(Cl)cc3F)nc3c2CS(=O)(=O)C3)CC1 ZINC000095572641 IE Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1OC1CCC1 ZINC000095572799 IE Annotated Anodyne CC(C)(CO)Nc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(OC2CCC2)n1 ZINC000095573843 IE Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CS(C)(=O)=O)ccc1-n1cnc(C)c1 ZINC000095574021 IE Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccc(F)cc3)c2)OC1(C)C ZINC000095574940 IE Annotated Anodyne CCCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(OCC)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000095575529 IE Annotated Anodyne CCCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(OCC)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000095575530 IE Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1 ZINC000095577598 IE Annotated Anodyne CN(C)Cc1cn([C@H]2C[C@@H](C(=O)N3CCCC3)N(C(=O)CCCc3ccccc3)C2)nn1 ZINC000095577997 IE Annotated Anodyne CC(C)NC(=O)c1cc(N2CCN(C(=O)n3nnc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000095578391 IE Annotated Bother COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC3CCC3)O[C@H]2[C@@]1(C)F ZINC000095578438 IE Annotated Anodyne COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC3CCC3)O[C@H]2[C@@]1(C)F ZINC000095578439 IE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(Br)cc3)[C@@H]12 ZINC000095581024 IE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(Br)cc3)[C@@H]12 ZINC000095581025 IE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(Br)cc3)[C@H]12 ZINC000095581026 IE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(Br)cc3)[C@H]12 ZINC000095581027 IE Annotated Anodyne CN1CCC[C@H]2CN(c3ccc(-c4ccc5c(c4)OC[C@H]4[C@H](CO)OC(=O)N54)cn3)C[C@H]21 ZINC000095581541 IE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3cccc(Br)c3)[C@@H]12 ZINC000095583795 IE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3cccc(Br)c3)[C@@H]12 ZINC000095583796 IE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3cccc(Br)c3)[C@H]12 ZINC000095583797 IE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3cccc(Br)c3)[C@H]12 ZINC000095583798 IE Annotated Anodyne CON1CCN/C1=N\c1ccc(NC(=O)Nc2ccc(/N=C3\NCCN3OC)cc2)cc1 ZINC000095585396 IE Annotated Mild CCc1[nH]c2nc(Sc3cnc4[nH][nH]c(=O)c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095586055 IE Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@]3(O)CCC(=O)C[C@@H]3O)c[nH]c2=O)C1 ZINC000095586132 IE Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@@]3(O)CCC(=O)C[C@@H]3O)c[nH]c2=O)C1 ZINC000095586133 IE Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@]3(O)CCC(=O)C[C@H]3O)c[nH]c2=O)C1 ZINC000095586134 IE Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@@]3(O)CCC(=O)C[C@H]3O)c[nH]c2=O)C1 ZINC000095586135 IE Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@]3(O)CCC(=O)[C@@H]4O[C@@H]43)cn(O)c2=O)C1 ZINC000095587597 IE Annotated Anodyne CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000095588912 IE Annotated Anodyne CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1 ZINC000095590439 IE Annotated Anodyne Cc1nnc(-c2cn(CCCCO)c(Cn3c(=O)n(C4CC4)c4ccncc43)n2)s1 ZINC000095590493 IE Annotated Anodyne C=CCCCCCCCC(=O)N(C)[C@@H](CC[S@](C)=O)C(=O)N[C@H]1CCCCNC1=O ZINC000095591217 IE Annotated Mild C=CCCCCCCCC(=O)N(C)[C@@H](CC[S@@](C)=O)C(=O)N[C@H]1CCCCNC1=O ZINC000095591218 IE Annotated Mild CCOc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000095591396 IE Annotated Anodyne O=C1O[C@@H](CNS(=O)(=O)c2cccs2)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000095592041 IE Annotated Anodyne CCC1([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC000095592602 IE Annotated Mild O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccncc3)ncnc12 ZINC000095593794 IE Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cn2ccn(CCOc3ccccc3)c(=O)c2c(O)c1=O ZINC000095597917 IE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095598811 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095599000 IE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095599179 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095599334 IE Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(CC(=O)NC(C)C)CC1 ZINC000095599341 IE Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(CC(=O)NC(C)C)CC1 ZINC000095599342 IE Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095599573 IE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095599912 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095600338 IE Annotated Anodyne COC(=O)C1(C(=O)OC)c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1CC(C)=O ZINC000095600735 IE Annotated Anodyne COC(=O)C1(C(=O)OC)c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1CC(C)=O ZINC000095600736 IE Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095600802 IE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095600860 IE Annotated Anodyne CN(C)C[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CN(C)C)cc3OC2)cc1 ZINC000095601052 IE Annotated Anodyne CN(C)C[C@@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CN(C)C)cc3OC2)cc1 ZINC000095601053 IE Annotated Anodyne CN(C)C[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@@H](O)CN(C)C)cc3OC2)cc1 ZINC000095601054 IE Annotated Anodyne CN(C)C[C@H](O)COc1ccc2c(c1)OCC(c1ccc(OC[C@H](O)CN(C)C)cc1)=C2 ZINC000095601055 IE Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1 ZINC000095601720 IE Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1 ZINC000095601721 IE Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000095602386 IE Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)-n2c(nc4ccncc4c2=O)C3=O)CC1 ZINC000095602895 IE Annotated Anodyne CC#CCn1c(N2CCC[C@@H](N)C2)nc2ccn(Cc3cnc4ccccc4n3)c2c1=O ZINC000095602970 IE Annotated Mild CC#CCn1c(N2CCC[C@@H](N)C2)nc2ccn(Cc3nc(C)c4ccccc4n3)c2c1=O ZINC000095603210 IE Annotated Mild CCNC[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CNCC)cc3OC2)cc1 ZINC000095605544 IE Annotated Anodyne CCNC[C@@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CNCC)cc3OC2)cc1 ZINC000095605545 IE Annotated Anodyne CCNC[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@@H](O)CNCC)cc3OC2)cc1 ZINC000095605546 IE Annotated Anodyne CCNC[C@H](O)COc1ccc2c(c1)OCC(c1ccc(OC[C@H](O)CNCC)cc1)=C2 ZINC000095605547 IE Annotated Anodyne Cc1cc(-c2ncnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)on1 ZINC000095608411 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(Cc2cncnc2)CC1 ZINC000095661037 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095661075 IE Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cnccn5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095661159 IE Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cnccn5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095661239 IE Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@H]34)cc2)c1 ZINC000095661636 IE Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCC(F)(F)F)[C@@H]2CO ZINC000095661708 IE Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@@H]34)cc2)c1 ZINC000095662063 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)C2CC2)C1 ZINC000095662186 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)c2ccccc2)C1 ZINC000095662440 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2cncnc2)CC1 ZINC000095662561 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000095663075 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(S(C)(=O)=O)C1 ZINC000095663078 IE Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@@H]34)cc2)c1 ZINC000095663403 IE Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@H]34)cc2)c1 ZINC000095663429 IE Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@@H]34)cc2)c1 ZINC000095663803 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C)CC1 ZINC000095664022 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000095664495 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCOCC1)CC31CN(C(C)=O)C1 ZINC000095664580 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000095664751 IE Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@@H]34)cc2)c1 ZINC000095665352 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CC2)CC1 ZINC000095665768 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CC2)CC1 ZINC000095665770 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CC2)C1 ZINC000095665773 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CC2)C1 ZINC000095665775 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(CC2CC2)CC1 ZINC000095665928 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CCN(CC2CC2)CC1 ZINC000095665929 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095666018 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)c2ccncc2)C1 ZINC000095666096 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095666264 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)C2CCOCC2)C1 ZINC000095666266 IE Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)C3CC3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095666393 IE Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)C3CC3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095666396 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CCCC2)C1 ZINC000095666714 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CCCC2)C1 ZINC000095666715 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095666718 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)NC(C)C)C1 ZINC000095666720 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@H](CO)N2S(C)(=O)=O ZINC000095666840 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC1CCCC1)CC31CN(C(C)=O)C1 ZINC000095666842 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095666844 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095666850 IE Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C ZINC000095666942 IE Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095666954 IE Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095667052 IE Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095667054 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095667191 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095667550 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095667560 IE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)C12CN(C(=O)C1CC1)C2 ZINC000095667563 IE Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)C12CN(C(=O)C1CC1)C2 ZINC000095667565 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095667764 IE Annotated Anodyne O=C(CC1CC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 ZINC000095667869 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095668331 IE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095668549 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095668589 IE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 ZINC000095675113 IE Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 ZINC000095675114 IE Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 ZINC000095675115 IE Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 ZINC000095675116 IE Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 ZINC000095675117 IE Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 ZINC000095675118 IE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 ZINC000095675119 IE Annotated Anodyne O=C(Cc1ccncc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095675259 IE Annotated Anodyne O=C(Cc1ccncc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095675260 IE Annotated Anodyne O=C(Cc1ccncc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095675261 IE Annotated Anodyne O=C(Cc1ccncc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095675262 IE Annotated Anodyne O=C(Cc1ccncc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095675263 IE Annotated Anodyne O=C(Cc1ccncc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095675264 IE Annotated Anodyne O=C(Cc1ccncc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095675265 IE Annotated Anodyne O=C(Cc1ccncc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095675266 IE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095675469 IE Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 ZINC000095675624 IE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 ZINC000095675625 IE Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 ZINC000095675626 IE Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 ZINC000095675627 IE Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 ZINC000095675628 IE Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 ZINC000095675629 IE Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 ZINC000095675630 IE Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 ZINC000095675631 IE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 ZINC000095675632 IE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095675832 IE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095675833 IE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095675834 IE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095675835 IE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095675836 IE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095675837 IE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)[C@H](CO)O2)nn1 ZINC000095675920 IE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)nn1 ZINC000095675921 IE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@H](CO)O2)nn1 ZINC000095675922 IE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)nn1 ZINC000095675923 IE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)[C@H](CO)O2)nn1 ZINC000095675924 IE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)nn1 ZINC000095675925 IE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@H](CO)O2)nn1 ZINC000095675926 IE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)nn1 ZINC000095675927 IE Annotated Anodyne CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095676474 IE Annotated Anodyne CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO ZINC000095676475 IE Annotated Anodyne CCS(=O)(=O)N[C@@H]1C=C[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO ZINC000095676476 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 ZINC000095677158 IE Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 ZINC000095677159 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 ZINC000095677160 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 ZINC000095677161 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 ZINC000095677162 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 ZINC000095677163 IE Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 ZINC000095677164 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 ZINC000095677165 IE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095677739 IE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095677742 IE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095677744 IE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095677745 IE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095677748 IE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095677750 IE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095677751 IE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095677752 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095679657 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095679658 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095679659 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095679660 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095679661 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095679662 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095679663 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679672 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095679673 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095679674 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679675 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095679676 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679677 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095679678 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CC1)[C@@H](C)CO2 ZINC000095679763 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CC1)[C@H](C)CO2 ZINC000095679765 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CC1)[C@@H](C)CO2 ZINC000095679767 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CC1)[C@H](C)CO2 ZINC000095679769 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CC1)[C@@H](C)CO2 ZINC000095679771 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CC1)[C@H](C)CO2 ZINC000095679773 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CC1)[C@@H](C)CO2 ZINC000095679775 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CC1)[C@H](C)CO2 ZINC000095679783 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)COC)[C@@H](C)CO2 ZINC000095680071 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)COC)[C@H](C)CO2 ZINC000095680072 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)COC)[C@H](C)CO2 ZINC000095680073 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)COC)[C@@H](C)CO2 ZINC000095680074 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)COC)[C@H](C)CO2 ZINC000095680075 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)COC)[C@H](C)CO2 ZINC000095680076 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)COC)[C@@H](C)CO2 ZINC000095680077 IE Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C ZINC000095680078 IE Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C ZINC000095680079 IE Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C ZINC000095680080 IE Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C ZINC000095680081 IE Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C ZINC000095680082 IE Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C ZINC000095680083 IE Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C ZINC000095680084 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095687670 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095687671 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095687672 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095687673 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095687674 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095687675 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095687676 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)NC[C@H]1C ZINC000095687925 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095687926 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095687927 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)NC[C@H]1C ZINC000095687928 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095687929 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095687930 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095687931 IE Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C ZINC000095688236 IE Annotated Anodyne CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C ZINC000095688237 IE Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C ZINC000095688238 IE Annotated Anodyne CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C ZINC000095688239 IE Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C ZINC000095688240 IE Annotated Anodyne CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C ZINC000095688241 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095688284 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095688285 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095688286 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095688287 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095688288 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095688289 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095688290 IE Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C ZINC000095688311 IE Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C ZINC000095688312 IE Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C ZINC000095688313 IE Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C ZINC000095688314 IE Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C ZINC000095688315 IE Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C ZINC000095688316 IE Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C ZINC000095688317 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688361 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688362 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688363 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688364 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688365 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688366 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688367 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688368 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095689712 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095689713 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095689715 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095689717 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095689719 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095689722 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C ZINC000095689724 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C ZINC000095689725 IE Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C ZINC000095690476 IE Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C ZINC000095690479 IE Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C ZINC000095690480 IE Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C ZINC000095690482 IE Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C ZINC000095690484 IE Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C ZINC000095690486 IE Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C ZINC000095690488 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690521 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690523 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690526 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690528 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095690530 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690532 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690534 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690598 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095690600 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690602 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095690604 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095690606 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095690609 IE Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]1C ZINC000095690660 IE Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H]1C ZINC000095690662 IE Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H]1C ZINC000095690664 IE Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]1C ZINC000095690666 IE Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H]1C ZINC000095690668 IE Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]1C ZINC000095690670 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)COC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095690841 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)COC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095690879 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)COC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691049 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)COC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691120 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)COC)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095691227 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)COC)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095691305 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)COC)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691321 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)COC)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095691374 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(C)=O)C[C@H]1C ZINC000095691434 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095691746 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095691813 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C ZINC000095691969 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095691981 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095692768 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095692827 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095692946 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692957 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692961 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095692980 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095693049 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095693077 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095693162 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095693207 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095693209 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095693218 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095693250 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095693342 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095693356 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693478 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095693482 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)NC[C@H]1C ZINC000095693545 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)NC[C@H]1C ZINC000095693603 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095693680 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095693844 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693940 IE Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CCCCC1 ZINC000095694001 IE Annotated Anodyne CCOC(=O)N1CCN(CCC(=O)N[C@H]2C(=O)CC[C@@]3(C)c4cc(C)ccc4O[C@@H]23)CC1 ZINC000095696845 IE Annotated Anodyne CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699948 IE Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699949 IE Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699950 IE Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699951 IE Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699952 IE Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699953 IE Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701676 IE Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701677 IE Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701678 IE Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701679 IE Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701680 IE Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701681 IE Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701682 IE Annotated Mild CCC(=O)N(C)C[C@H]1Oc2cc(C#CC3CC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701683 IE Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701876 IE Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701877 IE Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701878 IE Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701879 IE Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701880 IE Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701881 IE Annotated Mild CCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701882 IE Annotated Mild CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701883 IE Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702136 IE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702137 IE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702138 IE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702139 IE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702140 IE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702141 IE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702142 IE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702143 IE Annotated Anodyne CNC[C@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709365 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709366 IE Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709367 IE Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709368 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709369 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095712386 IE Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095712389 IE Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095712391 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095712394 IE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712936 IE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712939 IE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712941 IE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712944 IE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712948 IE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712952 IE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712958 IE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712962 IE Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714833 IE Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095714835 IE Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714838 IE Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095714840 IE Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)C ZINC000095716261 IE Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095716263 IE Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#Cc3ccccc3)ccc2S1(=O)=O ZINC000095716265 IE Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)C ZINC000095716267 IE Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095716269 IE Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@H]1CN(C)C ZINC000095716271 IE Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#Cc3ccccc3)ccc2S1(=O)=O ZINC000095716273 IE Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095716275 IE Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3CC3)cnc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095716435 IE Annotated Mild C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3CC3)cnc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095716437 IE Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2ncc(C#CC3CC3)cc2C1=O ZINC000095716439 IE Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3CC3)cnc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095716441 IE Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3CC3)cnc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095716443 IE Annotated Mild C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3CC3)cnc2O[C@H]1CN(C)C(=O)CC1CC1 ZINC000095716445 IE Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC2CC2)Oc2ncc(C#CC3CC3)cc2C1=O ZINC000095716446 IE Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3CC3)cnc2O[C@@H]1CN(C)C(=O)CC1CC1 ZINC000095716448 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726446 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726448 IE Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726451 IE Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726453 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726456 IE Annotated Mild CNC[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726773 IE Annotated Anodyne CNC[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726775 IE Annotated Anodyne CNC[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726777 IE Annotated Anodyne CNC[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726780 IE Annotated Anodyne CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CC1)O2 ZINC000095727204 IE Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CC1)O2 ZINC000095727207 IE Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CC1)O2 ZINC000095727210 IE Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CC1)O2 ZINC000095727213 IE Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CC1)O2 ZINC000095727217 IE Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CC1)O2 ZINC000095727219 IE Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CC1)O2 ZINC000095727222 IE Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CC1)O2 ZINC000095727225 IE Annotated Mild CNC[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095728584 IE Annotated Anodyne CNC[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095728586 IE Annotated Anodyne CNC[C@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728589 IE Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095730001 IE Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095730004 IE Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730008 IE Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095730010 IE Annotated Anodyne CNC[C@@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095733533 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095733549 IE Annotated Mild CNC[C@@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095733851 IE Annotated Mild CNC[C@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095733934 IE Annotated Mild CNC[C@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095735576 IE Annotated Mild O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@@H]1c1ccc(O)cc1 ZINC000095784413 IE Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 ZINC000095784714 IE Annotated Anodyne CCOC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 ZINC000095784716 IE Annotated Anodyne COC(=O)[C@]1(Cc2ccc(O)c(C[C@@H]3OC3(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000095785587 IE Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(O)c(C[C@H]3OC3(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000095785589 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CN(C(C)=O)C1 ZINC000095793754 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000095793766 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000095793820 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)c2ccccc2)C1 ZINC000095793839 IE Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)c3cccnc3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095793858 IE Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)c3cccnc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095793859 IE Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095793895 IE Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095793899 IE Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095793910 IE Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095793913 IE Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095793916 IE Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095793918 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@H](CO)N2S(C)(=O)=O ZINC000095794087 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095794088 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095794090 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C ZINC000095794180 IE Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095794302 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095794335 IE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CCC2)C3)cc1 ZINC000095794365 IE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CCC2)C3)cc1 ZINC000095794367 IE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CCC2)C3)cc1 ZINC000095794369 IE Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095794443 IE Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095794446 IE Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095794449 IE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095794576 IE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095794613 IE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095794617 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2S(C)(=O)=O ZINC000095794619 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095794621 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095794623 IE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2S(C)(=O)=O ZINC000095794625 IE Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO ZINC000095794830 IE Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095794850 IE Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095794852 IE Annotated Anodyne O=C(CC1CC1)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 ZINC000095794883 IE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 ZINC000095794885 IE Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO ZINC000095794886 IE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 ZINC000095794887 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795200 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095795201 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795202 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795203 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795204 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795205 IE Annotated Anodyne CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795207 IE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@H]23)cc1 ZINC000095795208 IE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795278 IE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795279 IE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795297 IE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@H]23)cc1 ZINC000095795298 IE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795299 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095795316 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(OC)c3)cc1)[C@@H]2CO ZINC000095795351 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095795352 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(OC)c3)cc1)[C@@H]2CO ZINC000095795439 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@H]2C1 ZINC000095795440 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795451 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795452 IE Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@H]2C1 ZINC000095795473 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095795474 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095795475 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795482 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795484 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795485 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795486 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095795487 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095795488 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095795550 IE Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095795559 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795590 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795591 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795592 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795593 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795616 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795617 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795618 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795619 IE Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795622 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795639 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795640 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795641 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795642 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795643 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795644 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795681 IE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795682 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795883 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795884 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795885 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795900 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795901 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795902 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795903 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(S(C)(=O)=O)C1 ZINC000095795990 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)C2CC2)C1 ZINC000095796029 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1cnccn1)CC31CCN(C)CC1 ZINC000095796210 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000095796214 IE Annotated Anodyne COCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095796222 IE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095796308 IE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095796392 IE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095796393 IE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CCOCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095796570 IE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCOCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095796618 IE Annotated Anodyne COCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095796812 IE Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095796815 IE Annotated Anodyne COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095796829 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095796830 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095796831 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@H]23)cc1 ZINC000095796832 IE Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095796846 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095796847 IE Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@H]23)cc1 ZINC000095796848 IE Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095796849 IE Annotated Mild CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]1N2CC ZINC000095796863 IE Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO ZINC000095796882 IE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095796900 IE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)CC(=O)N3[C@H]2CO)cc1 ZINC000095796910 IE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@H]23)cc1 ZINC000095796911 IE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)CC(=O)N3[C@H]2CO)cc1 ZINC000095796951 IE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@H]23)cc1 ZINC000095796952 IE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095796953 IE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095796954 IE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095796955 IE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1 ZINC000095796956 IE Annotated Mild O=C(Cc1ccccn1)N[C@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO ZINC000095797002 IE Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095797028 IE Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095797063 IE Annotated Anodyne CC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#CC2(O)CCCC2)cc1 ZINC000095797104 IE Annotated Mild CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095797169 IE Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO ZINC000095797172 IE Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO ZINC000095797176 IE Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO ZINC000095797183 IE Annotated Anodyne CC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#CC2(O)CCCC2)cc1 ZINC000095797188 IE Annotated Mild O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO ZINC000095797215 IE Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)Nc1ccccc1 ZINC000095797222 IE Annotated Bother CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095797223 IE Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095797259 IE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797263 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095797290 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095797291 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095797292 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095797293 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095797294 IE Annotated Mild CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CCC(F)(F)F ZINC000095797371 IE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCCC2)C3)cc1 ZINC000095797429 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccn1 ZINC000095797510 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1ccccn1 ZINC000095797533 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797591 IE Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H]3[C@@H](CN3Cc3ccccc3C(=O)O)O2)cc1 ZINC000095797661 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797693 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095797716 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095797717 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095797718 IE Annotated Mild CN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO ZINC000095798350 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095798410 IE Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095798517 IE Annotated Mild CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(C)/C1=N\C(=O)/C=C/c1ccccc1 ZINC000095798554 IE Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(C)/C1=N\C(=O)/C=C/c1ccccc1 ZINC000095798555 IE Annotated Mild CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(C)/C1=N\C(=O)/C=C/c1ccccc1 ZINC000095798556 IE Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(C)/C1=N\C(=O)/C=C/c1ccccc1 ZINC000095798557 IE Annotated Mild Cc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000095810144 IE Annotated Anodyne Cc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095810147 IE Annotated Anodyne Cc1cccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000095810154 IE Annotated Anodyne Cc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000095810156 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095810160 IE Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)CC1CCCCC1 ZINC000095810168 IE Annotated Anodyne Cc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095810220 IE Annotated Anodyne Cc1ccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095810223 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095810243 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095810244 IE Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CCCCC1 ZINC000095810248 IE Annotated Anodyne Cc1ccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095810357 IE Annotated Anodyne Cc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095810361 IE Annotated Anodyne Cc1cccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000095810367 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095810370 IE Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)CC1CCCCC1 ZINC000095810374 IE Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCc2cn(nn2)CCCC1=O ZINC000095810376 IE Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CCCCC1 ZINC000095810378 IE Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)CC1CCCCC1 ZINC000095810379 IE Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCc2cn(nn2)CCCC1=O ZINC000095810380 IE Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CCCCC1 ZINC000095810381 IE Annotated Anodyne Cc1ccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095818366 IE Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CCCCC1 ZINC000095818389 IE Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCc2cnnn2CCCC1=O ZINC000095818390 IE Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)CC1CCCCC1 ZINC000095818393 IE Annotated Anodyne Cc1ccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095818507 IE Annotated Anodyne Cc1ccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095818508 IE Annotated Anodyne Cc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095818510 IE Annotated Anodyne Cc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095818512 IE Annotated Anodyne Cc1cccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095818534 IE Annotated Anodyne Cc1cccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095818537 IE Annotated Anodyne Cc1cccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095818538 IE Annotated Anodyne Cc1cccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000095818539 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095818540 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095818543 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095818544 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095818550 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095818552 IE Annotated Anodyne Cc1ccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095818610 IE Annotated Anodyne Cc1ccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095818613 IE Annotated Anodyne Cc1cccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095818638 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095818642 IE Annotated Anodyne Cc1ccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095834382 IE Annotated Anodyne Cc1cccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000095834384 IE Annotated Anodyne Cc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095834385 IE Annotated Anodyne Cc1ccccc1CN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095834388 IE Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CCCCC1 ZINC000095834389 IE Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)CC1CCCCC1 ZINC000095834750 IE Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095849781 IE Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095849809 IE Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095849855 IE Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095852453 IE Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095853570 IE Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095854045 IE Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095855379 IE Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095862225 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095864458 IE Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NC3CCC3)[C@H]2N1Cc1ccncc1 ZINC000095864478 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095864480 IE Annotated Mild CC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#CC2(O)CCCC2)cc1 ZINC000095864490 IE Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H]3[C@H](CN3Cc3ccccc3C(=O)O)O2)cc1 ZINC000095864496 IE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095864515 IE Annotated Mild CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095864523 IE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095864526 IE Annotated Mild Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H]3[C@@H](CN3Cc3ccccc3C(=O)O)O2)cc1 ZINC000095864536 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095864542 IE Annotated Mild CCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095864629 IE Annotated Anodyne CCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095864632 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C)CC1 ZINC000095864690 IE Annotated Anodyne COCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095864943 IE Annotated Anodyne COCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095864948 IE Annotated Anodyne CCC(=O)N1CC2(C1)CN(CC1CCOCC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865130 IE Annotated Anodyne CCCC(=O)N1CC2(CCN(S(C)(=O)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865139 IE Annotated Anodyne CCCC(=O)N1CC2(CCN(S(C)(=O)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865141 IE Annotated Anodyne CCC(=O)N1CC2(C1)CN(CC1CCOCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095865162 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C(C)=O)C1 ZINC000095865185 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C(C)=O)C1 ZINC000095865187 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C)CC1 ZINC000095865195 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C)CC1 ZINC000095865196 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2ccccc2)C1 ZINC000095865268 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2ccccc2)C1 ZINC000095865270 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000095865320 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000095865321 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CN(C(=O)C2CC2)C1 ZINC000095865390 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CCOCC1)CC31CN(C(=O)C2CC2)C1 ZINC000095865391 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)NC(C)C)C1 ZINC000095865462 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)NC(C)C)C1 ZINC000095865465 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]2N1CC ZINC000095865667 IE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095865675 IE Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CC2)CC1 ZINC000095865795 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CC2)CC1 ZINC000095865796 IE Annotated Anodyne CCCNC(=O)N1CC2(CN(C(=O)CC)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865940 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866408 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866409 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866410 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866411 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866412 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866414 IE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095866434 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866457 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095866458 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095866459 IE Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095866464 IE Annotated Mild CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]1N2CC ZINC000095866522 IE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095866532 IE Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)C2CCC2)[C@@H](C(=O)NC2CCCC2)[C@@H]1CO ZINC000095866537 IE Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000095866585 IE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC ZINC000095866589 IE Annotated Anodyne O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)Cc1cccnc1 ZINC000095866644 IE Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)Nc1ccccc1 ZINC000095866667 IE Annotated Bother O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)Cc1cccnc1 ZINC000095866790 IE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095866805 IE Annotated Mild CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC ZINC000095866818 IE Annotated Anodyne CC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#CC2(O)CCCC2)cc1 ZINC000095866819 IE Annotated Mild CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]2N1CC ZINC000095866855 IE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO ZINC000095866860 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCC3)N(C(=O)C3CCC3)[C@@H]21 ZINC000095866870 IE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095866894 IE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095866895 IE Annotated Anodyne O=C(NCCc1ccccc1)[C@@H]1N[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095866900 IE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095866932 IE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095866933 IE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095866934 IE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866935 IE Annotated Anodyne O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095866954 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866955 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866956 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095866957 IE Annotated Mild O=C(NC[C@@H]1CC[C@H]2[C@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)Nc1ccccc1 ZINC000095866971 IE Annotated Bother O=C(NC[C@H]1CC[C@H]2[C@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)Nc1ccccc1 ZINC000095866977 IE Annotated Bother O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095867003 IE Annotated Mild CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC ZINC000095867020 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2nccs2)C1 ZINC000095867403 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C(C)=O)C1 ZINC000095867415 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C(C)=O)C1 ZINC000095867417 IE Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)C3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095867520 IE Annotated Anodyne CCCC(=O)N1CC2(CN(C(=O)C3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095867521 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000095867558 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000095867559 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(S(=O)(=O)c2cccs2)C1 ZINC000095867788 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(S(=O)(=O)c2cccs2)C1 ZINC000095867806 IE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000095867855 IE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095867910 IE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)C12CN(C(=O)C1CC1)C2 ZINC000095867999 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(C(C)=O)C1 ZINC000095868588 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(C(C)=O)C1 ZINC000095868589 IE Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)CC)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868637 IE Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)CC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868638 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095868706 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095868707 IE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2nccs2)C1 ZINC000095868714 IE Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)c1ccccn1)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868826 IE Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)c1ccccn1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868827 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869180 IE Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095869185 IE Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869206 IE Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCCC2)C3)cc1 ZINC000095869221 IE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCCC2)C3)cc1 ZINC000095869251 IE Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CCCCC1 ZINC000095869358 IE Annotated Bother O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095869397 IE Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869471 IE Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)[C@@H]2N1Cc1ccncc1 ZINC000095869473 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F ZINC000095869489 IE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H]3[C@H](CN3Cc3ccccc3C(=O)O)O2)cc1 ZINC000095869494 IE Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869503 IE Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095869567 IE Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095869568 IE Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095869569 IE Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095869570 IE Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095869571 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095869575 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095869576 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095869577 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095869578 IE Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@H]34)cc2)c1 ZINC000095869603 IE Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@H]34)cc2)c1 ZINC000095869604 IE Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095869605 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095869612 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095869613 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095869614 IE Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095869615 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095871306 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095871307 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095871308 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095871309 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095871310 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095871311 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095871338 IE Annotated Mild O=C(c1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095871339 IE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095871393 IE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@H]23)cc1 ZINC000095871394 IE Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871395 IE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095871396 IE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Cc4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871427 IE Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095871428 IE Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095871429 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095871439 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095871440 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095871441 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095871472 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095871473 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095871474 IE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095871475 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095871507 IE Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095871508 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095871509 IE Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095871510 IE Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871531 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871532 IE Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095871533 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095871534 IE Annotated Mild O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095871770 IE Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(N(C)C)ccc4O[C@@H]3[C@@H](CO)O2)cc1 ZINC000095871943 IE Annotated Clean CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C ZINC000095872034 IE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095872045 IE Annotated Anodyne CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095874529 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095874530 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874531 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095874532 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095874533 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095874534 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874535 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095874536 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccn4)CCCCN3[C@H]2CO)cc1 ZINC000095874581 IE Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874582 IE Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874583 IE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874623 IE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095874624 IE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874625 IE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874626 IE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095874627 IE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874628 IE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874629 IE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874630 IE Annotated Mild O=C(CN1CCOCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874699 IE Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874700 IE Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874701 IE Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874702 IE Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874703 IE Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874704 IE Annotated Anodyne O=C(CN1CCOCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874705 IE Annotated Anodyne CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000095875524 IE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095875525 IE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095875526 IE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095875527 IE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@H]23)cc1 ZINC000095875528 IE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@H]23)cc1 ZINC000095875529 IE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000095875530 IE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095875531 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095876952 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095876953 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095876954 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095876955 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095876956 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095876957 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095876958 IE Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095876959 IE Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccn3)cc1)[C@@H]2CO ZINC000095877249 IE Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095877250 IE Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 ZINC000095877251 IE Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccn3)cc1)[C@@H]2CO ZINC000095877252 IE Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)cc1 ZINC000095877680 IE Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)cc1 ZINC000095877681 IE Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@H](CO)N3)cc1 ZINC000095877682 IE Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@H](CO)N3)cc1 ZINC000095877683 IE Annotated Mild COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@H](CO)N3)c1 ZINC000095877693 IE Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@H](CO)N3)c1 ZINC000095877694 IE Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)c1 ZINC000095877695 IE Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)c1 ZINC000095877696 IE Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C#Cc5ccccc5)cc4[C@@H]32)c1 ZINC000095877771 IE Annotated Mild Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(C#Cc5ccccc5)cc4[C@H]32)c1 ZINC000095877772 IE Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@@H]1CO ZINC000095878478 IE Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@H]1CO ZINC000095878479 IE Annotated Mild CN(C)CC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3[C@@H]21 ZINC000095878674 IE Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@H](CO)N3)cc1 ZINC000095878834 IE Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)cc1 ZINC000095878835 IE Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)cc1 ZINC000095878836 IE Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@H](CO)N3)cc1 ZINC000095878837 IE Annotated Anodyne O=C([C@H]1N[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]2[C@@H]1CO)N1CCc2ccccc2C1 ZINC000095878897 IE Annotated Anodyne O=C([C@@H]1N[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@H]1CO)N1CCc2ccccc2C1 ZINC000095878898 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2C(=O)CC ZINC000095878925 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC ZINC000095878926 IE Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2 ZINC000095878929 IE Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO ZINC000095878930 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(C)=O)[C@@H](C(=O)NCC2CCCCC2)[C@@H]1CO ZINC000095878956 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CCCCC3)N(C(C)=O)[C@@H]21 ZINC000095878957 IE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CCC1 ZINC000095879031 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCC1 ZINC000095879036 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 ZINC000095879037 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 ZINC000095879042 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)C1CCC1 ZINC000095879043 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 ZINC000095879068 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CC1CCCC1 ZINC000095879069 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)C1CCC1 ZINC000095879106 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)C1CCC1 ZINC000095879107 IE Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCC1 ZINC000095879116 IE Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO ZINC000095879117 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)C1CCCC1 ZINC000095879122 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)C1CCCC1 ZINC000095879123 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCCC1 ZINC000095879134 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCC1 ZINC000095879135 IE Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccn1 ZINC000095879157 IE Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO ZINC000095879158 IE Annotated Anodyne CCN1[C@H](C(=O)NCc2ccccn2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879159 IE Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccn1 ZINC000095879160 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095879184 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095879185 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 ZINC000095879189 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1ccncc1 ZINC000095879190 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1Cc1ccccn1 ZINC000095879194 IE Annotated Anodyne CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1Cc1ccccn1 ZINC000095879195 IE Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 ZINC000095879241 IE Annotated Anodyne CCC(=O)N1[C@H](C(=O)NC2CCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095879242 IE Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCCC1 ZINC000095879279 IE Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2C(=O)C1CCCCC1 ZINC000095879280 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095879291 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095879292 IE Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCCC1)[C@@H]2CO ZINC000095879311 IE Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCCC1 ZINC000095879312 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]1N2CCC ZINC000095879341 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC ZINC000095879342 IE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]2N1CCC ZINC000095879383 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]2N1CCC ZINC000095879384 IE Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCc1ccccc1 ZINC000095879425 IE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCCc1ccccc1)[C@@H]2CO ZINC000095879426 IE Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1N[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095879485 IE Annotated Anodyne O=C(NCCc1ccccc1)[C@@H]1N[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095879486 IE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095879499 IE Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095879500 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879530 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2CC1CC1 ZINC000095879531 IE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC(F)(F)F ZINC000095879563 IE Annotated Anodyne CCN1[C@H](C(=O)NCC(F)(F)F)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095879564 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(C)=O ZINC000095879565 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095879566 IE Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccc(F)c2)c3=O)[C@@H]1CO ZINC000095879612 IE Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2 ZINC000095879613 IE Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCOCC1 ZINC000095879769 IE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCOCC1)[C@@H]2CO ZINC000095879770 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095879830 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095879831 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C(=O)CC ZINC000095879838 IE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C(=O)CC ZINC000095879839 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)CC ZINC000095879844 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC ZINC000095879845 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NC3CCCC3)[C@H]2N1Cc1ccncc1 ZINC000095879853 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCC3)[C@@H]2N1Cc1ccncc1 ZINC000095879854 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095879885 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095879886 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095879954 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095879955 IE Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095879960 IE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095879961 IE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CCCCC1)[C@@H]2CO ZINC000095880016 IE Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CCCCC1 ZINC000095880017 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095880042 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095880043 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095880048 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095880049 IE Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)N4CCCCC4)[C@@H]3N2C)cc1 ZINC000095880079 IE Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)N4CCCCC4)[C@H]3N2C)cc1 ZINC000095880080 IE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095880081 IE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095880082 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1Cc1ccccn1 ZINC000095880092 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1Cc1ccccn1 ZINC000095880093 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)CC1CC1 ZINC000095880102 IE Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)CC1CC1 ZINC000095880103 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@H]2N1CC ZINC000095880110 IE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]2N1CC ZINC000095880111 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095880155 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095880156 IE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1 ZINC000095880159 IE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccc1 ZINC000095880164 IE Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO ZINC000095880165 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095880172 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095880173 IE Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095880194 IE Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095880195 IE Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 ZINC000095880198 IE Annotated Anodyne CCC(=O)N1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095880199 IE Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095880202 IE Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095880203 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C(=O)CC1CC1 ZINC000095880210 IE Annotated Anodyne C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095880221 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095880222 IE Annotated Anodyne C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095880223 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095880224 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 ZINC000095880235 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 ZINC000095880236 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2C)c1ccccc1 ZINC000095880237 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2C)c1ccccc1 ZINC000095880238 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1CCC(F)(F)F ZINC000095880263 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1CCC(F)(F)F ZINC000095880264 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cocn1 ZINC000095880275 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1cocn1 ZINC000095880276 IE Annotated Anodyne C[C@@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095880279 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095880280 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095880281 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095880282 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095880283 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1C(=O)c1ccccc1 ZINC000095880300 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1C(=O)c1ccccc1 ZINC000095880301 IE Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095880320 IE Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095880321 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C(=O)CC1CC1 ZINC000095880322 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C(=O)CC1CC1 ZINC000095880323 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095880326 IE Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095880327 IE Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095880347 IE Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880348 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)N(C(=O)CC3CC3)[C@@H]21 ZINC000095880421 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC2CC2)[C@@H](C(=O)N2CCCCC2)[C@@H]1CO ZINC000095880422 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(CCC(F)(F)F)[C@@H]21 ZINC000095880452 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC(F)(F)F)[C@@H](C(=O)NCC2CC2)[C@@H]1CO ZINC000095880453 IE Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1N[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095880475 IE Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095880476 IE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095880477 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095880511 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095880512 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)c1ccccc1 ZINC000095880564 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 ZINC000095880565 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2CC1CC1 ZINC000095880587 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880588 IE Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2 ZINC000095880593 IE Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO ZINC000095880594 IE Annotated Anodyne CCN1[C@H](C(=O)NCC2CC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]21 ZINC000095880599 IE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CC1 ZINC000095880600 IE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1Cc3ccccc3C1)[C@@H]2CO ZINC000095880601 IE Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1Cc2ccccc2C1 ZINC000095880602 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095880615 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095880616 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1ccccn1 ZINC000095880651 IE Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1Cc1ccccn1 ZINC000095880652 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1C(=O)CC1CC1 ZINC000095880662 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(=O)CC1CC1 ZINC000095880663 IE Annotated Anodyne CN1[C@H](C(=O)NC2Cc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095880664 IE Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1Cc2ccccc2C1 ZINC000095880665 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC ZINC000095880694 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2C(=O)CC ZINC000095880695 IE Annotated Anodyne CCN1[C@H](C(=O)NCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]21 ZINC000095880756 IE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1 ZINC000095880757 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2Cc1ccncc1 ZINC000095880770 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 ZINC000095880771 IE Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095880777 IE Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095880778 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1Cc1ccccc1F ZINC000095880783 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1Cc1ccccc1F ZINC000095880784 IE Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)N4CCCCC4)N(C)[C@@H]32)c1 ZINC000095880821 IE Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N(C)[C@@H](C(=O)N3CCCCC3)[C@@H]2CO)c1 ZINC000095880822 IE Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO ZINC000095880841 IE Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2 ZINC000095880842 IE Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)NC4CCCC4)[C@@H]3N2C)c1 ZINC000095880849 IE Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)NC4CCCC4)[C@H]3N2C)c1 ZINC000095880850 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 ZINC000095880857 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2C)c1ccccc1 ZINC000095880858 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 ZINC000095880859 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2C)c1ccccc1 ZINC000095880860 IE Annotated Anodyne CCCN1[C@H](C(=O)NCC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]21 ZINC000095880922 IE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC ZINC000095880923 IE Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO ZINC000095880926 IE Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccc1 ZINC000095880927 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CCOCC1 ZINC000095880936 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCOCC1 ZINC000095880937 IE Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095880950 IE Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880951 IE Annotated Anodyne COc1cccc(CNC(=O)[C@H]2[C@H](CO)[C@H]3Cn4c(ccc(C5=CCCCC5)c4=O)[C@@H]2N3)c1 ZINC000095880964 IE Annotated Anodyne COc1cccc(CNC(=O)[C@H]2[C@@H]3N[C@@H](Cn4c3ccc(C3=CCCCC3)c4=O)[C@@H]2CO)c1 ZINC000095880965 IE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccc1 ZINC000095880968 IE Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO ZINC000095880969 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C(=O)C1CCCC1 ZINC000095880970 IE Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CCCC1 ZINC000095880971 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C(=O)CC ZINC000095881001 IE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1C(=O)CC ZINC000095881002 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095881039 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095881040 IE Annotated Anodyne CC(=O)N1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095881053 IE Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 ZINC000095881054 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 ZINC000095881059 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2Cc1ccncc1 ZINC000095881060 IE Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095881104 IE Annotated Anodyne O=C(NC1Cc2ccccc2C1)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095881105 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2C(=O)NC(C)C ZINC000095881106 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)NC(C)C ZINC000095881107 IE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)CC1CC1 ZINC000095881138 IE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)CC1CC1 ZINC000095881139 IE Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095881158 IE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095881159 IE Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1F ZINC000095881170 IE Annotated Anodyne CN1[C@H](C(=O)NCc2ccccc2F)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095881171 IE Annotated Anodyne CCC(=O)N1[C@H](C(=O)NC2CCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095881188 IE Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCCC1 ZINC000095881189 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095881211 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095881212 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095881241 IE Annotated Anodyne C[C@@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095881242 IE Annotated Anodyne C[C@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095881243 IE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO ZINC000095881250 IE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC ZINC000095881251 IE Annotated Anodyne CN1[C@H](C(=O)NCCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095881268 IE Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCCc1ccccc1 ZINC000095881269 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095881282 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095881283 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1ccncc1 ZINC000095881294 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 ZINC000095881295 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)C2CC2)[C@@H](C(=O)NC2CCCCC2)[C@@H]1CO ZINC000095881306 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCCC3)N(C(=O)C3CC3)[C@@H]21 ZINC000095881307 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2Cc1ccccn1 ZINC000095881316 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccn1 ZINC000095881317 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095881324 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095881325 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1Cc1cc(F)ccc1F ZINC000095881330 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1Cc1cc(F)ccc1F ZINC000095881331 IE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1N[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095881353 IE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1N[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095881354 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCC1)c1ccccc1 ZINC000095881364 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1)c1ccccc1 ZINC000095881365 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1)c1ccccc1 ZINC000095881366 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCC1)c1ccccc1 ZINC000095881367 IE Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 ZINC000095881388 IE Annotated Anodyne CC(=O)N1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095881389 IE Annotated Anodyne O=C([C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1)N1CCCCC1 ZINC000095881411 IE Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CC1CC1)N1CCCCC1 ZINC000095881412 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1Cc1ccccn1 ZINC000095881431 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1ccccn1 ZINC000095881432 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2Cc1cccnc1 ZINC000095881452 IE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 ZINC000095881453 IE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1C(=O)C1CCC1 ZINC000095881464 IE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1C(=O)C1CCC1 ZINC000095881465 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)[C@@H]2N1C(=O)C1CCC1 ZINC000095881493 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCCCC3)[C@H]2N1C(=O)C1CCC1 ZINC000095881494 IE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccn1 ZINC000095881515 IE Annotated Anodyne CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccccn1 ZINC000095881516 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(Cc3nccs3)[C@@H]21 ZINC000095881529 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2nccs2)[C@@H](C(=O)NCC2CC2)[C@@H]1CO ZINC000095881530 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095881592 IE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095881593 IE Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2 ZINC000095881637 IE Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccc(F)c2)c3=O)[C@@H]1CO ZINC000095881638 IE Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C)[C@@H](C(=O)N2CCCCC2)[C@@H]1CO ZINC000095881679 IE Annotated Anodyne COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)N(C)[C@@H]21 ZINC000095881680 IE Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CCCCC1 ZINC000095881711 IE Annotated Anodyne CN1[C@H](C(=O)NCC2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]21 ZINC000095881712 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CCCCC3)[C@@H]2N1C(C)=O ZINC000095881762 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CCCCC3)[C@H]2N1C(C)=O ZINC000095881763 IE Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095881809 IE Annotated Anodyne C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095881810 IE Annotated Anodyne C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1C)c1ccccc1 ZINC000095881811 IE Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1C)c1ccccc1 ZINC000095881812 IE Annotated Anodyne O=C(NC1CCCCC1)[C@@H]1N[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095881813 IE Annotated Anodyne O=C(NC1CCCCC1)[C@H]1N[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095881814 IE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)Nc1nccs1)[C@@H]2CO ZINC000095881839 IE Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1nccs1 ZINC000095881840 IE Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)Cc1ccccn1 ZINC000095884493 IE Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2C(=O)Cc1ccccn1 ZINC000095884494 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)[C@@H]2N1Cc1ccccn1 ZINC000095884505 IE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCCCC3)[C@H]2N1Cc1ccccn1 ZINC000095884506 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 ZINC000095884906 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 ZINC000095884907 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 ZINC000095884908 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 ZINC000095884909 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 ZINC000095884910 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 ZINC000095884911 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 ZINC000095884912 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 ZINC000095884913 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc(F)cc2)O1)Nc1nccs1 ZINC000095885780 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1)Nc1nccs1 ZINC000095885781 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc(F)cc2)O1)Nc1nccs1 ZINC000095885782 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1)Nc1nccs1 ZINC000095885783 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F ZINC000095886056 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F ZINC000095886057 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F ZINC000095886058 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F ZINC000095886059 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F ZINC000095886060 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F ZINC000095886061 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F ZINC000095886062 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F ZINC000095886063 IE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886203 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886204 IE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886205 IE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886206 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886207 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886208 IE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000095886209 IE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 ZINC000095886250 IE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 ZINC000095886251 IE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 ZINC000095886252 IE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 ZINC000095886253 IE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 ZINC000095886254 IE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 ZINC000095886255 IE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 ZINC000095886256 IE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 ZINC000095886257 IE Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095886392 IE Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095886393 IE Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095886394 IE Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095886395 IE Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095886396 IE Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095886397 IE Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095886398 IE Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 ZINC000095886399 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 ZINC000095886506 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 ZINC000095886507 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 ZINC000095886508 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 ZINC000095886509 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 ZINC000095886510 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 ZINC000095886511 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 ZINC000095886512 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 ZINC000095886513 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1ccncc1 ZINC000095886626 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCc1ccncc1 ZINC000095886627 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1ccncc1 ZINC000095886628 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1ccncc1 ZINC000095886629 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1ccncc1 ZINC000095886630 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCc1ccncc1 ZINC000095886631 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 ZINC000095886755 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 ZINC000095886756 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 ZINC000095886757 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 ZINC000095886758 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 ZINC000095886759 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 ZINC000095886760 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 ZINC000095886761 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 ZINC000095886762 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095887096 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095887097 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095887098 IE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095887099 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095887100 IE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095887101 IE Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095887102 IE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095887103 IE Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095887775 IE Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095887776 IE Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095887777 IE Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095887778 IE Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095887779 IE Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095887780 IE Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095887781 IE Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095887782 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888020 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888021 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888022 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888023 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888024 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888025 IE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888026 IE Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095888442 IE Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095888443 IE Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095888444 IE Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095888445 IE Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095888446 IE Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095888447 IE Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095888448 IE Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095888449 IE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 ZINC000095888685 IE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 ZINC000095888686 IE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 ZINC000095888687 IE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 ZINC000095888688 IE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 ZINC000095888689 IE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 ZINC000095888690 IE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 ZINC000095888691 IE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 ZINC000095888692 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 ZINC000095889100 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 ZINC000095889101 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 ZINC000095889102 IE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 ZINC000095889103 IE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 ZINC000095889104 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 ZINC000095889105 IE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 ZINC000095889106 IE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 ZINC000095889107 IE Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)no1 ZINC000095889297 IE Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)no1 ZINC000095889298 IE Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@@H]2CO3)no1 ZINC000095889299 IE Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)no1 ZINC000095889300 IE Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)no1 ZINC000095889301 IE Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)no1 ZINC000095889302 IE Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)no1 ZINC000095889303 IE Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)O)O[C@H]2CO3)no1 ZINC000095889304 IE Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)CC(F)(F)F)cc3C(=O)N2C)O1 ZINC000095891571 IE Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095891572 IE Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095891573 IE Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095891574 IE Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095891575 IE Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095891576 IE Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095891577 IE Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095891578 IE Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095891579 IE Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095892052 IE Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095892053 IE Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095892054 IE Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095892055 IE Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095892056 IE Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095892057 IE Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 ZINC000095892058 IE Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 ZINC000095892059 IE Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095892183 IE Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095892184 IE Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095892185 IE Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095892186 IE Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095892187 IE Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095892188 IE Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 ZINC000095892189 IE Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892212 IE Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892213 IE Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892214 IE Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892215 IE Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892216 IE Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 ZINC000095892217 IE Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cncs4)cc3C(=O)N2C)O1 ZINC000095893253 IE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000095893681 IE Annotated Anodyne O=C(CC1CC1)N1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893682 IE Annotated Anodyne O=C(CC1CC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095893683 IE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095893684 IE Annotated Anodyne O=C(c1cnccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095893888 IE Annotated Anodyne O=C(c1cnccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894070 IE Annotated Anodyne O=C(CC1CC1)N1[C@@H]2CN(S(=O)(=O)c3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894752 IE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@H]21 ZINC000095894753 IE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@@H]21 ZINC000095894754 IE Annotated Anodyne O=C(CC1CC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@@H]21 ZINC000095894755 IE Annotated Anodyne CO[C@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CCCC(=O)N(C)C[C@H]1O2 ZINC000095898446 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CCCC(=O)N(C)C[C@H]1O2 ZINC000095898447 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CCCC(=O)N(C)C[C@H]1O2 ZINC000095898448 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CCCC(=O)N(C)C[C@H]1O2 ZINC000095898449 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CCCC(=O)N(C)C[C@@H]1O2 ZINC000095898450 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CCCC(=O)N(C)C[C@@H]1O2 ZINC000095898451 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CCCC(=O)N(C)C[C@@H]1O2 ZINC000095898452 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)CCCC(=O)N(C)C[C@@H]1O2 ZINC000095898453 IE Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898475 IE Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898476 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898477 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898478 IE Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898479 IE Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898480 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898481 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898482 IE Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898483 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898484 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898485 IE Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898486 IE Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898487 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898488 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898489 IE Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898490 IE Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898507 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898508 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898509 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898510 IE Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898511 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898512 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)CN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898513 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898514 IE Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898531 IE Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898532 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898533 IE Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898534 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898535 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898536 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898537 IE Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898538 IE Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898539 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898581 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898582 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898583 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898584 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898585 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898586 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898587 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898588 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898589 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898590 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898591 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898592 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898593 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898594 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898595 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898596 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898667 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898668 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898669 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898670 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898671 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898672 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898673 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898674 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898675 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898676 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898677 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898678 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898679 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898680 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898681 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898682 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)CCCC(=O)N(C)C[C@H]1O2 ZINC000095898689 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)CCCC(=O)N(C)C[C@H]1O2 ZINC000095898690 IE Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)CCCC(=O)N(C)C[C@@H]1O2 ZINC000095898691 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)CCCC(=O)N(C)C[C@@H]1O2 ZINC000095898692 IE Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)CCCC(=O)N(C)C[C@@H]1O2 ZINC000095898693 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)CCCC(=O)N(C)C[C@H]1O2 ZINC000095898694 IE Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)CCCC(=O)N(C)C[C@H]1O2 ZINC000095898695 IE Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)CCCC(=O)N(C)C[C@@H]1O2 ZINC000095898696 IE Annotated Mild COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899332 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899333 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899334 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899335 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095899336 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095899337 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095899338 IE Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095899339 IE Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899665 IE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095899666 IE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899667 IE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095899668 IE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095899669 IE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095899670 IE Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095899671 IE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899917 IE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899918 IE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899919 IE Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900081 IE Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900082 IE Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900083 IE Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900084 IE Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900085 IE Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900086 IE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900135 IE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900136 IE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900137 IE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900138 IE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900139 IE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900140 IE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900141 IE Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(N(C)C)ccc4O[C@@H]3[C@H](CO)O2)cc1 ZINC000095900337 IE Annotated Clean COc1ccc(CNC(=O)C[C@@H]2C[C@H]3c4cc(N(C)C)ccc4O[C@H]3[C@@H](CO)O2)cc1 ZINC000095900338 IE Annotated Clean COc1ccc(CNC(=O)C[C@H]2C[C@H]3c4cc(N(C)C)ccc4O[C@H]3[C@H](CO)O2)cc1 ZINC000095900339 IE Annotated Clean O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095900490 IE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095900491 IE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095900492 IE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095900493 IE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095900494 IE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F ZINC000095900495 IE Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F ZINC000095900496 IE Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900563 IE Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900564 IE Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900565 IE Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900566 IE Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900567 IE Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900568 IE Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900569 IE Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900570 IE Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900917 IE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900918 IE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900919 IE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900920 IE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900921 IE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900922 IE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900923 IE Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901651 IE Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901652 IE Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901653 IE Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901654 IE Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901655 IE Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901656 IE Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901657 IE Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901967 IE Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901968 IE Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901969 IE Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901970 IE Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902084 IE Annotated Clean COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902085 IE Annotated Clean COc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902086 IE Annotated Clean COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902087 IE Annotated Clean COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902088 IE Annotated Clean COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095903173 IE Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095903174 IE Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095903176 IE Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095903177 IE Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1 ZINC000095903178 IE Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095903179 IE Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1 ZINC000095903180 IE Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095903181 IE Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903220 IE Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903221 IE Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903222 IE Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903224 IE Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903227 IE Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903228 IE Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903229 IE Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903231 IE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095903818 IE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095903819 IE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095903820 IE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095903821 IE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095903822 IE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095903823 IE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095903824 IE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095903825 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCCC1 ZINC000095903981 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCCC1 ZINC000095903982 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCCC1 ZINC000095903983 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCCC1 ZINC000095903985 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCCC1 ZINC000095903986 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCCC1 ZINC000095903987 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCCC1 ZINC000095903988 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCCC1 ZINC000095904223 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCCC1 ZINC000095904224 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCCC1 ZINC000095904226 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCCC1 ZINC000095904227 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCCC1 ZINC000095904228 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCCC1 ZINC000095904229 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCCC1 ZINC000095904230 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCCC1 ZINC000095904231 IE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904712 IE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904713 IE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904714 IE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904715 IE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904716 IE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904717 IE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904718 IE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904719 IE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095904797 IE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095904798 IE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095904799 IE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095904801 IE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095904803 IE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095904804 IE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095904805 IE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095904806 IE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095905308 IE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095905309 IE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095905310 IE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095905311 IE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095905312 IE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095905313 IE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095905314 IE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095905315 IE Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095905471 IE Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095905472 IE Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095905473 IE Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095905474 IE Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095905475 IE Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095905476 IE Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO ZINC000095905477 IE Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO ZINC000095905478 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095905519 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095905520 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095905521 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095905522 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095905523 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095905524 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095905525 IE Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095905526 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095905692 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095905693 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095905694 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095905695 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095905696 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095905697 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095905698 IE Annotated Anodyne O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095905707 IE Annotated Anodyne O=C(Cc1cccnc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095905708 IE Annotated Anodyne O=C(Cc1cccnc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095905709 IE Annotated Anodyne O=C(Cc1cccnc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095905710 IE Annotated Anodyne O=C(Cc1cccnc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095905711 IE Annotated Anodyne O=C(Cc1cccnc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095905712 IE Annotated Anodyne O=C(Cc1cccnc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095905713 IE Annotated Anodyne O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095905714 IE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](CO)O2)nn1 ZINC000095906151 IE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](CO)O2)nn1 ZINC000095906152 IE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](CO)O2)nn1 ZINC000095906153 IE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](CO)O2)nn1 ZINC000095906154 IE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](CO)O2)nn1 ZINC000095906155 IE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](CO)O2)nn1 ZINC000095906156 IE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](CO)O2)nn1 ZINC000095906157 IE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](CO)O2)nn1 ZINC000095906158 IE Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(Cl)cc1 ZINC000095906238 IE Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 ZINC000095906239 IE Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(Cl)cc1 ZINC000095906240 IE Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 ZINC000095906241 IE Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(Cl)cc1 ZINC000095906242 IE Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 ZINC000095906243 IE Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(Cl)cc1 ZINC000095906244 IE Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 ZINC000095906245 IE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095906797 IE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095906798 IE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095906799 IE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095906800 IE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095906801 IE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 ZINC000095906802 IE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 ZINC000095906803 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1ccc2c(c1)OCO2 ZINC000095908189 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc2c(c1)OCO2 ZINC000095908190 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1ccc2c(c1)OCO2 ZINC000095908191 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc2c(c1)OCO2 ZINC000095908192 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1ccc2c(c1)OCO2 ZINC000095908193 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc2c(c1)OCO2 ZINC000095908194 IE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1ccc2c(c1)OCO2 ZINC000095908195 IE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc2c(c1)OCO2 ZINC000095908196 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCCCC3)O[C@H]2CO)cc1 ZINC000095908239 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCCCC3)O[C@H]2CO)cc1 ZINC000095908240 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCCCC3)O[C@@H]2CO)cc1 ZINC000095908241 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCCCC3)O[C@@H]2CO)cc1 ZINC000095908242 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCCCC3)O[C@H]2CO)cc1 ZINC000095908243 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCCCC3)O[C@@H]2CO)cc1 ZINC000095908244 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCCCC3)O[C@H]2CO)cc1 ZINC000095908245 IE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCCCC3)O[C@@H]2CO)cc1 ZINC000095908246 IE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@@H](O)C[C@H](O)C(C)(C)[C@H]1C[C@@H]3OC(C)=O ZINC000095909325 IE Annotated Mild in-vitro biogenic 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]1[C@@H](O)C3 ZINC000095909984 IE Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](OC(C)=O)[C@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4C(=O)[C@H](OC(C)=O)[C@]3(C2)[C@@H]1O ZINC000095911650 IE Annotated Mild in-vitro biogenic C/C(=C\CC/C(C)=C/COc1ccc([C@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1)CO ZINC000095912065 IE Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@@](CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]43C)(C2)[C@@H]1O ZINC000095912333 IE Annotated Mild in-vitro biogenic CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@]2(C)CCC[C@]4(C)C(=O)O[C@H](C(=O)[C@]3(C)OC(C)=O)[C@@H]42)CO1 ZINC000095912785 IE Annotated Anodyne 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]3O ZINC000095912801 IE Annotated Mild in-vitro biogenic 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](O)C3 ZINC000095912811 IE Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]4(C)[C@@H]2[C@H](O)C[C@@H]1C3 ZINC000095912812 IE Annotated Mild in-vitro biogenic CCOC[C@H]1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000095912855 IE Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC(C)=O)OC[C@]234)[C@@H]1OC(C)=O ZINC000095913315 IE Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)C3 ZINC000095913363 IE Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@]3(C2)[C@@H]1O ZINC000095913439 IE Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)[C@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)C3 ZINC000095913483 IE Annotated Mild in-vitro biogenic CO[C@@H]1CC[C@]2(CC[C@]3(O2)[C@]24CCC[C@](C)(C(=O)OC2)[C@@H]4[C@H](OC(C)=O)C[C@@]32CO2)O1 ZINC000095913532 IE Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@]2(CC[C@]3(O2)[C@]24CCC[C@](C)(C(=O)OC2)[C@@H]4[C@H](OC(C)=O)C[C@@]32CO2)O1 ZINC000095913533 IE Annotated Anodyne in-vitro biogenic COC(=O)N1c2c(OC)cccc2[C@]23[C@H]4N5CCC[C@@]4(CC[C@]12C(=O)OC)CC(=O)[C@H]3C5 ZINC000095913677 IE Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H]2C(=O)c3ccoc3C[C@H]2[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000095913920 IE 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@H]4CC(=O)[C@@]32CO4)[C@@H]1OC(C)=O ZINC000095913947 IE Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@@]3([C@@H]1OC(C)=O)[C@@H]2O ZINC000095914763 IE Annotated Mild in-vitro biogenic COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@H]3C[C@H]12 ZINC000095914787 IE Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3OC(C)=O ZINC000095919439 IE Annotated Mild in-vitro biogenic O=S1(=O)C[C@@H](N2CCCCC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000096020791 IE Annotated Anodyne O=S1(=O)C[C@H](N2CCCCC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000096020792 IE Annotated Anodyne O=S1(=O)C[C@@H](N2CCCCC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096020793 IE Annotated Anodyne O=S1(=O)C[C@H](N2CCCCC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096020794 IE Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(Cc3cccc(C(F)(F)F)c3)nn2)S(=O)(=O)C1 ZINC000096020968 IE Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(Cc3cccc(C(F)(F)F)c3)nn2)S(=O)(=O)C1 ZINC000096020969 IE Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(NCCCN3CCOCC3)ccc21 ZINC000096021156 IE Annotated Anodyne COC(=O)[C@@H]1C[C@]23C=CCN2CC[C@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@]12CC3 ZINC000096085929 IE Annotated Anodyne COC(=O)[C@H]1C[C@]23C=CCN2CC[C@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@]12CC3 ZINC000096085930 IE Annotated Anodyne C/C(=N\N(C)C(N)=O)c1ccc2ncc([C@H](O)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096169135 IE Annotated Reactive C/C(=N\N(C)C(N)=O)c1ccc2ncc([C@@H](O)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096169136 IE Annotated Reactive C/C(=N\N1CC(=O)NC1=O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1 ZINC000096169147 IE Annotated Mild COC1=CC(=O)N(c2ccc3nc[nH]c3c2)[C@@H]1c1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000096172356 IE Annotated Clean COC1=CC(=O)N(c2ccc3nc[nH]c3c2)[C@H]1c1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000096172357 IE Annotated Clean Cc1ncnc(NC2=NCC3=C2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)c1F ZINC000096172510 IE Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(F)ccc3F)C2)nc(C2CC2)c1F ZINC000096173873 IE Annotated Anodyne Cc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(F)ccc3F)C2)nc(C2CC2)c1F ZINC000096173876 IE Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C2CC2)c1F ZINC000096173877 IE Annotated Anodyne CNc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccccc4F)c3=O)cc12 ZINC000096176310 IE Annotated Mild C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(-c3ccncc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177766 IE Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)O[C@H](C)C(=O)N4)CC2)c(C)c1 ZINC000096274105 IE Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)O[C@@H](C)C(=O)N4)CC2)c(C)c1 ZINC000096274106 IE Annotated Anodyne CCNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)O[C@H](C)C(=O)N4)CC2)cc1 ZINC000096274143 IE Annotated Anodyne CCNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)O[C@@H](C)C(=O)N4)CC2)cc1 ZINC000096274144 IE Annotated Anodyne CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc3ccc(Cl)cc3n2)c1=O ZINC000096284187 IE Annotated Mild CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc3cc(Cl)ccc3n2)c1=O ZINC000096284191 IE Annotated Mild CNc1cc(-c2cc(NC(=O)[C@H](Cc3ccc(F)cc3)NCc3c[nH]nn3)n(C)n2)ccn1 ZINC000096284436 IE Annotated Anodyne Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5cccnc5C4)CC3)CC2)ccn1 ZINC000096285184 IE Annotated Anodyne CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]4C2=O)CC1 ZINC000096286742 IE Annotated Anodyne COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23SC(=O)NC3=O)cc1OC ZINC000096888395 IE Annotated Anodyne CN(C)S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000096901357 IE Annotated Anodyne CN1C[C@H](c2ccc(O)c(O)c2)[C@]2(SC(=O)NC2=S)[C@]12C(=O)Nc1ccccc12 ZINC000096903683 IE Annotated Clean CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CC[C@@H](C(=O)c3csc(CN4CCCC4)n3)[C@@H]21 ZINC000096904371 IE Annotated Anodyne CCN(CC#CCF)CCNC(=O)c1cnc2cc(I)ccc2n1 ZINC000096905508 IE Annotated Mild CN1C[C@@H](c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](Cn5ccnn5)OC(=O)N43)cn2)OC1=O ZINC000096907353 IE Annotated Anodyne Cc1nc(-c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](Cn5ccnn5)OC(=O)N43)cn2)no1 ZINC000096907366 IE Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5cn(C)nn5)nc(=O)n(CC[C@@H]5CCCO5)c4c3c2)cn1 ZINC000096907423 IE Annotated Anodyne Cn1cc(-c2cnc3oc4c(-c5cn(C)nn5)nc(=O)n(CC[C@H]5CCCO5)c4c3c2)cn1 ZINC000096907424 IE Annotated Anodyne O=c1[nH]nc2c(NCCCc3cccc(OCCN4CCOCC4)c3)cc(Cl)cn12 ZINC000096907522 IE Annotated Anodyne O=C(NC[C@H](O)CO)c1ccc2c(c1)nc(COCc1ccccc1)n2Cc1ccco1 ZINC000096910697 IE Annotated Anodyne O=C(NC[C@@H](O)CO)c1ccc2c(c1)nc(COCc1ccccc1)n2Cc1ccco1 ZINC000096910698 IE Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)Nc1n[nH]c2c1CCN(CC1CCNCC1)C2=O ZINC000096916172 IE Annotated Anodyne O=C(CN1C(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000096917690 IE Annotated Anodyne COc1ncc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@@H]3C)c[nH]c12 ZINC000096921527 IE Annotated Anodyne COc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)o2)cc1 ZINC000096923032 IE Annotated Mild COc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)o2)cc1 ZINC000096923039 IE Annotated Bother CCCC[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 ZINC000096927643 IE Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3cc(Br)ccc3n3nnnc23)S1 ZINC000096931760 IE Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3cc(Br)ccc3n3nnnc23)S1 ZINC000096931761 IE Annotated Anodyne CCCN(C)C(=O)c1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2 ZINC000096932471 IE Annotated Anodyne NCCNCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000096932824 IE Annotated Bother CN(C)CCNC(=S)N/N=C\c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 ZINC000096933188 IE Annotated Mild CO[C@@H]1CCN2[C@H]1[C@@H]1C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]1[C@@H]2c1ccc(C(=N)N)cc1 ZINC000096941597 IE Annotated Anodyne CO[C@H]1CCN2[C@H]1[C@@H]1C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]1[C@@H]2c1ccc(C(=N)N)cc1 ZINC000096941600 IE Annotated Anodyne CO[C@@H]1C[C@@H]2[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]3[C@H](c3ccc(C(=N)N)cc3)N2C1 ZINC000096941605 IE Annotated Anodyne CO[C@H]1C[C@@H]2[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]3[C@H](c3ccc(C(=N)N)cc3)N2C1 ZINC000096941608 IE Annotated Anodyne CC(=O)OC(OC(C)=O)(OC(C)=O)O[P@](=O)(O)[C@H](O)c1ccc2ccccc2c1 ZINC000096941832 IE Annotated Anodyne CC(=O)OC(OC(C)=O)(OC(C)=O)O[P@](=O)(O)[C@@H](O)c1ccc2ccccc2c1 ZINC000096941833 IE Annotated Anodyne Cc1c(C(N)=O)sc2nc(C)n(/N=C3\SCC(=O)N3Cc3ccccc3)c(=O)c12 ZINC000098084352 IE Annotated Mild NC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000098085334 IE Annotated Clean CCN(CCOC)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1 ZINC000098194762 IE Annotated Anodyne N[C@@H](Cc1c[n+](CC[C@@H](O)CO)cn1CCCCCCCCc1ccccc1)C(=O)O ZINC000098208261 IE Annotated Anodyne