CC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CC(=O)N2CCOCC2)C1=O ZINC000001355368 HC Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363831 HC Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363833 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@]13C[C@@]2(C)O ZINC000100067046 HC Annotated Anodyne in-vitro CC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000100067047 HC Annotated Anodyne in-vitro C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1C(=O)[C@]3(O)[C@H]2O ZINC000100076522 HC Annotated Mild in-vitro biogenic CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]2[C@H](OC)[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000100266339 HC Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]2[C@H](OC)[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000100266347 HC Annotated Anodyne O=C(NCCCN1CCOCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000100288753 HC Annotated Anodyne O=C(NCCCN1CCOCC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000100288756 HC Annotated Anodyne Cc1cnc(C(=O)[C@@H](O)CO[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000100304612 HC Annotated Anodyne in-vitro OC1=CC[C@H]([C@H]2Oc3cc(O)ccc3C[C@@H]2O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1O ZINC000100406532 HC Annotated Anodyne in-vitro biogenic CCOC(=O)c1ccc(OC2=CNN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1 ZINC000100493418 HC Annotated Reactive COc1cc(C=O)cc2c1[C@@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@H]1N2C(C)=O ZINC000100496468 HC Annotated Anodyne COc1cc(C=O)cc2c1[C@@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@@H]2[C@@H]1N2C(C)=O ZINC000100496473 HC Annotated Anodyne C=C1C[C@]23C[C@@H]4CN5C[C@]6(C)C[C@H](OC(C)=O)C[C@]7([C@@H]46)[C@@H]2[C@H](O)[C@@H]1[C@@H](O)[C@@]3(O)[C@H]57 ZINC000100499771 HC Annotated Mild C=C1C[C@]23C[C@@H]4CN5C[C@]6(C)C[C@H](OC(C)=O)C[C@@]7([C@@H]2[C@H](O)[C@@H]1[C@@H](O)[C@@]3(O)[C@H]57)[C@H]46 ZINC000100499774 HC Annotated Mild COc1ccc([C@@H]2CC(=O)N=C3SC(N)=c4c(N)c(C#N)c(N)nc4=C32)cc1OC ZINC000100616077 HC Annotated Mild COc1ccc([C@H]2CC(=O)N=C3SC(N)=c4c(N)c(C#N)c(N)nc4=C32)cc1OC ZINC000100616079 HC Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCc4ccco4)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100797410 HC Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CCC4)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100800241 HC Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(CSCC4CC4)C(=N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000100801470 HC Annotated Mild CN(Cc1nc2cc[nH]nc-2n1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000100820029 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2[C@H]2[C@H]3C(=O)N(C(=O)OCC)C(=O)[C@@H]3[C@H]12 ZINC000100820721 HC Annotated Anodyne C/C1=C/C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 ZINC000100891853 HC Annotated Anodyne CCN1C[C@]2(CO)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000100899151 HC Annotated Anodyne in-vitro CCC(=O)CC(=O)CC(=O)C[C@@H](O)CC(=O)CC(=O)CC(=O)CC(=O)SC ZINC000100901081 HC Annotated Anodyne CCC(=O)CC(=O)CC(=O)C[C@H](O)CC(=O)CC(=O)CC(=O)CC(=O)SC ZINC000100901083 HC Annotated Anodyne CN1C(=O)[C@@H](C(=O)/C=C/c2ccccc2)[C@@H](NCCN2CCOCC2)N(C)C1=O ZINC000100930467 HC Annotated Mild CN1C(=O)[C@@H](C(=O)/C=C/c2ccccc2)[C@H](NCCN2CCOCC2)N(C)C1=O ZINC000100930468 HC Annotated Mild CN1C(=O)[C@H](C(=O)/C=C/c2ccccc2)[C@@H](NCCN2CCOCC2)N(C)C1=O ZINC000100930469 HC Annotated Mild CN1C(=O)[C@H](C(=O)/C=C/c2ccccc2)[C@H](NCCN2CCOCC2)N(C)C1=O ZINC000100930470 HC Annotated Mild CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000100947902 HC Annotated Mild CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000100947905 HC Annotated Mild CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000100948695 HC Annotated Unstable CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000100948698 HC Annotated Unstable CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4ccccc4)C3=O)N1C[C@H]1N[C@H]12 ZINC000100957162 HC Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4ccccc4)C3=O)N1C[C@H]1N[C@H]12 ZINC000100957166 HC Annotated Mild CC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)NO)c(F)c2)C(=O)O1 ZINC000101020706 HC Annotated Bother O=C(CO)NC[C@H]1CN(c2cc(F)c([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101036909 HC Annotated Anodyne C/N=C(\NC#N)N1C[C@H]2[C@H](c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)[C@H]2C1 ZINC000101037327 HC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C(=N)NC#N)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101037637 HC Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c([C@H]3[C@@H]4CN(C(=O)CO)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101037680 HC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(c5nn[nH]n5)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101038735 HC Annotated Anodyne CCN(CC)c1nc(C)c2[nH]c(SCC(=O)NCCN)[n+](CCCN(C)C)c2n1 ZINC000101081724 HC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000101130493 HC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000101176519 HC Annotated Mild CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@@H]1O ZINC000101181402 HC Annotated Anodyne CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@@H]1O ZINC000101181408 HC Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCCl)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000101209106 HC Annotated Reactive CO[C@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCCl)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000101209108 HC Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@H]1N[C@@H]12 ZINC000101231845 HC Annotated Mild O=C(NCCCN1CCOCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000101242348 HC Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCS)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000101245119 HC Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCS)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000101245122 HC Annotated Mild CCSCC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@]1(OC)[C@H]2COC(N)=O ZINC000101245608 HC Annotated Mild CCSCC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@@]1(OC)[C@H]2COC(N)=O ZINC000101245612 HC Annotated Mild NC1=N/C(=C\CCNC(=O)c2cc(Br)c(Br)[nH]2)C(=O)N1 ZINC000101248423 HC Annotated Anodyne CN(C)C(=O)OCCC1=C(N2CC2)C(=O)C(CCOC(=O)N(C)C)=C(N2CC2)C1=O ZINC000101259748 HC Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(Br)C(=N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000101264619 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4cccc(C)c4)C3=O)N1C[C@H]1N[C@H]12 ZINC000101355993 HC Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4cccc(C)c4)C3=O)N1C[C@H]1N[C@H]12 ZINC000101355994 HC Annotated Mild CC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@H](NC(C)=O)[C@H]4C3)c(F)c2)C(=O)O1 ZINC000101366550 HC Annotated Anodyne N#CCC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101404807 HC Annotated Mild CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)[C@@H]3C1=O ZINC000101411591 HC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@@H]3C1=O ZINC000101411680 HC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(OC)cc2OC)[C@@H]3C1=O ZINC000101411706 HC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)NCc2ccccc2OC)[C@@H]3C1=O ZINC000101411730 HC Annotated Anodyne O=S(=O)(c1c(Cl)nc2sccn12)[N+]1=C2C=C(N3CCNCC3)C=N[C@@H]2C=C1 ZINC000101435821 HC Annotated Anodyne O=S(=O)(c1c(Cl)nc2sccn12)[N+]1=C2C=C(N3CCNCC3)C=N[C@H]2C=C1 ZINC000101435826 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000101455480 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000101455919 HC Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H]2O ZINC000101460925 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCc4ccccc4)C3=O)N1C[C@H]1N[C@H]12 ZINC000101482439 HC Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCc4ccccc4)C3=O)N1C[C@H]1N[C@H]12 ZINC000101482441 HC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(c5nnn(C)n5)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101490765 HC Annotated Anodyne C=C(N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)/C(=N\OCC(=O)O)c1cscn1 ZINC000101491511 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4ccc(C)cc4)C3=O)N1C[C@H]1N[C@H]12 ZINC000101498297 HC Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4ccc(C)cc4)C3=O)N1C[C@H]1N[C@H]12 ZINC000101498298 HC Annotated Mild CN1C(CCl)=N[C@@H]2C(=O)C(C3=CC(=O)c4c(nc(CCl)n4C)C3=O)=CC(=O)[C@H]21 ZINC000101577411 HC Annotated Reactive CN1C(CCl)=N[C@@H]2C(=O)C(C3=CC(=O)c4c(nc(CCl)n4C)C3=O)=CC(=O)[C@@H]21 ZINC000101577417 HC Annotated Reactive CN1C(CCl)=N[C@H]2C(=O)C(C3=CC(=O)c4c(nc(CCl)n4C)C3=O)=CC(=O)[C@@H]21 ZINC000101577427 HC Annotated Reactive COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cnn(C)c3)c(=O)n12 ZINC000101619264 HC Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cnn(C)c3)c(=O)n12 ZINC000101627179 HC Annotated Anodyne CO/N=C1\CN(c2nc3c(cc2F)C(=O)[C@@H](C(=O)O)CN3C2CC2)CC12CNC2 ZINC000101640615 HC Annotated Mild CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000101666278 HC Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O ZINC000101666286 HC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000101666875 HC Annotated Mild COC(=O)/C=c1\s/c(=C(/C#N)C(=O)NCc2ccco2)n(-c2ccc(C)cc2)c1=O ZINC000101673002 HC Annotated Mild CCN1C[C@]2(O)CC[C@H](OC)[C@@]34[C@@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC ZINC000101687887 HC Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000101799786 HC Annotated Mild CS(=O)(=O)N1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101858322 HC Annotated Anodyne C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@@H]12 ZINC000101956540 HC Annotated Anodyne C[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@@H]12 ZINC000101956543 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)[C@@H]3C1=O ZINC000102017487 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@@H]3C1=O ZINC000102017518 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@H]3C1=O ZINC000102017521 HC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@H]3C1=O ZINC000102017524 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(OC)cc2OC)[C@@H]3C1=O ZINC000102017540 HC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O ZINC000102175385 HC Annotated Mild CNC(=O)[C@@H]1[C@H]2CN(c3c(F)cc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)C[C@H]21 ZINC000102241826 HC Annotated Anodyne CC(=O)CC[C@H]1C(=O)[C@@]23[C@@H](C(=O)[C@H](O)[C@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000102271384 HC Annotated Anodyne CCOC(=O)CCN1C(=O)[C@H]2CC[C@H]3/C(=N\OCC(C)C)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102623058 HC Annotated Mild CCOC(=O)CCN1C(=O)[C@H]2CC[C@@H]3/C(=N\OCC(C)C)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102712547 HC Annotated Mild C#CCCCO/N=C1\[C@@H]2CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12 ZINC000102714517 HC Annotated Mild CC(C)CO/N=C1\[C@@H]2CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12 ZINC000102771459 HC Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H]2O ZINC000102783483 HC Annotated Mild CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@@H](CC(=O)NCCO)C(=O)NCCOC1=O ZINC000102800988 HC Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCS(=O)(=O)CC3)O[C@@H]3O[C@]4(C)C[C@H](O)[C@@H]1[C@@]23OO4 ZINC000102824745 HC Annotated Reactive C[C@H]1[C@@H]2CC[C@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](N1CCS(=O)(=O)CC1)O[C@@H]4O3 ZINC000102825222 HC Annotated Reactive CC(C)(C)N/N=C(\C(=O)Nc1nnc(S)[nH]1)[C@H]1C(=O)Nc2ccccc2[S@@]1=O ZINC000102952486 HC Annotated Mild N#CCC(=O)N/N=C(/C(=O)Nc1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1N ZINC000103009408 HC Annotated Reactive C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)C=C(NCCN1CCCC1)C3=O ZINC000103025066 HC Annotated Mild C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)C=C(NCCN1CCOCC1)C3=O ZINC000103025708 HC Annotated Mild CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NCc2ccccc2OC)[C@@H]3C1=O ZINC000103030454 HC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@@H]2O ZINC000103105462 HC Annotated Mild CC(=O)O[C@H]1C=C[C@]23OC(=O)[C@]1(C)[C@H]2[C@H](C(=O)O)[C@@]12CC(=O)[C@@](CO)(CC[C@H]13)C2 ZINC000103109373 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@]3(O)O[C@H]2OCC ZINC000103138894 HC Annotated Mild CN(NC(=O)CC(=O)NN(C)C(=S)c1cncs1)C(=S)c1cncs1 ZINC000103147586 HC Annotated Reactive NC(=O)c1c(N2CCN(CCO)CC2)nc2sc3cc(Cl)ccc3n2c1=O ZINC000103166688 HC Annotated Anodyne Cc1nn(CC(=O)NNC(=S)Nc2ccccc2)c(=O)n1/N=C/c1ccncc1 ZINC000103168474 HC Annotated Reactive COc1cccc2c1C(=O)C(NCCOC(=O)[C@H](CS)NC(C)=O)=C(C)C2=O ZINC000103173281 HC Annotated Mild CC(C)C[C@@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N2CCOCC2)n1 ZINC000103176636 HC Annotated Anodyne CC(C)C[C@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N2CCOCC2)n1 ZINC000103176638 HC Annotated Anodyne CCC#CCOc1ccc(CCNC(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)O)cc1OC ZINC000103176688 HC Annotated Mild O=c1[nH]c(=O)n(OCCO)c(Sc2ccccc2)c1I ZINC000103189054 HC Annotated Anodyne COc1nc(NC(=O)NS(=O)(=O)c2csnc2COCCF)nc(OC)n1 ZINC000103192925 HC Annotated Anodyne COc1nc(NC(=O)NS(=O)(=O)c2ccoc2COCCF)nc(OC)n1 ZINC000103196120 HC Annotated Anodyne COc1nc(NC(=O)NS(=O)(=O)c2scnc2COCCF)nc(OC)n1 ZINC000103196127 HC Annotated Anodyne COc1nc(NC(=O)NS(=O)(=O)c2sccc2COCCF)nc(OC)n1 ZINC000103199237 HC Annotated Anodyne Cc1c(C(=O)NNC(N)=S)[nH]c(/C=C/c2ccccc2)c1C(=O)NNC(N)=S ZINC000103223677 HC Annotated Reactive N[C@@H](CC[P@@](=O)(Oc1ccccc1)O[C@@H](CCl)C(=O)NCC(=O)O)C(=O)O ZINC000103233366 HC Annotated Reactive N[C@H](CC[P@@](=O)(Oc1ccccc1)O[C@@H](CCl)C(=O)NCC(=O)O)C(=O)O ZINC000103233368 HC Annotated Reactive CN1C(=O)C(C(=O)[C@]2(C)[C@H](/C=C/CO)C=C[C@@H]3C[C@H](CO)CC[C@H]32)=C(O)[C@@H]1CO ZINC000103234098 HC Annotated Mild CN1C(=O)C(C(=O)[C@]2(C)[C@H](/C=C/CO)C=C[C@@H]3C[C@H](CO)CC[C@H]32)=C(O)[C@H]1CO ZINC000103234100 HC Annotated Mild CCOC(=O)c1cn(-c2cnn(-c3ccccc3)c(=O)c2N2CC3(COC3)C2)nn1 ZINC000103235288 HC Annotated Anodyne C=CC(=O)Nc1cc(N)nc(Sc2c(OC)nc(N3CCOCC3)nc2OC)n1 ZINC000103253562 HC Annotated Anodyne CCOC(=O)c1nnn(-c2ccccc2Br)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256635 HC Annotated Anodyne CCOC(=O)c1nnn(-c2ccc(Br)cc2)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256637 HC Annotated Anodyne COc1nsnc1OCCOCCOCCOCCOc1nsnc1OC ZINC000103261349 HC Annotated Anodyne N#Cc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000103261936 HC Annotated Mild CCOP(=O)(Cn1cc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1)OCC ZINC000103281666 HC Annotated Anodyne O=c1[nH]c(CSc2nc3c(Br)cnn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288852 HC Annotated Anodyne NC(=O)c1cc(C(=O)Cn2c[n+](Cc3ccccc3)c3c(O)nc(N)nc32)ccc1O ZINC000103289999 HC Annotated Anodyne C=C1C(=O)[C@@]23C(=O)[C@@H](O)[C@@H]4C(C)(C)[C@@H]5OC[C@]4(C(=O)/C5=C/OC)[C@@H]2CC[C@@H]1[C@H]3O ZINC000103292728 HC Annotated Mild CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(C=O)C(C(=O)O)=C3C1 ZINC000103524691 HC Annotated Mild in-vitro biogenic CNC(=N)N1C=C[C@H](CNCCO)[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@H](O)C(C(=O)O)=C3C1 ZINC000103524751 HC Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)C[C@H](O)[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C ZINC000103546418 HC Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@@H](CC[C@H]2[C@@](C)(O)[C@@H]2[C@@H]4O[C@@H]4C(C)(C)[C@]21O)[C@H]3O ZINC000103567653 HC Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000103582902 HC Annotated Mild in-vitro biogenic COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N[C@](CO)([C@@H](C)O)[C@H]3C[C@H]1OC[C@H]23 ZINC000103583569 HC Annotated Anodyne in-vitro biogenic Nc1nnc(CC(=O)NN/C=C2\C=C([N+](=O)[O-])C=C(Br)C2=O)s1 ZINC000103807246 HC Annotated Reactive O=C1C(O)=CC=C/C1=C\NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000103999909 HC Annotated Mild COc1ccc(C(=O)NNC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C)cc1 ZINC000104025368 HC Annotated Reactive O=C(CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)N[C@@H]1CCS(=O)(=O)C1 ZINC000104065790 HC Annotated Anodyne O=C(CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)N[C@H]1CCS(=O)(=O)C1 ZINC000104065796 HC Annotated Anodyne CCC/N=C1/N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C(=O)OC)N12 ZINC000104188749 HC Annotated Mild CC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)CC1 ZINC000104345918 HC Annotated Anodyne C=CCN1C(=O)[C@H]2[C@H](C(=O)NC)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NCc1ccc(OC)cc1 ZINC000104416092 HC Annotated Mild CC(=O)O[C@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@]3(C[C@H]1C)O[C@H]3C)C2=O ZINC000104955616 HC Annotated Mild CC(=O)O[C@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@]3(C[C@@H]1C)O[C@H]3C)C2=O ZINC000104955619 HC Annotated Mild Nc1ccn([C@@H]2O[C@H](COC(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000105180160 HC Annotated Anodyne COc1ccc(-c2c(C#N)c(N)n([C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)c(=S)c2C#N)cc1 ZINC000105530972 HC Annotated Mild COCC(=O)N1CC[C@H](Oc2ncnc3c2CN(c2cnc(OC)c(C#N)c2)CC3)C1 ZINC000113566958 HC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NC(=O)CO)n[nH]c2-3)C(=O)O1 ZINC000011524610 HC Annotated Anodyne CCn1nnn(CCN2CC[C@H](N(C(=O)COC)c3ccccc3F)[C@@H](C)C2)c1=O ZINC000011677730 HC Annotated Anodyne CCN1C[C@]2(O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC ZINC000115616998 HC Annotated Anodyne Cn1cnc2cc(-c3ccc(N)c(S(C)(=O)=O)c3)nc(NCCCO)c2c1=O ZINC000115622001 HC Annotated Anodyne CN1C(=O)C(=O)c2cc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)ccc21 ZINC000115623092 HC Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NCCO)n2)cc1S(C)(=O)=O ZINC000115625157 HC Annotated Anodyne CC(C)Nc1nc(-c2cnn(CC(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12 ZINC000115625732 HC Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCN(CCO)CC3)c2c1=O ZINC000115626295 HC Annotated Anodyne Nc1nc2c3ccc(C(=O)NCCO)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 ZINC000116238709 HC Annotated Anodyne C/C1=C\C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 ZINC000116460789 HC Annotated Anodyne N#Cc1ccccc1N1CCO[C@H]([C@H](O)C(=O)Nc2ccc3c(c2)CNC3=N)C1=O ZINC000117615257 HC Annotated Anodyne N#Cc1ccccc1N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc3c(c2)CNC3=N)C1=O ZINC000117615260 HC Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCN1CCOC1=O ZINC000012431570 HC Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCN1CCOC1=O ZINC000012431571 HC Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2cnn(C)c2)c(F)c1 ZINC000012432363 HC Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCc2cnn(C)c2)c(F)c1 ZINC000012432364 HC Annotated Anodyne COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cnccn2)c1OC ZINC000012443647 HC Annotated Anodyne COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cnccn2)c1OC ZINC000012443649 HC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(OC)cc2OC)[C@@H]3C1=O ZINC000012469421 HC Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000012479759 HC Annotated Anodyne CN(C)CCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NCCN(C)C ZINC000012509672 HC Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1S(=O)(=O)N(C)C ZINC000012563564 HC Annotated Anodyne Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@@H](O)COCc1ccccc1 ZINC000013115935 HC Annotated Anodyne Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@H](O)COCc1ccccc1 ZINC000013115937 HC Annotated Anodyne COC1=CC(=CNNC(=O)Cc2csc(N3CCOCC3)n2)C=C(OC)C1=O ZINC000013123110 HC Annotated Reactive COC1=C/C(=C/NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C=C([N+](=O)[O-])C1=O ZINC000013124175 HC Annotated Anodyne O=C1C=C/C(=C/NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)C=C1O ZINC000013130557 HC Annotated Mild CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)[C@@H]3C1=O ZINC000013131588 HC Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000013132045 HC Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000013132047 HC Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000013132049 HC Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000013132051 HC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@@H]3C1=O ZINC000013132093 HC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NCc2ccccc2OC)[C@@H]3C1=O ZINC000013132314 HC Annotated Anodyne CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 ZINC000013132702 HC Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000013147430 HC Annotated Anodyne CCOC(=O)C1=C(C)N=c2s/c(=C/C(=O)OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000013153764 HC Annotated Anodyne CCOC(=O)C1=C(C)N=c2s/c(=C/C(=O)OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000013153765 HC Annotated Anodyne CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)Cl)N(C)C1 ZINC000013298315 HC Annotated Reactive NC1=N[C@]23N(CCC[C@]2(O)N1)C(=O)c1cc(Br)c(Br)n13 ZINC000013309064 HC Annotated Anodyne O=C1NC(=O)[C@@H](C[C@H]2CNC(=O)c3cc(Br)c(Br)n32)N1 ZINC000013309133 HC Annotated Anodyne O=C1NC(=O)[C@H](C[C@H]2CNC(=O)c3cc(Br)c(Br)n32)N1 ZINC000013309137 HC Annotated Anodyne NC(=O)C1=C(O)[C@@H](N)[C@@H]2Cc3cc4c(Cl)ccc(O)c4c(O)c3C(=O)[C@]2(O)C1=O ZINC000013347840 HC Annotated Mild COc1cc(C=O)cc2c1[C@@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@@H]2[C@H]1N2C(C)=O ZINC000013368081 HC Annotated Anodyne O=S(=O)(O)Oc1cc(O)c(-c2c(O)cc(OS(=O)(=O)O)cc2O)c(O)c1 ZINC000013377041 HC Annotated Anodyne CC(=O)N/C=C/SC1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)O)[C@H]2C1 ZINC000013383686 HC Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](C=C[C@@]3(C)O)[C@@](O)(CCl)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 ZINC000013386678 HC Annotated Reactive in-vitro biogenic C=C1C[C@H](OC(=O)[C@@H](C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl ZINC000013386696 HC Annotated Reactive C=C1C[C@H](OC(=O)[C@@H](C)C(=O)O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl ZINC000013386704 HC Annotated Reactive C=C1C[C@H](OC(=O)/C(C)=C/CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl ZINC000013386711 HC Annotated Reactive C=C1C[C@H](OC(=O)/C(=C/C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl ZINC000013386723 HC Annotated Reactive COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@H]([C@H]5ON=C(C(=O)O)[C@H]45)[C@H]3C2=O)cc1OC ZINC000013395210 HC Annotated Anodyne COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@H]([C@H]5ON=C(C(N)=O)[C@H]45)[C@H]3C2=O)cc1OC ZINC000013395222 HC Annotated Anodyne CO[C@@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@@H]1O ZINC000013409674 HC Annotated Anodyne CO[C@@H](C(=O)[C@@H](O)[C@@H](C)O)[C@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@@H]1O ZINC000013409681 HC Annotated Anodyne O=C(O)CN1CCN(C(=O)N2CCC3(CCN(c4ccncc4)CC3)C2)CC1=O ZINC000013440553 HC Annotated Anodyne O=C(O)CN/N=c1\n(Cc2ccc(F)c(F)c2)c2ccccc2n1C(=O)C(=O)O ZINC000013470524 HC Annotated Anodyne N[C@@H](Cc1ccc(O)cc1)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000013478065 HC Annotated Anodyne N[C@H](Cc1ccc(O)cc1)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000013478067 HC Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCN[C@@H](C(N)=O)C3)c21 ZINC000013478393 HC Annotated Bother COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCN[C@H](C(N)=O)C3)c21 ZINC000013478395 HC Annotated Bother CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3cnc(CNC4CC4)cn3)[C@@H]12 ZINC000013490859 HC Annotated Anodyne CN(CCc1ccncc1)C(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1 ZINC000013524609 HC Annotated Anodyne Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)OC[C@H](O)[C@@H](O)CO ZINC000013541361 HC Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1N1C(=O)C(=O)c2ccccc21 ZINC000013551090 HC Annotated Anodyne CC(=O)O[C@H]1CO[C@H](N2C(=O)C(=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013551094 HC Annotated Anodyne O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1cccc(O)c1O)C(=O)O)c1cccc(O)c1O ZINC000013556368 HC Annotated Clean CON(C)C(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C ZINC000013557167 HC Annotated Anodyne CN(C)CCc1c(C(=O)NN)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12 ZINC000013557177 HC Annotated Reactive CC(=O)N[C@H](C(=O)N[C@@H](C)CCc1ccccc1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560208 HC Annotated Mild CC(=O)N[C@H](C(=O)N[C@H](C)CCc1ccccc1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560209 HC Annotated Mild CCN(Cc1ccccc1)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560232 HC Annotated Mild CCN(Cc1ccccc1)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560233 HC Annotated Mild CN1C(=O)N(c2ccc(C(=N)N)cc2)C(=O)C12CCN(C(=O)CCCC(=O)O)CC2 ZINC000013560398 HC Annotated Anodyne N=C(N)c1ccc(N2C(=O)NC3(CCN(C(=O)CCCC(=O)O)CC3)C2=O)cc1 ZINC000013560399 HC Annotated Anodyne N=C(N)c1ccc(N2C(=O)NC3(CCN(C(=O)NCCC(=O)O)CC3)C2=O)cc1 ZINC000013560404 HC Annotated Anodyne N=C(N)c1ccc(N2C(=O)CC3(CCN(C(=O)NCCC(=O)O)CC3)C2=O)cc1 ZINC000013560415 HC Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(=O)NO ZINC000013561014 HC Annotated Anodyne CC(C)[C@H](NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(=O)NO ZINC000013561015 HC Annotated Anodyne CC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)[C@@H]1Sc1nnnn1C ZINC000013601890 HC Annotated Reactive C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](Cn2nnc(-c3ccccc3)n2)[C@H](O)[C@@H]1O ZINC000013652260 HC Annotated Anodyne CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cn1cccn1)C(=O)NC)P(=O)(O)O ZINC000013733558 HC Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)CN1CCc2cc(Cl)c(N3CCNCC3)cc2C1=O ZINC000013760117 HC Annotated Mild C#C[C@H](CC(=O)O)NC(=O)CN1CCc2ccc(N3CCNCC3)c(Cl)c2C1=O ZINC000013760118 HC Annotated Mild CC(C)OC(=O)N[C@@H](CNC(=O)C[C@@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O ZINC000013763341 HC Annotated Anodyne CC(C)OC(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O ZINC000013763344 HC Annotated Anodyne O=c1c2ccccc2oc2cc(O)c([C@@H]3COC[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)c12 ZINC000013813138 HC Annotated Bother O=c1c2ccccc2oc2cc(O)c([C@@H]3COC[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)c12 ZINC000013813142 HC Annotated Bother O=c1c2ccccc2oc2cc(O)c([C@H]3COC[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)c12 ZINC000013813144 HC Annotated Bother O=c1c2ccccc2oc2cc(O)c([C@H]3COC[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)c12 ZINC000013813147 HC Annotated Bother COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(C(CO)CO)C=C2C1=O ZINC000013817264 HC Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(C(CO)CO)C=C2C1=O ZINC000013817267 HC Annotated Mild O=P(O)(O)OC[C@@H]1CC[C@@H](COP(=O)(O)O)[C@H](COP(=O)(O)O)C1 ZINC000013833367 HC Annotated Anodyne CCCCCSC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000013887239 HC Annotated Anodyne C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@@H]12 ZINC000136354181 HC Annotated Anodyne C[C@@]12C=CC[C@]3(C)C4=CC(=O)O[C@H]([C@@](C)(O)CS(C)(=O)=O)[C@]45O[C@@H]5[C@@H](OC1=O)[C@@H]23 ZINC000136557101 HC Annotated Anodyne C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000136574388 HC Annotated Mild CC(=O)OCCN(C1=NCCN1)/[N+](C=c1ccc(=C=N)cc1)=C/c1ccc(C#N)cc1 ZINC000136820397 HC Annotated Mild C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccccc1)O[C@@H]1C[C@@H](C(=O)O)C[C@H](O)[C@]1(O)C2=O ZINC000136966551 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12[C@@H](O)O[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000136974439 HC Annotated Mild CC(=O)O[C@@H]1[C@H](C)C(=O)[C@@]23C[C@H](C)[C@H](O)[C@]2(/C=C(\C)[C@@H](O)[C@H](O)[C@H]2[C@@H]1C2(C)C)O3 ZINC000137281362 HC Annotated Anodyne C=C(CO)C(=O)O[C@H]1C[C@@](C)(O)C2=CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000137286069 HC Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137289388 HC Annotated Mild CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137295644 HC Annotated Reactive C=C1C(=O)[C@@]23C(=O)[C@@H](O)[C@@H]4C(C)(C)CCC[C@@]4(C=O)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3O ZINC000138108931 HC Annotated Mild C[S@@](=O)C[C@](C)(O)[C@H]1OC(=O)C=C2[C@@]3(C)CCC[C@]4(C)C(=O)O[C@@H]([C@@H]43)[C@H]3O[C@@]231 ZINC000138309823 HC Annotated Anodyne CC(=O)NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 ZINC000138413881 HC Annotated Anodyne C=C(C)[C@@H]1C[C@]2(O)O[C@@]3(C=C2CO)[C@H]1C=C(C(=O)OCC)[C@@H]1[C@H](O)C[C@@](C)(O)[C@@H]13 ZINC000138715072 HC Annotated Mild Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1S(=O)(=O)N(C)C ZINC000139287284 HC Annotated Anodyne COC[C@@]1(O)[C@@H](O)CC[C@@H]2[C@]3(C[C@H](O)c4ccoc4)C(=O)OC[C@@]21[C@H](O)C[C@H]3C ZINC000139293158 HC Annotated Anodyne CC1(C)[C@@H]2CC[C@]3(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@](C)(O)[C@H]3[C@@H]21 ZINC000139433856 HC Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CNC4CC4)nc3)[C@@H]21 ZINC000139841093 HC Annotated Anodyne COc1cc(O)c2c(O)c3c(cc2c1)C[C@]1(O)CC(O)=C(C(C)=O)C(=O)[C@]1(O)C3=O ZINC000014293954 HC Annotated Mild in-vitro COc1cc(O)c2c(O)c3c(cc2c1)C[C@@]1(O)CC(O)=C(C(C)=O)C(=O)[C@]1(O)C3=O ZINC000014293956 HC Annotated Mild in-vitro COc1cc(O)c2c(O)c3c(cc2c1)C[C@@]1(O)CC(O)=C(C(C)=O)C(=O)[C@@]1(O)C3=O ZINC000014293958 HC Annotated Mild in-vitro Cc1c(O[C@@H]2O[C@@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)occc1=O ZINC000014491516 HC Annotated Anodyne in-man Cc1c(O[C@H]2O[C@@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)occc1=O ZINC000014491518 HC Annotated Anodyne in-man Cc1c(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)occc1=O ZINC000014491520 HC Annotated Anodyne in-man Cc1c(O[C@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)occc1=O ZINC000014491522 HC Annotated Anodyne in-man C[C@@H]1O[C@H](C)CN2c3c(cc4c(N)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000140283499 HC Annotated Anodyne C[C@H](O)c1cccc2nc3c(C(=O)O[C@@H]4[C@@H](O)[C@H](C)O[C@H](O)[C@H]4O)cccc3nc12 ZINC000140764646 HC Annotated Bother C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(COC(C)=O)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000140956926 HC Annotated Mild CC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1=O ZINC000141035527 HC Annotated Mild N#[N+]C(=c1ccc(=C(O)OCc2cnc3[nH]c(N)nc(=O)c3n2)cc1)C(F)(F)F ZINC000141414226 HC Annotated Anodyne CC(C)(O)[C@H]1CC[C@]2(C)CCC[C@](C)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2C1 ZINC000141764484 HC Annotated Anodyne CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 ZINC000141938844 HC Annotated Anodyne COc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31 ZINC000142384369 HC Annotated Anodyne CC(C)=C1CC[C@]2(C)[C@@H](O)CC[C@](C)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2C1 ZINC000142505238 HC Annotated Anodyne CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C[C@H](C)[C@H]2CC1=O ZINC000142632488 HC Annotated Mild C[C@@H]1O[C@H](C)CN2c3c(cc4c(C#N)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000142955134 HC Annotated Anodyne CS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@H]2C1)S(C)(=O)=O ZINC000144301196 HC Annotated Anodyne in-vitro C=C[C@@](C)(O)C/C=C/[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1 ZINC000144303950 HC Annotated Mild Cn1cnc2cc(-c3cccc(S(=O)(=O)NCCO)c3)nc(NC3CC3)c2c1=O ZINC000144797554 HC Annotated Anodyne NC(N)=Nc1cccc(N2C[C@@H](C(=O)N[C@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000144961682 HC Annotated Mild COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@]1(O)C(=O)OC[C@]1(O)C2 ZINC000014660178 HC Annotated Clean C=C1C(=O)[C@@]23[C@@H](O)C[C@H]4[C@@]5(CCC[C@@]4(C)CO[C@@H]5O)[C@H]2[C@H](OC(C)=O)C[C@@H]1[C@H]3O ZINC000014685232 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)C[C@H]4[C@@]5(CCC[C@@]4(C)CO[C@@H]5O)[C@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3O ZINC000014685233 HC Annotated Mild C[C@H](O)CC(=O)O[C@@H]1C=C[C@@]23c4cc5c(cc4CO[C@]2(O)CN(C)[C@H]3C1)OCO5 ZINC000014721282 HC Annotated Anodyne C[C@@H]1O[C@H](Oc2cc(O)c3c(c2)O/C(=C\c2ccc(O)cc2)C3=O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014775507 HC Annotated Mild O=C(/C=C/c1ccc(O)cc1)c1ccc(O)c([C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1O ZINC000014809721 HC Annotated Mild O=C(/C=C/c1ccc(O)cc1)c1ccc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1O ZINC000014809723 HC Annotated Mild Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3OC[C@](O)(CO)[C@@H]3O)cc(O)c1C2=O ZINC000014814260 HC Annotated Clean in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)c1C2=O ZINC000014814262 HC Annotated Clean in-man Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)c1C2=O ZINC000014814264 HC Annotated Clean in-man Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)c1C2=O ZINC000014814266 HC Annotated Clean in-man Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)c1C2=O ZINC000014814268 HC Annotated Clean in-man COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c1C2=O ZINC000014814351 HC Annotated Clean COc1cc(O)c2c(O)c3c(cc2c1)C[C@]1(O)CC(O)=C(C(C)=O)C(=O)[C@@]1(O)C3=O ZINC000014853093 HC Annotated Mild in-vitro COc1cc(C[C@@]2(O)C[C@@H](O)CC(=O)[C@@]2(O)CC(=O)c2ccccc2)oc(=O)c1 ZINC000014884333 HC Annotated Anodyne CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H]1CCCN1)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014885464 HC Annotated Anodyne CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H]1CCCN1)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014885467 HC Annotated Anodyne CC(C)C[C@@H](NC(=O)[C@H](O)[C@@H](O)[C@@H]1CCCN1)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014885469 HC Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](O)[C@@H]1CCCN1)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014885472 HC Annotated Anodyne NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(C/C=C/CN1CCOCC1)C=C2 ZINC000014947981 HC Annotated Anodyne CC(C)N1C(CN2CCOCC2)=Cc2cc(S(N)(=O)=O)sc2S1(=O)=O ZINC000014947997 HC Annotated Anodyne C=CCN1C(CN2CCOCC2)=Cc2cc(S(N)(=O)=O)sc2S1(=O)=O ZINC000014948003 HC Annotated Mild NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(CC1CC1)C(CN1CCOCC1)=C2 ZINC000014948006 HC Annotated Anodyne CS(=O)(=O)NCCN([C@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O ZINC000014953689 HC Annotated Anodyne in-vitro CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](CC(=O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000146568625 HC Annotated Anodyne C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000146808404 HC Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C)[C@H]21 ZINC000146818033 HC Annotated Mild CCC(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)CC ZINC000147004735 HC Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C(C)(C)O)cnc2Nc2cncnc2)cnn1C ZINC000148686112 HC Annotated Anodyne CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NOC)c1=O ZINC000149043930 HC Annotated Anodyne Cn1c([C@@H]2CCOC2)nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O ZINC000149053660 HC Annotated Anodyne Cn1c([C@H]2CCOC2)nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O ZINC000149053909 HC Annotated Anodyne CCc1ncnc(N2CCN(CCN3CCOCC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149391095 HC Annotated Mild CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1N1CCCC1 ZINC000001501210 HC Annotated Reactive O=C1c2ccncc2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23 ZINC000001538983 HC Annotated Clean COc1cc(C=O)cc2c1[C@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O ZINC000001544505 HC Annotated Anodyne CO[C@H]1N([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)I ZINC000001630116 HC Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](N2C(=O)C(=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000001631738 HC Annotated Anodyne Cc1cn([C@H](CO)O[C@H](CO)CN(O)C2C3CC4CC(C3)CC2C4)c(=O)[nH]c1=O ZINC000001635326 HC Annotated Anodyne CSC1=NC(=O)CCN1[C@H]1OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000001636705 HC Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@@H](OC(C)=O)[C@H]3OC(C)=O)C1=O ZINC000001650568 HC Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C1=O ZINC000001650569 HC Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@H](OC(C)=O)[C@H]3OC(C)=O)C1=O ZINC000001650570 HC Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@H](OC(C)=O)[C@@H]3OC(C)=O)C1=O ZINC000001650571 HC Annotated Mild CCOC(=O)C1(C(=O)OCC)C[C@]23OCCC(=O)[C@H]2[C@H]2C(=O)OC(C)(C)O[C@]23C1 ZINC000001653590 HC Annotated Anodyne CN1CCN(c2ccc3nc(C4=C(O)C(=O)c5c(nc(CO)n5C)C4=O)[nH]c3n2)CC1 ZINC000001656732 HC Annotated Mild COC(=O)[C@@]12CO[C@@H](O)[C@@]3([C@@H](C)O)[C@@H]1CC(=O)c1[nH]c4ccccc4c1C[C@@H]2N3C ZINC000015043104 HC Annotated Anodyne C[C@H]1O[C@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015060491 HC Annotated Clean C=C[C@@](C)(CCC=C(C)C)O[C@@H]1O[C@@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015120431 HC Annotated Mild in-man C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015120432 HC Annotated Mild in-man C=C[C@@](C)(CCC=C(C)C)O[C@H]1O[C@@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015120433 HC Annotated Mild in-man C=C[C@](C)(CCC=C(C)C)O[C@H]1O[C@@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015120434 HC Annotated Mild in-man CC(C)=CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 ZINC000015149056 HC Annotated Bother C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@@H]1[C@H](O)[C@]3(O)OC2 ZINC000015196345 HC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@@H]1[C@H](O)[C@]3(O)OC2 ZINC000015196347 HC Annotated Mild COc1cc2c(c(O)c1CSC[C@@H](NC(C)=O)C(=O)O)C(=O)C(CO)=CC2=O ZINC000015215945 HC Annotated Mild CC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@@](C)(O)[C@@H]4C[C@@H](O)C(C)(C)[C@@]4(O)[C@@H](O)C[C@@]31C[C@@]2(C)O ZINC000015263627 HC Annotated Anodyne CC(=O)O[C@H]1[C@@H]2CC[C@@H]3[C@@](C)(O)[C@@H]4C[C@@H](O)C(C)(C)[C@@]4(O)[C@@H](O)C[C@]13C[C@@]2(C)O ZINC000015263629 HC Annotated Anodyne CCCCCCC1=Cc2c/c(=C(/N)NNC(=O)c3ccncc3)c(=O)oc2=CC1=O ZINC000015884986 HC Annotated Reactive Nc1c(/C=C2/C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCOCC3)nn12 ZINC000015924848 HC Annotated Mild Cc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C)C(=O)N(Cc4ccccn4)CC(=O)N23)o1 ZINC000015941159 HC Annotated Anodyne CCOC1=C/C(=C/c2c(N)n3nc(S(=O)(=O)CC)sc3nc2=O)C=CC1=O ZINC000015953286 HC Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)OC)C(C)(C)O)[C@@H]12 ZINC000015955442 HC Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)OC)C(C)(C)O)[C@@H]12 ZINC000015955443 HC Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)OC)C(C)(C)O)[C@@H]12 ZINC000015955445 HC Annotated Anodyne C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@]1(O)CO[C@@](CO)(OC)C[C@H]21 ZINC000156700034 HC Annotated Mild CC(=O)OC[C@@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000169290132 HC Annotated Reactive CC(=O)OC[C@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000169290133 HC Annotated Reactive CNC(=O)[C@@H]1[C@@H]2C=C[C@]3(O2)[C@@H](C(=O)NCc2ccc(OC)cc2)N(C2CC2)C(=O)[C@H]13 ZINC000169293265 HC Annotated Anodyne CNC(=O)[C@H]1[C@@H]2C=C[C@]3(O2)[C@@H](C(=O)NCc2ccc(OC)cc2)N(C2CC2)C(=O)[C@H]13 ZINC000169293266 HC Annotated Anodyne CNC(=O)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NCc2ccc(OC)cc2)N(C2CC2)C(=O)[C@H]13 ZINC000169293268 HC Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)OC)C(C)(C)O)[C@@H]12 ZINC000169293270 HC Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)OC)C(C)(C)O)[C@@H]12 ZINC000169293271 HC Annotated Anodyne CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@H]1CCCO1)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000169293441 HC Annotated Anodyne CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@H]1CCCO1)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000169293443 HC Annotated Anodyne O=c1c2ccccc2oc2cc(O)c([C@@H]3COC[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c12 ZINC000169298871 HC Annotated Bother O=c1c2ccccc2oc2cc(O)c([C@H]3COC[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c12 ZINC000169298872 HC Annotated Bother O=c1c2ccccc2oc2cc(O)c([C@@H]3COC[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c12 ZINC000169298873 HC Annotated Bother O=c1c2ccccc2oc2cc(O)c([C@H]3COC[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c12 ZINC000169298874 HC Annotated Bother C=CCN1C(=O)[C@@H]2[C@@H](C(=O)NC)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NCc1ccc(OC)cc1 ZINC000169300329 HC Annotated Mild C=CCN1C(=O)[C@H]2[C@@H](C(=O)NC)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NCc1ccc(OC)cc1 ZINC000169300330 HC Annotated Mild C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NCc1ccc(OC)cc1 ZINC000169300331 HC Annotated Mild CN1CC(=O)N(Cc2cc3cnc(C(=O)N[C@H](C#N)CCCCN)nc3n2C)C1=O ZINC000169306934 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCc4ccco4)C3=O)N1C[C@H]1N[C@H]12 ZINC000169309126 HC Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCc3ccco3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169309128 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCc4ccco4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169309132 HC Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCc3ccco3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169309134 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CCC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000169310832 HC Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCC3CCC3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169310835 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CCC4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169310837 HC Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCC3CCC3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169310838 HC Annotated Mild CC(C)(C)OC(=O)C[C@H]1C/C=C/C[C@@H](CC(=O)NCCO)C(=O)NCCOC1=O ZINC000169314361 HC Annotated Anodyne C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@@H]12 ZINC000169314467 HC Annotated Anodyne C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@@H]12 ZINC000169314470 HC Annotated Anodyne C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@@H]12 ZINC000169314473 HC Annotated Anodyne CSC1=C(SC)C(=O)C2=C(C[C@H]3[C@H]4[C@H](C(=O)O)C[C@@H]([C@@H]5OC[C@@H]2N53)N4C)C1=O ZINC000169314897 HC Annotated Mild CCOC(=O)C(=O)Nc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)OCC)c1Cl ZINC000169316045 HC Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCN(CCO)CC3)[C@@H]1O2 ZINC000169316348 HC Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CNC4CC4)nc3)[C@H]12 ZINC000169317293 HC Annotated Anodyne CCN[C@H]1CN(c2nc(N3CCCCC3)nc(N3CCO[C@@H](NCC)C3)n2)CCO1 ZINC000169318311 HC Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@@H](NC(C)=O)[C@H]3OC(C)=O)C1=O ZINC000169318404 HC Annotated Mild CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1[C@@H]2[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(C(=O)OCC)C(=O)[C@@H]21 ZINC000169318506 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4[C@H]3[C@@H]3C(=O)N(C(=O)OCC)C(=O)[C@@H]34)[C@H]2C1=O ZINC000169318508 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4[C@@H]5C(=O)N(C(=O)OCC)C(=O)[C@@H]5[C@@H]34)[C@H]2C1=O ZINC000169318509 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4[C@H]3[C@H]3C(=O)N(C(=O)OCC)C(=O)[C@H]43)[C@H]2C1=O ZINC000169318511 HC Annotated Anodyne CN(CCBr)[P@@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O ZINC000169319573 HC Annotated Reactive CN(CCBr)[P@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O ZINC000169319574 HC Annotated Reactive CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1[C@H]1C(=O)N(C(=O)OCC)C(=O)[C@@H]21 ZINC000169319580 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3CC[C@@H]([C@H]4[C@H]3[C@@H]3C(=O)N(C(=O)OCC)C(=O)[C@@H]34)[C@H]2C1=O ZINC000169319583 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]4[C@@H]5C(=O)N(C(=O)OCC)C(=O)[C@@H]5[C@@H]34)[C@H]2C1=O ZINC000169319586 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3CC[C@@H]([C@H]4[C@H]3[C@H]3C(=O)N(C(=O)OCC)C(=O)[C@H]43)[C@H]2C1=O ZINC000169319588 HC Annotated Anodyne CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NC(=O)C(=O)C(=O)O)c2)C(=O)OC1=O ZINC000169320127 HC Annotated Reactive NCCCCCCC(=O)NCCCCCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000169321648 HC Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(Nc3ccccc3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169322115 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(Nc4ccccc4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169322117 HC Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(Nc3ccccc3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169322119 HC Annotated Mild CC1(C)N=C(c2ccccc2)C(=O)N1[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)[S@@](=O)[C@H]12 ZINC000169323041 HC Annotated Anodyne CC1(C)N[C@H](c2ccccc2)C(=O)N1[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)[S@@](=O)[C@H]12 ZINC000169323043 HC Annotated Anodyne CC1(C)N[C@@H](c2ccccc2)C(=O)N1[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)[S@@](=O)[C@H]12 ZINC000169323044 HC Annotated Anodyne CC1(C)N[C@H](c2ccccc2)C(=O)N1[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)[S@](=O)[C@H]12 ZINC000169323046 HC Annotated Anodyne CC1(C)N[C@@H](c2ccccc2)C(=O)N1[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)[S@](=O)[C@H]12 ZINC000169323047 HC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@@H]2[C@@H]1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000169325917 HC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@H]2[C@@H]1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000169325920 HC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@@H]2[C@H]1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000169325923 HC Annotated Anodyne CNC(=O)C1=C(O)c2cc(N)c(N3CCN(C)CC3)cc2N(C2CC2)S1(=O)=O ZINC000169327262 HC Annotated Clean Cc1ccc(NC(=O)CN(C)C[C@@H](O)Cn2c(=O)c3ccccc3n(C)c2=O)cc1 ZINC000169328049 HC Annotated Anodyne Cc1ccc(NC(=O)CN(C)C[C@H](O)Cn2c(=O)c3ccccc3n(C)c2=O)cc1 ZINC000169328050 HC Annotated Anodyne CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000169331869 HC Annotated Reactive CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000169331870 HC Annotated Reactive CN(CC(=O)N(C)c1ccccc1)C[C@@H](O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000169331964 HC Annotated Anodyne CN(CC(=O)N(C)c1ccccc1)C[C@H](O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000169331966 HC Annotated Anodyne CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000169331988 HC Annotated Reactive CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000169331990 HC Annotated Reactive COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)O)C[C@@H]3O ZINC000169332762 HC Annotated Clean N=c1ccn2c(n1)O[C@@H]1[C@H](OC(=O)CCCl)[C@@H](COC(=O)CCCl)O[C@H]12 ZINC000169335399 HC Annotated Reactive O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2S(=O)(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000169339159 HC Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2S(=O)(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000169339160 HC Annotated Anodyne CC[C@@H](C(=O)NO)[C@@H](CO)Cc1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339292 HC Annotated Mild CC[C@H](C(=O)NO)[C@@H](CO)Cc1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339294 HC Annotated Mild CC[C@@H](C(=O)NO)[C@H](CO)Cc1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339295 HC Annotated Mild CC[C@H](C(=O)NO)[C@H](CO)Cc1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339297 HC Annotated Mild CC[C@@H](C(=O)NO)[C@@H](CO)Cc1c[n+](C/C(=N\O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339339 HC Annotated Mild CC[C@H](C(=O)NO)[C@@H](CO)Cc1c[n+](C/C(=N\O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339341 HC Annotated Mild CC[C@@H](C(=O)NO)[C@H](CO)Cc1c[n+](C/C(=N\O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339344 HC Annotated Mild CC[C@H](C(=O)NO)[C@H](CO)Cc1c[n+](C/C(=N\O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339345 HC Annotated Mild CC(C)(C)OC(=O)C[C@@H]1C/C=C/C[C@@H](CC(=O)NCCO)C(=O)NCCOC1=O ZINC000169339991 HC Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169340878 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169340880 HC Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169340881 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000169340884 HC Annotated Anodyne COC(=O)CS(=O)(=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169345084 HC Annotated Anodyne CO/N=C1\CN(c2nc3c(cc2F)C(=O)[C@H](C(=O)O)CN3C2CC2)CC12CNC2 ZINC000169345657 HC Annotated Mild COC(=O)[C@@](O)(C[C@@H](O)C(=O)O)[C@@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1 ZINC000169347504 HC Annotated Anodyne COC(=O)[C@H](O)C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1 ZINC000169347509 HC Annotated Anodyne COC(=O)[C@H](O)C[C@](O)(C(=O)OC)[C@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1 ZINC000169347511 HC Annotated Anodyne CC[C@@H](C)N(C(=O)[C@@H](N)CC(=O)OC)C1(C(=O)NCc2ccccc2)CCNCC1 ZINC000169348477 HC Annotated Anodyne CC[C@H](C)N(C(=O)[C@@H](N)CC(=O)OC)C1(C(=O)NCc2ccccc2)CCNCC1 ZINC000169348478 HC Annotated Anodyne CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169354418 HC Annotated Reactive CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169354419 HC Annotated Reactive CC(C)CO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169354452 HC Annotated Mild CC(C)CO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169354453 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@@H]1[C@@H](O)[C@@]3(O)OC2 ZINC000169354942 HC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@@H]1[C@@H](O)[C@@]3(O)OC2 ZINC000169354943 HC Annotated Mild C=C1C(=O)[C@@]23[C@H](O)[C@@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@@H]1[C@@H](O)[C@@]3(O)OC2 ZINC000169354944 HC Annotated Mild C=C1C(=O)[C@]23[C@H](O)[C@@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@@H]1[C@@H](O)[C@@]3(O)OC2 ZINC000169354946 HC Annotated Mild CO[C@@H]1C[C@]23[C@@H]4C[C@@H](C(C)(C)C)[C@@]25[C@@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000169355106 HC Annotated Anodyne CO[C@H]1C[C@]23[C@@H]4C[C@@H](C(C)(C)C)[C@@]25[C@@H](OC(=O)[C@@H]5OC(C)=O)O[C@]3(C(=O)O4)C(=O)O1 ZINC000169355107 HC Annotated Anodyne CO[C@@H]1C[C@]23[C@H]4C[C@@H](C(C)(C)C)[C@@]25[C@@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000169355108 HC Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000169355389 HC Annotated Mild COC(=O)C/C=C/[C@@H](C)[C@@H](/C=N\OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000169355390 HC Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N/OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000169355391 HC Annotated Mild COC(=O)C/C=C/[C@@H](C)[C@@H](/C=N/OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000169355392 HC Annotated Mild CC(=O)O[C@@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000169366880 HC Annotated Reactive CC(=O)O[C@H]1[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)O[C@@H](C)[C@H]1OC(C)=O ZINC000169366881 HC Annotated Reactive CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000169366882 HC Annotated Reactive CC(=O)O[C@H]1[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)O[C@H](C)[C@H]1OC(C)=O ZINC000169366883 HC Annotated Reactive CO[C@@H](C(=O)[C@@H](O)[C@H](C)O)[C@@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@@H]1O ZINC000169367034 HC Annotated Anodyne CO[C@H](C(=O)[C@@H](O)[C@H](C)O)[C@@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@@H]1O ZINC000169367035 HC Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCCCCl)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169369441 HC Annotated Reactive CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169369442 HC Annotated Reactive CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCCCCl)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169369443 HC Annotated Reactive C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)C[C@@H](O)CO)CC(=O)O1 ZINC000169371496 HC Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)C[C@@H](O)CO)CC(=O)O1 ZINC000169371497 HC Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C=C(C(C)=O)C(C)=O)OC(C)=O ZINC000169371549 HC Annotated Mild CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C=C(C(C)=O)C(C)=O)OC(C)=O ZINC000169371550 HC Annotated Mild C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)C[C@@H](N)C(=O)O)CC(=O)O1 ZINC000169371985 HC Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)C[C@@H](N)C(=O)O)CC(=O)O1 ZINC000169371986 HC Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)[C@H](O)C[C@]3(COC(C)=O)[C@]1(C)[C@@]21CO1 ZINC000169373047 HC Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3C=C(C)[C@H](O)C[C@]3(COC(C)=O)[C@]1(C)[C@@]21CO1 ZINC000169373048 HC Annotated Mild CC(=O)N1CCN([C@]23O[C@@]4(N5CCN(C(C)=O)CC5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)CC1 ZINC000169574898 HC Annotated Anodyne CC(=O)N1CCN([C@@]23O[C@@]4(N5CCN(C(C)=O)CC5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)CC1 ZINC000169574910 HC Annotated Anodyne CC(=O)N1CCN([C@]23O[C@]4(N5CCN(C(C)=O)CC5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)CC1 ZINC000169574917 HC Annotated Anodyne CC(=O)N1CCN([C@]23O[C@@]4(N5CCN(C(C)=O)CC5)[C@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CC1 ZINC000169574924 HC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OO2 ZINC000169640192 HC Annotated Reactive C=C(C)[C@H](CC(=O)OC)C1=C[C@@H]2C(=O)O[C@@H]3C[C@](C)(O)[C@@H]([C@H]23)[C@]12OC(=O)C[C@@H]2O ZINC000169660770 HC Annotated Mild CC1=CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 ZINC000169662222 HC Annotated Anodyne C=c1[nH]/c(=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)c(O)c1C(=O)OCC ZINC000169687553 HC Annotated Anodyne C=c1[nH]/c(=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)c(O)c1C(=O)OCC ZINC000169687554 HC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@H]3C1=O ZINC000169687650 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@H]3C1=O ZINC000169687651 HC Annotated Anodyne Nc1nnc(CC(=O)N/N=C/[c-]2cc([N+](=O)[O-])cc(Br)c2=O)s1 ZINC000169689109 HC Annotated Reactive CCOC(=O)[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(CC(N)=O)c1ccccc12 ZINC000169689380 HC Annotated Mild CCOC(=O)[C@H]1C(=N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(CC(N)=O)c1ccccc12 ZINC000169689381 HC Annotated Mild COc1ccc(OC)c(-n2c(O)c(/C=N/CCN3CCNCC3)c(=O)[nH]c2=S)c1 ZINC000169691882 HC Annotated Mild CNS(=O)(=O)c1ccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000169691884 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@@H](O)[C@]3(O)OC2 ZINC000169692288 HC Annotated Mild C=C1C(=O)[C@@]23[C@H](O)[C@@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@@H](O)[C@]3(O)OC2 ZINC000169692290 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@@H](O)[C@]3(O)OC2 ZINC000169692292 HC Annotated Mild C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@@H](O)[C@]3(O)OC2 ZINC000169692294 HC Annotated Mild COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(C)(=O)=O ZINC000169697519 HC Annotated Mild CNC(=O)c1c(NC(=O)c2nc([C@@H]3CCOC3)cnc2Nc2cncnc2)cnn1C ZINC000169701780 HC Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc([C@H]3CCOC3)cnc2Nc2cncnc2)cnn1C ZINC000169701781 HC Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(N3CCCC3)cnc2Nc2cncnc2)cnn1C ZINC000169701899 HC Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(N3CCC3)cnc2Nc2cncnc2)cnn1C ZINC000169701914 HC Annotated Anodyne CCN(C)c1cnc(Nc2cncnc2)c(C(=O)Nc2cnn(C)c2C(=O)NC)n1 ZINC000169701921 HC Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C(C)(C)O)ncc2Nc2cncnc2)cnn1C ZINC000169701949 HC Annotated Anodyne N#Cc1nc(C(=O)NCCOCC(=O)O)c(O)c2ccn(Cc3ccccc3)c(=O)c12 ZINC000169710949 HC Annotated Mild COc1ccc(Cn2ccc3c(O)c(C(=O)NCC(=O)O)ncc3c2=O)c(OC)c1 ZINC000169710952 HC Annotated Anodyne COc1ccc(CN2CCc3c(cnc(C(=O)NCC(=O)O)c3O)C2=O)c(OC)c1 ZINC000169710955 HC Annotated Anodyne NS(=O)(=O)CCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710975 HC Annotated Anodyne CC(=O)NCCNC(=O)c1nc(C#N)c2ccc(=O)n(Cc3ccccc3)c2c1O ZINC000169710979 HC Annotated Mild CS(=O)(=O)NCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710985 HC Annotated Anodyne CS(=O)(=O)NCCNC(=O)c1ncc2ccc(=O)n(Cc3ccccc3)c2c1O ZINC000169710995 HC Annotated Anodyne C=c1[nH]/c(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)c(O)c1C(=O)OC ZINC000169718711 HC Annotated Anodyne CCC(=O)[C@@H]1C(=O)[C@@H](C[C@@H]2C(=O)[C@@H](C(C)=O)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719662 HC Annotated Anodyne CCC(=O)[C@H]1C(=O)[C@@H](C[C@@H]2C(=O)[C@@H](C(C)=O)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719663 HC Annotated Anodyne CCC(=O)[C@@H]1C(=O)[C@H](C[C@@H]2C(=O)[C@@H](C(C)=O)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719664 HC Annotated Anodyne CCC(=O)[C@H]1C(=O)[C@H](C[C@@H]2C(=O)[C@@H](C(C)=O)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O ZINC000169719665 HC Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2C[C@@H](NC(=O)CCCCCN/C(N)=N/[N+](=O)[O-])CN2)c1 ZINC000169727373 HC Annotated Mild CC(=O)O[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017062085 HC Annotated Reactive CC(=O)O[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017062086 HC Annotated Reactive CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000017123291 HC Annotated Reactive CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000017123299 HC Annotated Reactive CCOC(=O)CN[C@@H]1[C@@H](NC(C)=O)[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 ZINC000017193709 HC Annotated Anodyne CCOC(=O)CN[C@H]1[C@@H](NC(C)=O)[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]12 ZINC000017193712 HC Annotated Anodyne CCOC(=O)CN[C@@H]1[C@H](NC(C)=O)[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 ZINC000017193714 HC Annotated Anodyne CCOC(=O)CN[C@H]1[C@H](NC(C)=O)[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]12 ZINC000017193716 HC Annotated Anodyne CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017212061 HC Annotated Reactive CO[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017212064 HC Annotated Reactive CO[C@H]1O[C@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017212067 HC Annotated Reactive CO[C@@H]1N([C@@H]2C[C@@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)I ZINC000017214483 HC Annotated Anodyne CO[C@@H]1N([C@H]2C[C@@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)I ZINC000017214488 HC Annotated Anodyne CSC1=NC(=O)CCN1[C@@H]1OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017222601 HC Annotated Anodyne CSC1=NC(=O)CCN1[C@@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017222604 HC Annotated Anodyne CSC1=NC(=O)CCN1[C@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017222607 HC Annotated Anodyne COc1ccc(-c2c(C#N)c(N)n([C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c(=S)c2C#N)cc1 ZINC000017260911 HC Annotated Mild COc1ccc(-c2c(C#N)c(N)n([C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c(=S)c2C#N)cc1 ZINC000017260915 HC Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)OC)C(C)(C)O)[C@@H]12 ZINC000017287751 HC Annotated Anodyne COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@](O)(C(=O)O)[C@H](CO)[C@@H]2O ZINC000017327723 HC Annotated Clean COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@](O)(C(=O)O)[C@H](CO)[C@H]2O ZINC000017327725 HC Annotated Clean COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@](O)(C(=O)O)[C@@H](CO)[C@@H]2O ZINC000017327727 HC Annotated Clean COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@](O)(C(=O)O)[C@@H](CO)[C@H]2O ZINC000017327729 HC Annotated Clean NNC(=O)C(=O)N/N=C1\CCC(=O)C[C@H]1C(=O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000018067171 HC Annotated Reactive NNC(=O)C(=O)N/N=C1\CCC(=O)C[C@@H]1C(=O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000018067175 HC Annotated Reactive CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000018156756 HC Annotated Reactive N#CCC(=O)N/N=C(/C(=O)Nc1ccccc1)[C@H]1C(=O)N(c2ccccc2)N=C1N ZINC000018252160 HC Annotated Reactive O=C1NC(=O)[C@H]2[C@@H]1[C@@H](c1ccccc1)N1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](c3ccccc3)N21 ZINC000019171744 HC Annotated Anodyne Cc1cc(C)c2c(=O)n(C[C@H](O)CN3CCN(CCOCCO)CC3)sc2n1 ZINC000019365764 HC Annotated Anodyne CCO[P@](=O)(O)CN1CCNCCN(C[P@@](=O)(O)OCC)CCNCC1 ZINC000019368084 HC Annotated Anodyne CCS(=O)(=O)c1ncc(CN2CCCN(c3ncccn3)CC2)n1CCOC ZINC000019791364 HC Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000195036091 HC Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000195036106 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(C(=O)OCC)C(=O)[C@@H]2[C@H]31 ZINC000195119159 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(C(=O)OCC)C(=O)[C@@H]2[C@H]31 ZINC000195119175 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(C(=O)OCC)C(=O)[C@@H]3[C@H]12 ZINC000195119189 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(C(=O)OCC)C(=O)[C@@H]2[C@H]31 ZINC000195127239 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@H]3CC[C@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(C(=O)OCC)C(=O)[C@@H]2[C@H]31 ZINC000195127260 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1CC[C@H]2[C@H]2[C@H]3C(=O)N(C(=O)OCC)C(=O)[C@@H]3[C@H]12 ZINC000195127274 HC Annotated Anodyne CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCC[C@@H](C)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000195296291 HC Annotated Mild COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@H]5ON=C(C(N)=O)[C@H]45)[C@H]3C2=O)cc1OC ZINC000195341255 HC Annotated Anodyne COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@H]2ON=C(C(N)=O)[C@H]42)cc1OC ZINC000195341261 HC Annotated Anodyne CC(=O)NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000195374611 HC Annotated Anodyne CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000195378946 HC Annotated Anodyne COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@H]5ON=C(C(=O)O)[C@H]45)[C@H]3C2=O)cc1OC ZINC000195407545 HC Annotated Anodyne COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@H]2ON=C(C(=O)O)[C@H]42)cc1OC ZINC000195407550 HC Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1)N1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](c3ccccc3)N21 ZINC000195411989 HC Annotated Anodyne O=C1NC(=O)[C@H]2[C@H]1[C@@H](c1ccccc1)N1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H](c3ccccc3)N21 ZINC000195412000 HC Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000195418327 HC Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000195418333 HC Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1S(=O)(=O)N(C)C ZINC000195438797 HC Annotated Anodyne CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000195441454 HC Annotated Reactive CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000195441460 HC 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(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000195442235 HC 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(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000195442242 HC Annotated Mild CCCCNC(=O)OC[C@@H](O)Cn1cc(CN2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000195446511 HC Annotated Anodyne CCCCNC(=O)OC[C@H](O)Cn1cc(CN2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000195446518 HC Annotated Anodyne C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@]12CCC[C@](C)(COC(C)=O)[C@@H]1[C@H](O)[C@]3(O)OC2 ZINC000195454767 HC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@@H]1[C@H](O)[C@]3(O)OC2 ZINC000195454773 HC Annotated Mild COC(=O)C/C=C\[C@H](C)[C@H](/C=N\OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000195466701 HC Annotated Mild COC(=O)C/C=C\[C@H](C)[C@H](/C=N/OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000195466706 HC Annotated Mild COC(=O)C/C=C/[C@H](C)[C@H](/C=N\OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000195466712 HC Annotated Mild COC(=O)C/C=C/[C@H](C)[C@H](/C=N/OC[C@@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000195466714 HC Annotated Mild CC(=O)N1CCN([C@]23O[C@@]4(N5CCN(C(C)=O)CC5)[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]54)CC1 ZINC000195477966 HC Annotated Anodyne CC(=O)N1CCN([C@@]23O[C@]4(N5CCN(C(C)=O)CC5)[C@H]5[C@H]6C[C@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CC1 ZINC000195477970 HC Annotated Anodyne CC(=O)N1CCN([C@]23O[C@]4(N5CCN(C(C)=O)CC5)[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]54)CC1 ZINC000195477974 HC Annotated Anodyne CC(=O)N1CCN([C@@]23O[C@]4(N5CCN(C(C)=O)CC5)[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]54)CC1 ZINC000195477979 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@](C)(O)[C@@H]4C[C@@H](O)C(C)(C)[C@@]4(O)[C@@H](O)C[C@@]31C[C@@]2(C)O ZINC000195484086 HC Annotated Anodyne CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@@](C)(O)[C@@H]4C[C@@H](O)C(C)(C)[C@@]4(O)[C@@H](O)C[C@]13C[C@@]2(C)O ZINC000195484091 HC Annotated Anodyne CO[C@@H]1[C@H](C[N+](=O)NC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000195500281 HC Annotated Anodyne CO[C@H]1[C@@H](CN[N+](=O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000195500284 HC Annotated Anodyne CO[C@@H]1[C@H](CN[N+](=O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000195500287 HC Annotated Anodyne CO[C@H]1[C@H](CN[N+](=O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000195500290 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](O)C[C@H]4[C@@]5(CCC[C@@]4(C)CO[C@@H]5O)[C@H]2[C@H](OC(C)=O)C[C@H]1[C@H]3O ZINC000195517862 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)C[C@H]4[C@@]5(CCC[C@@]4(C)CO[C@@H]5O)[C@H]2[C@@H](OC(C)=O)C[C@H]1[C@H]3O ZINC000195517864 HC Annotated Mild C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@]1(O)CO[C@@](CO)(OC)C[C@@H]12 ZINC000196048726 HC Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC(=C)[C@@H]3C[C@H]12 ZINC000197187806 HC Annotated Mild Cc1c(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)occc1=O ZINC000197417983 HC Annotated Anodyne CC[C@@]1(CO)N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@H]3OC(C)=O ZINC000198772346 HC Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CC(F)(F)F ZINC000199237655 HC Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CC(F)(F)F ZINC000199237664 HC Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@H](N1CCN(CC(=O)N3CCCC3)CC1)C(=O)N2 ZINC000199242660 HC Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@@H](N1CCN(CC(=O)N3CCCC3)CC1)C(=O)N2 ZINC000199242674 HC Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCCN2CCOCC2)CC(C(=O)N(C)C)=C1C ZINC000199355570 HC Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCCN2CCOCC2)CC(C(=O)N(C)C)=C1C ZINC000199355586 HC Annotated Anodyne CN[C@]12CC3(C=C(OC)C(=O)C(OC)=C3)O[C@@]1(Cc1ccc(OC)cc1)NC(=O)N2 ZINC000199643874 HC Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]45CC[C@@H](O)C(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O ZINC000199895559 HC Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)OC)C(C)(C)O)[C@@H]12 ZINC000002039051 HC Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)OC)C(C)(C)O)[C@H]12 ZINC000002113685 HC Annotated Anodyne Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)n1 ZINC000002469186 HC Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)n1 ZINC000002469189 HC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000002469206 HC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000002469208 HC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCC(C)CC2)C1 ZINC000002469227 HC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCC(C)CC2)C1 ZINC000002469229 HC Annotated Anodyne O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NC[C@H]1COc2ccccc2O1 ZINC000002493615 HC Annotated Anodyne O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NC[C@@H]1COc2ccccc2O1 ZINC000002493617 HC Annotated Anodyne Cc1sc2ncn(CC(=O)NC(C)C)c(=O)c2c1S(=O)(=O)N1CCOCC1 ZINC000002494405 HC Annotated Anodyne O=C(NCCCN1CCOCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000020113458 HC Annotated Anodyne CN1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1 ZINC000020240236 HC Annotated Anodyne CN1CCN(c2cnn(CC(=O)Nc3cc(-c4ccccn4)nn3C)c(=O)c2)CC1 ZINC000020256516 HC Annotated Anodyne CCCN1CCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000020283942 HC Annotated Anodyne CCc1nn(CC(=O)NCCCN2CCN(C)CC2)c(=O)c2cc3occc3n12 ZINC000020416720 HC Annotated Anodyne CCc1nn(CC(=O)NCCCN2CCN(CC)CC2)c(=O)c2cc3occc3n12 ZINC000020416722 HC Annotated Anodyne CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1cc(Br)cnc1N ZINC000020484244 HC Annotated Anodyne COC(=O)C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2=O)[C@]2(O[C@@H](C)C[C@H](O)[C@@H]2O)O1 ZINC000200015667 HC Annotated Mild C[C@H]1C[C@H](O)[C@H](O)[C@@]2(O1)O[C@H]1CC(=O)O[C@H]1C1=C2C(=O)c2c(O)cccc2C1=O ZINC000200015702 HC Annotated Mild C[C@H]1C[C@H](O)[C@H](O)[C@@]2(O1)O[C@@H](CC(=O)O)CC1=C2C(=O)c2c(O)cccc2C1=O ZINC000200021405 HC Annotated Mild CC(=O)O[C@H]1C=C[C@H](OC(C)=O)[C@](O)(COC(=O)c2ccccc2)[C@@H]1OC(C)=O ZINC000200705369 HC Annotated Anodyne COCCNS(=O)(=O)c1ccc2c(c1)=C(NNc1ccccc1Cl)C(=O)N=2 ZINC000200775183 HC Annotated Anodyne CC(=O)N1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1 ZINC000201451047 HC Annotated Anodyne CC1=C2NC(N)=[N+](Cc3ccccc3)C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000201482440 HC Annotated Anodyne CC1=C2NC(N)=[N+](Cc3ccccc3)C[C@@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000201482478 HC Annotated Anodyne CC(/C=C/[C@@H]1C(C)(C)[C@H](O)CC[C@@]1(C)O)=C\[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O ZINC000202235907 HC Annotated Anodyne CCCCCn1nnnc1[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000203465431 HC Annotated Anodyne CCCCCn1nnnc1[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000203465437 HC Annotated Anodyne CC1=C[C@]2(C[N+](Cc3ccccc3)=C(N)N2)n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000203471612 HC Annotated Anodyne COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC(C)C)O[C@H]2[C@@]1(C)N ZINC000203730191 HC Annotated Anodyne COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC(C)C)O[C@H]2[C@@]1(C)N ZINC000203730201 HC Annotated Anodyne Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCCN(C)C)cc1CC2 ZINC000020510530 HC Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020511231 HC Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020511233 HC Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000020511447 HC Annotated Anodyne Cc1nn(CC(=O)NCCN2CCN(C)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563120 HC Annotated Anodyne CC1=C(C(=O)N2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)OCCO1 ZINC000020598865 HC Annotated Anodyne CC1CCN(S(=O)(=O)N2CCC(/C(O)=N/CCN3CCOCC3)CC2)CC1 ZINC000020684462 HC Annotated Mild CCOC(=O)CCNC(=O)C1=COC2=NC(=O)N(Cc3c(C)noc3C)CCN12 ZINC000205234749 HC Annotated Anodyne C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(CO)on1 ZINC000205784540 HC Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(CO)on1 ZINC000205784560 HC Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@](C)(O)CO)cc1-2 ZINC000205808511 HC Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)CO)cc1-2 ZINC000205808530 HC Annotated Mild CCOC(=O)CCNC(=O)C1=CN2CCN(Cc3c(C)noc3C)C(=O)N=C2O1 ZINC000206016677 HC Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2S(=O)(=O)c1ccccc1F ZINC000206064119 HC Annotated Anodyne COC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2S(=O)(=O)c1cccc(C)c1 ZINC000206065424 HC Annotated Anodyne C=CCn1c(Cc2csc(NC(=O)[C@H]3CN(C)C(=O)NC3=O)n2)n[nH]c1=S ZINC000206311187 HC Annotated Anodyne C=CCn1c(Cc2csc(NC(=O)[C@@H]3CN(C)C(=O)NC3=O)n2)n[nH]c1=S ZINC000206311222 HC Annotated Anodyne COC(=O)C[C@@H](C(=O)OC)n1cccc1C(=O)NS(=O)(=O)NCc1ccccc1 ZINC000206394655 HC Annotated Anodyne C=C(C)[C@@H]1CC(=O)[C@@](O)(C(=O)OC)[C@@H]2C(=O)[C@@H]3[C@@H]4C(=C[C@H]12)C(=O)O[C@@H]4C[C@]3(C)O ZINC000207616777 HC Annotated Mild CCCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](S)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1 ZINC000208950290 HC Annotated Reactive CCCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@H]2O[C@H](S)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1 ZINC000208950323 HC Annotated Reactive CC1(C)O[C@](C)([C@@H]2CC=C(CO)CC2)CC[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000210552532 HC Annotated Anodyne NC1=N[C@]2(O)n3c(cc(Br)c3Br)C(=O)N3CCC[C@]32N1 ZINC000210609016 HC Annotated Anodyne N[C@H]1[C@@H](C(=O)CSc2nnc(N3CCCC3)n2C2CC2)C(=O)NC(=O)N1C1CC1 ZINC000210943397 HC Annotated Anodyne N[C@H]1[C@H](C(=O)CSc2nnc(N3CCCC3)n2C2CC2)C(=O)NC(=O)N1C1CC1 ZINC000210943430 HC Annotated Anodyne N[C@@H]1[C@@H](C(=O)CSc2nnc(N3CCCC3)n2C2CC2)C(=O)NC(=O)N1C1CC1 ZINC000210943461 HC Annotated Anodyne N[C@@H]1[C@H](C(=O)CSc2nnc(N3CCCC3)n2C2CC2)C(=O)NC(=O)N1C1CC1 ZINC000210943491 HC Annotated Anodyne C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)N1CC(C#N)C1 ZINC000215738506 HC Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)N1CC(C#N)C1 ZINC000215738559 HC Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NCC#N ZINC000215744371 HC Annotated Mild CN1CC[C@](O)(C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)C1=O ZINC000215746208 HC Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)C1=O ZINC000215746259 HC Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CC[C@@H](O)C3)n1CCO2 ZINC000215752744 HC Annotated Mild CN1CCN(Cc2c(C(N)=O)nc3n2CCOc2ccc(C#CC(C)(C)O)cc2-3)CC1 ZINC000215753319 HC Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCC(=O)C3)n1CCO2 ZINC000215755343 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(Cl)c2CCO3)C1=O ZINC000215777276 HC Annotated Mild CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@H]1CN ZINC000217110206 HC Annotated Mild CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@H]1CN ZINC000217110227 HC Annotated Mild CCc1c2c(nc3ccc(B(O)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000217115229 HC Annotated Reactive CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1COC)CC2(C)C ZINC000219043627 HC Annotated Anodyne N#C[C@H](Cc1ccc(OCCN2CCNCC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219319796 HC Annotated Mild N#C[C@H](Cc1ccc(N2CCN(CCO)CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219323656 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](C#N)CO3)C1=O ZINC000219415908 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](C#N)CO3)C1=O ZINC000219415989 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)F)c2CCO3)C1=O ZINC000219422133 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](CO)CO3)C1=O ZINC000219428852 HC Annotated Mild CO[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21 ZINC000219431040 HC Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@H](CO)O3)no1 ZINC000219431744 HC Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@](C)(O)COC)cc1-2 ZINC000219443018 HC Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@@](C)(O)COC)cc1-2 ZINC000219443082 HC Annotated Mild CO[C@@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21 ZINC000219443833 HC Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@](C)(O)CF)cc1-2 ZINC000219445711 HC Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@@](C)(O)CF)cc1-2 ZINC000219445789 HC Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@@H](CO)O3)no1 ZINC000219452353 HC Annotated Mild CN1CC[C@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C(F)(F)CO3)C1=O ZINC000219457272 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](C)(O)CO3)C1=O ZINC000219462958 HC Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@H](CO)O3)no1 ZINC000219463696 HC Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@@H](CO)O3)no1 ZINC000219463775 HC Annotated Mild NC(=O)c1nc2c(s1)C(F)(F)COc1ccc(C#C[C@]3(O)CCNC3=O)cc1-2 ZINC000219477047 HC Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@@H](O)c2sc(C(N)=O)nc2-3)C1=O ZINC000219489447 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](C)(O)CO3)C1=O ZINC000219490581 HC Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@H](O)c2sc(C(N)=O)nc2-3)C1=O ZINC000219492098 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C(F)(F)CO3)C1=O ZINC000219505371 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](CO)CO3)C1=O ZINC000219507430 HC Annotated Mild CNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(C#Cc2coc(COC)c2)cc1 ZINC000219540381 HC Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)NCC(F)F ZINC000220008915 HC Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)NCC(F)F ZINC000220008960 HC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CCC2)CO3)C1=O ZINC000220011125 HC Annotated Mild COc1cc(O)c(C=O)c2oc(=O)c(CC(=O)NCCN3CCOCC3)c(C)c12 ZINC000220430117 HC Annotated Anodyne COC(=O)[C@H](O)C[C@@](O)(C(=O)OC)[C@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1 ZINC000220449194 HC Annotated Anodyne COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4noc(C(N)=O)n4)CC3)c2c1 ZINC000220770272 HC Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(CNC2=C(C(=O)O)C[C@H](C(=O)O)C2)c1O ZINC000220951490 HC Annotated Anodyne in-vitro Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4C3COC3)nc(N3CC4CC3C4)n2)cn1 ZINC000221375865 HC Annotated Anodyne Cc1c(C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)[n+](=O)c2ccccc2n1O ZINC000221705126 HC Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNC(=O)C3)cn2)cn1 ZINC000224745894 HC Annotated Anodyne Cc1cc(C)c2c(=O)n(C[C@@H](O)CN3CCN(CCOCCO)CC3)sc2n1 ZINC000022875065 HC Annotated Anodyne CN1CCN(Cc2ccc(S(=O)(=O)c3csc(S(N)(=O)=O)c3)cc2)CC1 ZINC000022935654 HC Annotated Anodyne CN1CCN(Cc2cn(Cc3c(Cl)c(Cl)cc4[nH]c(=O)c(=O)[nH]c34)nn2)CC1 ZINC000022941845 HC Annotated Anodyne CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCCO)cc2)cc1 ZINC000225123028 HC Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCCO)cc2)cc1 ZINC000225123066 HC Annotated Bother CNC(=O)[C@](C)(C(=O)NO)N(C)C(=O)c1ccc(C#Cc2coc(COC)c2)cc1 ZINC000225127568 HC Annotated Mild CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C[C@@H]2C(CO)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21 ZINC000225450550 HC Annotated Anodyne CC(C)(CNC(=O)Cn1nnnc1CN1CCc2ccccc2C1)N1CCOCC1 ZINC000023129951 HC Annotated Anodyne O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CCN(c2cnccn2)CC1 ZINC000023339675 HC Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO ZINC000230033063 HC Annotated Mild Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc(O)c1C2=O ZINC000230085835 HC Annotated Clean in-man Cn1ncc(N2CCO[C@@H](CCNC(=O)c3nc4ccccn4c3F)C2)cc1=O ZINC000023581362 HC Annotated Anodyne Cn1ncc(N2CCO[C@H](CCNC(=O)c3nc4ccccn4c3F)C2)cc1=O ZINC000023581363 HC Annotated Anodyne CC(=O)O[C@H](C)[C@H](/C=C/[C@@H]1O[C@@H]2[C@H](O)CC(=O)O[C@@H]2[C@@H]1O)OC(=O)c1ccccc1 ZINC000238730762 HC Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CC[C@H](O)C(C)(C)O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000238731163 HC Annotated Mild C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC(=O)N3CC[C@H](OC1=O)[C@@]23OCC ZINC000238732028 HC Annotated Anodyne CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000238732195 HC Annotated Anodyne CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](CC(=O)C1(C)C)[C@]3(C)O)C[C@]2(C)O ZINC000238732863 HC Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@H](C)C(=O)[C@@H](O)C[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238733938 HC Annotated Mild CC(=O)[C@H]1CC[C@@H]2[C@@H]1[C@H](C(C)C)CC[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238735175 HC Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000238735341 HC Annotated Bother C=C(C)C(=O)O[C@@H]1C2=C(COC(C)=O)C(=O)O[C@@H]2[C@@H]2O[C@]2(C)CCC(=O)[C@@H](C)[C@H]1O ZINC000238735354 HC Annotated Mild COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N[C@](CO)([C@H](C)O)[C@@H]3C[C@H]1OC[C@H]23 ZINC000238738050 HC Annotated Anodyne CC(C)C1=C[C@H]2[C@@](C)(O)CC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2(C)CC1 ZINC000238738119 HC Annotated Anodyne C=C1C(=O)[C@@]23C(=O)OC[C@]4([C@@H](OC(C)=O)CCC(C)(C)[C@H]4CO)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O ZINC000238739143 HC Annotated Mild C=C(CO)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2 ZINC000238739584 HC Annotated Mild COC(=O)[C@@]12CO[C@@H](O)[C@@]3([C@H](C)O)[C@@H]1CC(=O)c1[nH]c4ccccc4c1C[C@@H]2N3C ZINC000238740312 HC Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@H](O)[C@@]2(O[C@H](CC(=O)O)CC3=C2C(=O)c2c(O)cccc2C3=O)O1 ZINC000238740375 HC Annotated Mild CC(=O)[C@H]1CC[C@@H]2[C@@H]1[C@H](C(C)C)CC[C@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238740385 HC Annotated Anodyne C=C1[C@H]2CC[C@@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@H]5OC(C)=O)[C@@]3([C@H]2O)[C@@H]1O ZINC000238740608 HC Annotated Mild O=C(/C=C/c1ccc(O)c(C[C@H]2O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O)c1O)c1ccc(O)cc1 ZINC000238740643 HC Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C)[C@H]21 ZINC000238740688 HC Annotated Mild CCCC[C@@H](O)/C=C\C(=O)O[C@H]1[C@H](C)OC(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](O)[C@@H]1C ZINC000238740882 HC Annotated Anodyne C[S@](=O)C[C@@](C)(O)[C@H]1OC(=O)C=C2[C@@]3(C)C=CC[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@@]231 ZINC000238741506 HC Annotated Anodyne CC(=C/C(=O)O)/C=C/[C@@]1(O)C=CC(=O)C[C@]1(C)COC(=O)C[C@@](C)(O)CC(=O)O ZINC000238741604 HC Annotated Mild Oc1cc2c(c(O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c1)CC[C@@H](c1ccc(O)c(O)c1)O2 ZINC000238741692 HC Annotated Clean C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@@](C2)([C@H]1O)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@H]2[C@@H]1O ZINC000238742570 HC Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@]12CCC[C@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238742717 HC Annotated Mild C=C1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@H]1[C@@H](OC(=O)C(C)(C)O)[C@@H](C(=C)C=O)[C@]2(C)[C@@H]1CO1 ZINC000238743028 HC Annotated Reactive C=C(C)[C@H](CO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H](OC(C)=O)C(=C)C ZINC000238743258 HC Annotated Mild C[C@@H]1C[C@H](OC(=O)[C@@](C)(O)CCl)C2=C(CO)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2 ZINC000238743377 HC Annotated Reactive C[C@@H]1[C@@H](C)[C@](O)(CCl)C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000238743657 HC Annotated Reactive CC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000238743665 HC Annotated Reactive Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C2 ZINC000238744110 HC Annotated Clean C[C@@H]1CC[C@H]2C(C(=O)O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)=C[C@@H]3CC(C)(C)C[C@]312 ZINC000238744279 HC Annotated Anodyne CC(=O)O[C@@]1(C)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC(=O)[C@@]4(C[C@H]1C)O[C@@H]4C)[C@@]23O ZINC000238745112 HC Annotated Bother CCCC[C@@H](O)/C=C/C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](C)[C@@H](O)[C@](C)(O)[C@@H](O)[C@H]1C ZINC000238745836 HC Annotated Anodyne COC(=O)[C@]12CC[C@@]34CC(=O)[C@H]5CN(CC[C@@H]3O)[C@@H]4[C@]51c1ccc3c(c1N2)OCO3 ZINC000238746164 HC Annotated Anodyne C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccccc1)O[C@@H]1C[C@H](C(=O)O)C[C@H](O)[C@]1(O)C2=O ZINC000238746324 HC Annotated Anodyne Cc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O ZINC000238746786 HC Annotated Clean C=C1[C@@H]2C[C@@H](OC(C)=O)[C@@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@H]2[C@@H]1O ZINC000238746855 HC Annotated Mild C[C@@H]1[C@@H](C)[C@](O)(CCl)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000238746938 HC Annotated Reactive CO[C@H]1[CH][C@@H]2CC[C@H](NC(C)=O)[C@@H]3[CH]C(=O)[C@H](CO)[CH][CH][C@@H]3[C@H]2[C@@H](OC)[C@H]1OC ZINC000238747452 HC Annotated Anodyne CCCC[C@@H](O)/C=C\C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](C)[C@@H](O)[C@](C)(O)[C@@H](O)[C@@H]1C ZINC000238747612 HC Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(=O)[C@]3(C)CO3)C[C@@]3(C)O[C@@H]3CC[C@@]3(C)O[C@H]3[C@H]2OC1=O ZINC000238747791 HC Annotated Anodyne O=S(=O)(O)Oc1cc(O)cc(Oc2c(O)cc(OS(=O)(=O)O)cc2O)c1 ZINC000238747832 HC Annotated Anodyne C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000238749071 HC Annotated Mild C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1O ZINC000238749347 HC Annotated Clean C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@H]2[C@@H]1O ZINC000238749680 HC Annotated Mild C=C[C@@](C)(O)CC/C=C(\C)CC[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(C)(C)O ZINC000238750223 HC Annotated Mild C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@H](OC(C)=O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000238750323 HC Annotated Mild CC1=C2C[C@](O)(C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@H](C)[C@H]2CC1=O ZINC000238750356 HC Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)O)[C@H]1O)[C@@H]32 ZINC000238750468 HC Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@H]2C[C@@]3(O)OC[C@@]12[C@@H]1C[C@@H](O)[C@@H]2C[C@@]13[C@@H](O)[C@H]2CO ZINC000238750533 HC Annotated Anodyne C[C@H]1O[C@H]([C@@H]2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000238750542 HC Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c1C2=O ZINC000238751330 HC Annotated Clean Cc1cc(O)c2c(c1)[C@@H](O)c1cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc(O)c1[C@H]2O ZINC000238751794 HC Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(=O)[C@]3(C)CO3)C[C@@]3(C)O[C@@H]3CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000238752488 HC Annotated Anodyne C=C[C@@](C)(O)CC/C=C(/C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O ZINC000238752828 HC Annotated Mild COC(=O)[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000238753434 HC Annotated Anodyne C=C1C(=O)O[C@@H]2C/C=C(\C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C/C=C(\C)C[C@@H]12 ZINC000238753830 HC Annotated Mild C=C[C@@](C)(O)CC/C=C(\C)CC[C@H](O)C(C)(C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000238753905 HC Annotated Mild C=C(CC/C=C(/C)CO)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238754978 HC Annotated Mild C[C@@H]1C[C@](O)([C@@H](C)Cl)C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@]1(C)O)[C@@]23O ZINC000238755539 HC Annotated Reactive C=C(CO)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238755833 HC Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H]2OC3=O ZINC000238755859 HC Annotated Mild CC(C)=CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O/C=C\Cc2ccc(O)c(O)c2)[C@@H]1O ZINC000238756856 HC Annotated Clean C/C=C1/C[C@@H](COC(C)=O)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000238757269 HC Annotated Mild CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@H](OC(=O)[C@@]3(C[C@@H]1C)O[C@@H]3C)C2=O ZINC000238757624 HC Annotated Mild CC(/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O)=C\C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C)O[C@H]1O ZINC000238757765 HC Annotated Anodyne CC(C)C1=CC[C@@]2(C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@](C)(O)[C@@H]2C1 ZINC000238757932 HC Annotated Anodyne C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)CC[C@@H]12 ZINC000238758213 HC Annotated Mild C[S@](=O)C[C@@](C)(O)[C@H]1OC(=O)C=C2[C@]3(C)C=CC[C@@]4(C)C(=O)O[C@H]([C@@H]34)[C@@H]3O[C@]231 ZINC000238758525 HC Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@]4(O)[C@@]3(C)[C@@H]([C@@H]3OCO[C@H]3[C@@]4(C)O)[C@@]2(C)C1=O ZINC000238758620 HC Annotated Mild C[C@@H]1O[C@H](Oc2cc(O)c3c(c2)O/C(=C\c2ccc(O)cc2)C3=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238758942 HC Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C/C=C(\C)CC[C@@H]12 ZINC000238759006 HC Annotated Mild CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000238759486 HC Annotated Anodyne C=C1C[C@]23C(=O)C(=O)[C@@H]4[C@@]5(C)C[C@H](OC(C)=O)C[C@]46[C@@H]([C@H]2C(=O)[C@H]1C[C@]36O)N(C)C5 ZINC000238759715 HC Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 ZINC000238760002 HC Annotated Bother C=C1[C@@H]2C[C@@H](OC(C)=O)[C@@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32[C@H](O)CCC(C)(C)[C@H]2[C@@H]1O ZINC000238760239 HC Annotated Mild C=C(CC/C=C(\C)CO)CCO[C@H]1O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000238760636 HC Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)O)[C@@H]1O)[C@@H]32 ZINC000238761018 HC Annotated Anodyne COc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC000238761054 HC Annotated Clean CC(=O)O[C@@H]1[C@@H]2CC[C@@H]3[C@@](C)(O)[C@@H]4C[C@@H](O)C(C)(C)[C@]4(O)[C@@H](O)C[C@@]31C[C@]2(C)O ZINC000238761254 HC Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@]2(CO)O[C@@H]2/C=C\[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238762600 HC Annotated Mild C=C1CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000238763068 HC Annotated Mild CC1=CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]12 ZINC000238763280 HC Annotated Anodyne CCCC[C@@H](O)/C=C/C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](C)[C@@H](O)[C@](C)(O)[C@@H](O)[C@@H]1C ZINC000238763478 HC Annotated Anodyne CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H]([C@H](OO)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@@H]43)[C@H]1C2(C)C ZINC000238763913 HC Annotated Reactive C=C1[C@@H](O)[C@]23C[C@]14OC(C)(C)O[C@H]4C[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238764346 HC Annotated Mild COC(=O)[C@]1(O)[C@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccc(OC)c(O)c6N[C@]15CC2)[C@@H]43 ZINC000238764950 HC Annotated Anodyne CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@]3(C[C@@H]1C)O[C@@H]3C)C2=O ZINC000238765003 HC Annotated Mild C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@@H](OC(C)=O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000238765009 HC Annotated Mild C=C1C[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000238765327 HC Annotated Mild CC[C@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000238765539 HC Annotated Clean C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@@H]12 ZINC000238766380 HC Annotated Bother C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccccc1)O[C@@H]1C[C@@H](C(=O)O)C[C@H](O)[C@]1(O)[C@H]2O ZINC000238767059 HC Annotated Anodyne C/C(=C/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C ZINC000238767128 HC Annotated Mild COC(=O)[C@H]1[C@@H]2CC(=O)[C@]34CCN(C[C@@H]2[C@@H](C)O)[C@]13N(C=O)c1c(OC)cccc14 ZINC000238767537 HC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C=O)CCCC(C)(C)[C@H]4[C@H](O)C(=O)[C@@]3([C@H]1OC(C)=O)[C@@H]2O ZINC000238768584 HC Annotated Mild C[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(O1)O[C@@H]1CC(=O)O[C@@H]1C1=C2C(=O)c2c(O)cccc2C1=O ZINC000238768656 HC Annotated Mild CO/C(C)=C1\C[C@@]2(OC1=O)[C@@H]1O[C@@H]1[C@@]1(O)[C@H]3C(=O)O[C@H]([C@H]3C(C)C)[C@@H](OC)[C@@]21C ZINC000238768666 HC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](O)[C@H](OC(=O)/C(=C/C)COC(C)=O)C(=C)[C@@H]1[C@H](O)C=C(C)[C@@H]12 ZINC000238768768 HC Annotated Mild C=C1[C@H](O)[C@]23C[C@]14OC(C)(C)O[C@H]4C[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238768770 HC Annotated Mild C[C@H]1O[C@@H](OC(=O)c2cccc3nc4c(C(=O)O)cccc4nc23)[C@H](O)[C@H](O)[C@H]1O ZINC000238768991 HC Annotated Bother C=C1C[C@@H](OC(=O)/C(=C/CO)COC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C=C[C@]2(C)O ZINC000238769318 HC Annotated Mild O=C(O)/C=C1\C=C(C(=O)O)[C@@H](C(=O)O)[C@H](c2ccc(O)c(O)c2)[C@]1(O)CC(=O)O ZINC000238769398 HC Annotated Clean CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2/C(=C/O)[C@@H]4O ZINC000238769567 HC Annotated Mild C[C@@H]1CC[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3OC(=O)c1ccccc1)[C@@]1(O)C(=O)OC[C@]12C ZINC000238769763 HC Annotated Anodyne C=C(C)C(=O)O[C@@H]1C2=C(COC(C)=O)C(=O)O[C@@H]2[C@H]2O[C@]2(C)CCC(=O)[C@@H](C)[C@H]1O ZINC000238769766 HC Annotated Mild COC(=O)C[C@H]1[C@@H](C)C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3C(=O)OC[C@@]123 ZINC000238769895 HC Annotated Mild C/C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OC[C@H]2[C@H](O)C[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000238769896 HC Annotated Bother CC(=C/[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O)/C=C/[C@@H]1C(C)(C)[C@H](O)CC[C@@]1(C)O ZINC000238770030 HC Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]23CO3)[C@@]1(CO)COC(C)=O ZINC000238770179 HC Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO ZINC000238771028 HC Annotated Mild CO[C@H]1Oc2cccc3c2N(C1=O)[C@]1(O)[C@@H]2O[C@H](C)[C@@H]4C(=O)[C@]31CCN(C)CC[C@@H]42 ZINC000238771935 HC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(=C)[C@@H]1[C@H](O)C=C(C)[C@H]21 ZINC000238772177 HC Annotated Mild C=C1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 ZINC000238772285 HC Annotated Mild C=C(CO)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2 ZINC000238772363 HC Annotated Mild C=C1[C@@H](OC(C)=O)[C@@]23C[C@]1(O)CC[C@H]2[C@]12CO[C@H](CC1=O)C(C)(C)[C@H]2[C@H](O)C3=O ZINC000238772651 HC Annotated Mild C=C(CC/C=C(/C)COC(C)=O)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238773032 HC Annotated Mild COC(=O)[C@]12CC[C@@]34CC(=O)[C@H]5CN(CC[C@H]3O)[C@@H]4[C@]51c1ccc3c(c1N2)OCO3 ZINC000238773248 HC Annotated Anodyne CC(=O)CC[C@H]1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238773531 HC Annotated Anodyne COC(=O)[C@H]1[C@@H]2C[C@@](N)(NC[C@]23O[C@H]3C)[C@@]23Nc4ccccc4[C@@]12C[C@@H](OC)O3 ZINC000238773774 HC Annotated Anodyne CC(=O)CC[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCC[C@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238774023 HC Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C/C=C(\C)CC[C@@H]12 ZINC000238775107 HC Annotated Mild CO[C@@H]1[CH][CH][C@H]2[C@@H]([CH]C1=O)[C@@H](NC(C)=O)CC[C@@H]1[C@@H](OC)[C@@H]3OCO[C@@H]3[C@H](OC)[C@H]21 ZINC000238775301 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](O)[C@@H]1C[C@](C)(OC(C)=O)[C@@H]2[C@]12CCCC(C)(C)[C@H]1C(=O)[C@@]3(O)[C@@H]2O ZINC000238775888 HC Annotated Mild COC1=C(OC)[C@]23c4c(ccc(OC)c4O)C[C@H]([C@@H]2[C@@H](OC)C1=O)N(C)C[C@H]3O ZINC000238775910 HC Annotated Mild C=C(C(=O)O)[C@@H]1CC[C@]2(C)C(=C(C)CC[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000238776188 HC Annotated Mild C=C(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC(=O)[C@@]2(C)CCCC(C)=C2C1 ZINC000238776446 HC Annotated Mild C=C[C@@](C)(O)C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1 ZINC000238776912 HC Annotated Mild C=C1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@H]1[C@@H](OC(=O)C(C)(C)O)[C@@H](C(=C)C=O)[C@]2(C)[C@H]1CO1 ZINC000238776980 HC Annotated Reactive C/C(=C\CO)CC/C=C(\C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O ZINC000238777039 HC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCC(=C)[C@H]21 ZINC000238777582 HC Annotated Mild Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c1C2=O ZINC000238777755 HC Annotated Clean C=C1[C@@H]2CC[C@H]3[C@H](O)[C@]2(C[C@@H](OC(C)=O)[C@]2(O)[C@H]1[C@H](O)[C@@H](O)C2(C)C)C[C@@]3(C)O ZINC000238777793 HC Annotated Mild CC(=O)O[C@@H]1C[C@@]23C[C@@](C)(O)[C@@H](CC[C@H]2[C@](C)(O)[C@H]2C[C@H](O)C(C)(C)[C@@]12O)[C@H]3O ZINC000238777804 HC Annotated Anodyne O=C(/C=C/c1ccc(O)c(C[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@@H]2O)c1O)c1ccc(O)cc1 ZINC000238777983 HC Annotated Mild CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC(=O)[C@@H]4[C@@H](C)C(=O)[C@@]3([C@H](O)C[C@@H]2C1(C)C)[C@@H]4O ZINC000238778134 HC Annotated Anodyne C[C@@H]1O[C@@H](O[C@@H]2C=C(C=O)[C@](O)(C=O)[C@@]3(C)CCCC(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O ZINC000238778937 HC Annotated Reactive CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(CO1)[C@]2(O)C/C=C1/C(=O)OC[C@H]1O ZINC000238779956 HC Annotated Anodyne C=C(CO)C(=O)O[C@H]1C[C@@H](C)C(=O)CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238780339 HC Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000238780381 HC Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(=C)CC[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238781296 HC Annotated Mild CC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@@](C)(O)[C@H]4C[C@H](O)C(C)(C)[C@]4(O)[C@@H](O)C[C@]13C[C@@]2(C)O ZINC000238781659 HC Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@H](O)C[C@]3(C)C(=O)O[C@H]4O[C@]5(c6ccoc6)C[C@@]1(O)[C@]2(C)[C@@]43O5 ZINC000238781755 HC Annotated Anodyne CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC(=O)[C@H]4[C@@H](C)C(=O)[C@]3([C@H](O)C[C@@H]2C1(C)C)[C@@H]4O ZINC000238781816 HC Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(=O)[C@@]3(C)CO3)C/C(C)=C/C(=O)C[C@@]3(C)O[C@H]3[C@H]2OC1=O ZINC000238782153 HC Annotated Mild CC[C@H](C)[C@H]1NC(=O)[C@@H](CCCNC(=O)CCC(=O)O[C@H](C)[C@H](C)O)N(C)C1=O ZINC000238782802 HC Annotated Anodyne CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C(=O)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@H]34)[C@H]1C2(C)C ZINC000238783011 HC Annotated Mild COC(=O)c1cc(OC)cc2oc3cc([C@H](CO)[C@H](O)CO)cc(O)c3c(=O)c12 ZINC000238784163 HC Annotated Bother C=C[C@](C)(C/C=C\[C@@]1(C)CC[C@@H](C(C)(C)O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238784173 HC Annotated Mild O=C1N=C(NCCS(=O)(=O)O)[C@]2(CCNC(=O)c3[nH]c(Br)cc32)O1 ZINC000238784943 HC Annotated Anodyne C=CC(=C)CC[C@@H](OC(C)=O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238785344 HC Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2O[C@H]2C[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238785366 HC Annotated Mild COC(=O)c1ccc(OC)c2oc3cc([C@H](CO)[C@H](O)CO)cc(O)c3c(=O)c12 ZINC000238786959 HC Annotated Bother O=C(/C=C/CCCCCCCCCO)N[C@H]1C[C@@]2(O[C@H]1O)C(=O)C=C[C@@H](O)[C@@H]2O ZINC000238788221 HC Annotated Mild O=C(/C=C\c1ccc(O)c(C[C@H]2O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O)c1O)c1ccc(O)cc1 ZINC000238788491 HC Annotated Mild C/C(=C/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C ZINC000238789495 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC(=O)[C@@H]1[C@H]2O)[C@]1(C)C(=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000238789650 HC Annotated Mild COC(=O)[C@H]1[C@@H]2C[C@@](N)(NC[C@]23O[C@H]3C)[C@@]23Nc4ccccc4[C@@]12C[C@H](OC)O3 ZINC000238789889 HC Annotated Anodyne CC(=O)N1CCN([C@]23O[C@@]4(N5CCN(C(C)=O)CC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)CC1 ZINC000245204482 HC Annotated Anodyne CC(=O)N1CCN([C@]23O[C@@]4(N5CCN(C(C)=O)CC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@@H]2[C@@H]6[C@@H]4[C@@H]23)CC1 ZINC000245204483 HC Annotated Anodyne CC(=O)N1CCN([C@@]23O[C@]4(N5CCN(C(C)=O)CC5)[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@@H]([C@H]25)[C@@H]4[C@@H]63)CC1 ZINC000245204484 HC Annotated Anodyne CC(=O)N1CCN([C@@]23O[C@@]4(N5CCN(C(C)=O)CC5)[C@@H]5[C@H]6C[C@@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CC1 ZINC000245204485 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2cc(OC)ccc2OC)[C@H]3C1=O ZINC000245380693 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(OC)cc2OC)[C@H]3C1=O ZINC000245380716 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(OC)cc2OC)[C@H]3C1=O ZINC000245380717 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCc2ccccc2OC)[C@H]3C1=O ZINC000245380897 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCc2ccccc2OC)[C@H]3C1=O ZINC000245380898 HC Annotated Anodyne O=C(NCc1cccs1)[C@@H]1[C@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C(=O)[C@H]13)O2 ZINC000245380908 HC Annotated Anodyne O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C(=O)[C@H]13)O2 ZINC000245380909 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc4c(c2)OCO4)[C@H]3C1=O ZINC000245380990 HC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)[C@H]3C1=O ZINC000245380991 HC Annotated Anodyne Cn1c(=O)c2ncn(CC(=O)NCCOc3ccc(C(C)(C)C)cc3)c2n(C)c1=O ZINC000002842948 HC Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)NC1CCCCC1 ZINC000002928491 HC Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)NC1CCCCC1 ZINC000002928493 HC Annotated Anodyne O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCCCC1 ZINC000002964775 HC Annotated Anodyne O=C(NCCCN1CCOCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250082485 HC Annotated Anodyne O=C(NCCCN1CCOCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250082489 HC Annotated Anodyne CCCCC[C@@H]1OC2=C(C(=O)N(OC)[C@@H]2CSC[C@H](O)C(=O)O)[C@H](O)[C@@]1(C)O ZINC000253393593 HC Annotated Anodyne CCCCC[C@@H]1OC2=C(C(=O)N(OC)[C@@H]2CSC[C@H](O)C(=O)O)[C@@H](O)[C@@]1(C)O ZINC000253393594 HC Annotated Anodyne CCCCC[C@@H]1OC2=C(C(=O)N(OC)[C@@H]2CSC[C@H](O)C(=O)O)[C@H](O)[C@]1(C)O ZINC000253393595 HC Annotated Anodyne CCCCC[C@@H]1OC2=C(C(=O)N(OC)[C@@H]2CSC[C@H](O)C(=O)O)[C@@H](O)[C@]1(C)O ZINC000253393597 HC Annotated Anodyne CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)c1 ZINC000253632783 HC Annotated Reactive CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000253632785 HC Annotated Reactive CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)c1 ZINC000253632786 HC Annotated Reactive CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)c1 ZINC000253632788 HC Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCc4ccco4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253633095 HC Annotated Mild CC(=O)OC[C@@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253634303 HC Annotated Reactive CC(=O)OC[C@@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000253634305 HC Annotated Reactive CC(=O)OC[C@@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253634307 HC Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CCC4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253634485 HC Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CCC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000253634486 HC Annotated Mild Cc1cn([C@@H]2C[C@@H]3C[C@H](CI)OC[C@@]3(CO)O2)c(O)nc1=O ZINC000253634745 HC Annotated Reactive Cc1cn([C@@H]2C[C@@H]3C[C@@H](CI)OC[C@]3(CO)O2)c(O)nc1=O ZINC000253634746 HC Annotated Reactive C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OC(=O)N2CCC(C(=O)O)CC2)[C@H](O)[C@H](O)[C@H]1O ZINC000253635384 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OC(=O)N2CCC(C(=O)O)CC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253635388 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OC(=O)N2CCC(C(=O)O)CC2)[C@H](O)[C@H](O)[C@@H]1O ZINC000253635391 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OC(=O)N2CCC(C(=O)O)CC2)[C@H](O)[C@@H](O)[C@H]1O ZINC000253635395 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253638074 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253638077 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000253638079 HC Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CNC4CC4)nc3)[C@@H]12 ZINC000253639349 HC Annotated Anodyne CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)n1 ZINC000253654218 HC Annotated Reactive CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)n1 ZINC000253654220 HC Annotated Reactive CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)n1 ZINC000253654221 HC Annotated Reactive CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)NC1 ZINC000253665541 HC Annotated Reactive CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)NC1 ZINC000253665549 HC Annotated Reactive CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)NC1 ZINC000253665554 HC Annotated Reactive CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)NC1 ZINC000253665559 HC Annotated Reactive CO[C@H](C(=O)[C@@H](O)[C@H](C)O)[C@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@H]1O ZINC000253681991 HC Annotated Anodyne CO[C@H](C(=O)[C@@H](O)[C@H](C)O)[C@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@@H]1O ZINC000253681999 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OCCCCC(C(=O)O)C(=O)O)[C@H](O)[C@H](O)[C@@H]1O ZINC000253690189 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OCCCCC(C(=O)O)C(=O)O)[C@H](O)[C@@H](O)[C@H]1O ZINC000253690196 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OCCCCC(C(=O)O)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253690200 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OCCCCC(C(=O)O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O ZINC000253690207 HC Annotated Anodyne CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1 ZINC000253699276 HC Annotated Reactive CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC000253699282 HC Annotated Reactive CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000253699285 HC Annotated Reactive CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1 ZINC000253699290 HC Annotated Reactive CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)NC1 ZINC000253704466 HC Annotated Reactive CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)NC1 ZINC000253704472 HC Annotated Reactive CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)NC1 ZINC000253704479 HC Annotated Reactive CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)NC1 ZINC000253704483 HC Annotated Reactive CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)nc1 ZINC000253707062 HC Annotated Reactive CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)nc1 ZINC000253707067 HC Annotated Reactive CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)nc1 ZINC000253707071 HC Annotated Reactive CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)nc1 ZINC000253707075 HC Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253712173 HC Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@H]1N[C@H]12 ZINC000253712179 HC Annotated Reactive CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)N1 ZINC000253809465 HC Annotated Reactive CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N1 ZINC000253809466 HC Annotated Reactive CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N1 ZINC000253809469 HC Annotated Reactive CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N1 ZINC000253809470 HC Annotated Reactive CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 ZINC000254042314 HC Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000254042319 HC Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000254042326 HC Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000254042329 HC Annotated Mild CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000254042444 HC Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000254042450 HC Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 ZINC000254042454 HC Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000254042458 HC Annotated Reactive C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@H]1[C@@H](O)[C@@]3(O)OC2 ZINC000254045412 HC Annotated Mild C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@@H]1[C@@H](O)[C@@]3(O)OC2 ZINC000254045417 HC Annotated Mild C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000254045420 HC Annotated Mild C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@@H]1[C@H](O)[C@@]3(O)OC2 ZINC000254045424 HC Annotated Mild CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N1 ZINC000254058115 HC Annotated Reactive CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N1 ZINC000254058116 HC Annotated Reactive CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N1 ZINC000254058117 HC Annotated Reactive CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)N1 ZINC000254058118 HC Annotated Reactive COc1ccc(-c2c(C#N)c(N)n([C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)c(=S)c2C#N)cc1 ZINC000254077232 HC Annotated Mild COc1ccc(-c2c(C#N)c(N)n([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(=S)c2C#N)cc1 ZINC000254077235 HC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]12CCC[C@@](C)(CO[C@H]1O)[C@H]2C[C@H]3O ZINC000254077825 HC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@H](OC(C)=O)[C@H]2[C@@]12CCC[C@@](C)(CO[C@H]1O)[C@H]2C[C@H]3O ZINC000254077827 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@H](OC(C)=O)C[C@H]1[C@H]2O)[C@@]12CCC[C@@](C)(CO[C@H]1O)[C@H]2C[C@H]3O ZINC000254077829 HC Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@H]1[C@H]2O)[C@@]12CCC[C@@](C)(CO[C@H]1O)[C@H]2C[C@H]3O ZINC000254077831 HC Annotated Mild C[C@]1(CO)O[C@H](n2cc(C(=O)NC(=O)OCc3ccccc3)c(O)nc2=O)C[C@H]1O ZINC000254077869 HC Annotated Anodyne CCOC(=O)CN[C@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H](OC)[C@H]1NC(C)=O ZINC000254127865 HC Annotated Anodyne CCOC(=O)CN[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H](OC)[C@H]1NC(C)=O ZINC000254127867 HC Annotated Anodyne CCOC(=O)CN[C@@H]1[C@H](NC(C)=O)[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 ZINC000254127869 HC Annotated Anodyne CCOC(=O)CN[C@@H]1[C@H](NC(C)=O)[C@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 ZINC000254127871 HC Annotated Anodyne C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000254129954 HC Annotated Anodyne C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000254129955 HC Annotated Anodyne C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000254129956 HC Annotated Anodyne C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000254129957 HC Annotated Anodyne CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000254131919 HC Annotated Reactive CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@H]1NC(=O)N(CCCl)N=O ZINC000254131925 HC Annotated Reactive CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](OC(C)=O)[C@H]1NC(=O)N(CCCl)N=O ZINC000254131929 HC Annotated Reactive CSC1=NC(=O)CCN1[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254136714 HC Annotated Anodyne CSC1=NC(=O)CCN1[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254136716 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@]4(O)[C@H](O)C[C@]31C[C@@]2(C)O ZINC000254224153 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@]4(O)[C@H](O)C[C@]31C[C@]2(C)O ZINC000254224155 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@]4(O)[C@@H](O)C[C@]31C[C@]2(C)O ZINC000254224157 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@]4(O)[C@@H](O)C[C@]31C[C@@]2(C)O ZINC000254224159 HC Annotated Anodyne C=CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(S(N)(=O)=O)ccc21 ZINC000254568405 HC Annotated Mild O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2S(=O)(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000025980119 HC Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2S(=O)(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000025980127 HC Annotated Anodyne Cc1c(C(=O)N(C)CCC(=O)O)s/c(=N\C(=O)c2ccc(C(=N)N)cc2)n1C ZINC000025982190 HC Annotated Anodyne C[C@@H]1CC(=O)N(CCCCN2CCN(c3cncc(Cl)n3)CC2)S(=O)(=O)N1 ZINC000025983415 HC Annotated Anodyne C[C@H]1CC(=O)N(CCCCN2CCN(c3cncc(Cl)n3)CC2)S(=O)(=O)N1 ZINC000025983424 HC Annotated Anodyne CCN1C[C@]2(O)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC)[C@@H]([C@@H](OC)[C@H]23)[C@@H]14 ZINC000255196229 HC Annotated Anodyne CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]3C[C@@H]([C@@H]12)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@]13OCO[C@H]23 ZINC000255196356 HC Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@H](CC[C@@H]2[C@@](C)(O)[C@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@](C)(O)C3 ZINC000255196785 HC Annotated Anodyne C=C1CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000255198092 HC Annotated Mild CC1=CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000255202405 HC Annotated Anodyne CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2C[C@@H](O)[C@]3(C)[C@](O)([C@H](C)O)CC[C@]3(O)[C@]12O ZINC000255205787 HC Annotated Anodyne CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2C[C@@H](O)[C@]3(C)[C@](O)([C@H](C)O)CC[C@]3(O)[C@@]21O ZINC000255205788 HC Annotated Anodyne CO[C@H]1C[C@@]2(O)[C@H]3[C@@H](OC)[C@@H]1C[C@H]3[C@@]13[C@@H](OC)CC[C@H]4C=N[C@@H]1[C@]2(O)[C@@H](OC)[C@H]43 ZINC000255207484 HC Annotated Anodyne CC(=O)O[C@H]1C[C@@]23C[C@@](C)(O)[C@@H](CC[C@@H]2[C@@](C)(O)[C@@H]2[C@@H]4O[C@@H]4C(C)(C)[C@]12O)[C@H]3O ZINC000255209302 HC Annotated Anodyne CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@H]3O ZINC000255209303 HC Annotated Anodyne C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255209566 HC Annotated Mild C=C(C)[C@@H]1C[C@H]2[C@](C)(O)[C@@H](O[C@H]3O[C@H](OC)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)C[C@@H]1O ZINC000255210514 HC Annotated Mild CCN1C[C@]2(CO)CC[C@H](O)[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 ZINC000255218107 HC Annotated Anodyne C[C@]12CC[C@H](O)C[C@H]1C[C@@H]1O[C@]13[C@H]2[C@H](O)C(=O)[C@]1(C)[C@@H]([C@H]2C=CC(=O)O2)CC[C@@]13O ZINC000255218329 HC Annotated Anodyne C=C1C[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@@H]2[C@@H]1CC[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255219881 HC Annotated Mild C=C1[C@H]2C[C@]3([C@@H]([C@@H]4O[C@@H]42)[C@@]24CO[C@]3(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]4OC(C)=O)[C@@H]1O ZINC000255220512 HC Annotated Mild CC(=O)O[C@@H]1[C@H](C)C(=O)[C@@]23C[C@@H](C)[C@H](O)[C@]2(/C=C(\C)[C@@H](O)[C@H](O)[C@H]2[C@@H]1C2(C)C)O3 ZINC000255220975 HC Annotated Anodyne C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]2(C)C[C@H]3OC(=O)[C@@H](C)[C@H]3C[C@@H]12 ZINC000255224052 HC Annotated Mild C[C@@H]1[C@@H]2C[C@H]3CC[C@]2(C)[C@@](O)(C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(C)C ZINC000255224540 HC Annotated Anodyne CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@]24O[C@@]12[C@@H]([C@@H](O)[C@H](O)C2(C)C)[C@H]4C)[C@@H]3O ZINC000255226320 HC Annotated Anodyne C[C@H]1[C@H](O)[C@@H](C)C(=O)O[C@H]([C@@H](C)O)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(CO2)[C@@H]1O ZINC000255230703 HC Annotated Anodyne CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H]([C@H]4O[C@H]4C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000255253094 HC Annotated Anodyne CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H]([C@@H]4O[C@@H]4C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000255253098 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@H]([C@@H]4O[C@@H]4C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000255253099 HC Annotated Anodyne C/C1=C\C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 ZINC000255256923 HC Annotated Anodyne C/C1=C\C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 ZINC000255256925 HC Annotated Anodyne CC1=CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 ZINC000255256927 HC Annotated Anodyne C/C1=C\C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)/C(C)=C/[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 ZINC000255256929 HC Annotated Anodyne C[C@@H]1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)C[C@H]21 ZINC000255261420 HC Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@H](C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/CC1 ZINC000255261957 HC Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/CC1 ZINC000255261958 HC Annotated Anodyne CCN1C[C@@]2(COC)CC[C@@H](O)[C@]34[C@H]5C[C@@H]6[C@H](O)[C@H]5[C@@](O)(C[C@H]6OC)[C@H](C[C@@H]23)[C@H]14 ZINC000255262087 HC Annotated Anodyne CCN1C[C@]2(COC)CC[C@@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@@H]6O ZINC000255262088 HC Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@@H]6O ZINC000255262089 HC Annotated Anodyne CCN1C[C@]2(COC)CC[C@@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O ZINC000255262090 HC Annotated Anodyne C=C1C[C@]23[C@H](O)C(=O)[C@@H]4[C@@]5(C)C[C@H](OC(C)=O)C[C@]46[C@@H]([C@H]2C(=O)[C@H]1C[C@]36O)N(C)C5 ZINC000255265095 HC Annotated Mild CCN1[C@H]2[C@@]34[C@@H]5CC[C@](COC)([C@H]3C[C@]2(O)[C@@]2(O)C[C@H](OC)[C@@H]3C[C@H]4[C@H]2[C@H]3O)[C@H]1O5 ZINC000255269556 HC Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@H](C)[C@@H]1CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C ZINC000255272777 HC Annotated Anodyne CN(C)[C@H]1CO[C@H]2[C@]34O[C@H]3[C@H]3OC(=O)[C@]5(C)[C@@H]3[C@]3(CC[C@]5(O)OC3)[C@@H]4CC[C@@]12C ZINC000255274005 HC Annotated Anodyne CN(C)[C@H]1CO[C@@H]2[C@@]1(C)CC[C@@H]1[C@@]34CC[C@@](O)(OC3)[C@]3(C)C(=O)O[C@H]([C@@H]5O[C@]521)[C@H]43 ZINC000255274006 HC Annotated Anodyne CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@@H](OC)C[C@@](O)([C@@H]5[C@H]6O)[C@@H](C[C@H]23)[C@@H]14 ZINC000255274860 HC Annotated Anodyne CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@@H]6O ZINC000255274861 HC Annotated Anodyne C=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)C[C@H]3OC(=O)[C@@H](C)[C@H]3C[C@@H]12 ZINC000255275806 HC Annotated Mild COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]1C[C@@H]([C@H]3NC2=O)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000255280386 HC Annotated Anodyne C[C@H]1CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12 ZINC000255281927 HC Annotated Anodyne CO[C@H]1[C@@H](O)[CH][C@@H]2C[C@@H](C)[C@@](C)(O)C[C@H]3[CH][C@H](O)[C@H](OC)[C@H](OC)[C@H]3[C@@H]2[C@H]1OC ZINC000255285677 HC Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@@H]3[C@@H]5[C@H]1O)[C@@H](O)[C@@H]42 ZINC000255287037 HC Annotated Anodyne COc1c(C)c(O)c2c(c1O)[C@H]1CO[C@@H]3[C@@H]4C[C@@H]5[C@@H]6OCCN6[C@H]2[C@@H]([C@@H]5N4C)N13 ZINC000255287527 HC Annotated Clean COc1c(C)c(O)c2c(c1O)[C@@H]1CO[C@@H]3[C@@H]4C[C@H]5[C@H]([C@H]([C@@H]2N2CCO[C@H]52)N13)N4C ZINC000255287528 HC Annotated Clean C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257398496 HC Annotated Mild C=C[C@@](C)(CCC=C(C)C)O[C@@H]1O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257398497 HC Annotated Mild C=C[C@@](C)(CCC=C(C)C)O[C@H]1O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257398498 HC Annotated Mild C=C[C@](C)(CCC=C(C)C)O[C@H]1O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257398499 HC Annotated Mild Cc1c(O[C@@H]2O[C@@H](COC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)occc1=O ZINC000257457676 HC Annotated Anodyne Cc1c(O[C@H]2O[C@@H](COC(=O)/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)occc1=O ZINC000257457677 HC Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)OC)C(C)(C)O)[C@H]12 ZINC000257521436 HC Annotated Anodyne C=C1CC[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@]2(C)CC[C@@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000257525411 HC Annotated Mild C=C1CC[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@]2(C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]12 ZINC000257525412 HC Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CCC(=C)[C@H]21 ZINC000257525413 HC Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CCC(=C)[C@H]21 ZINC000257525414 HC Annotated Mild CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000257528945 HC Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000257528946 HC Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000257528947 HC Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000257528948 HC Annotated Anodyne CC(=O)O[C@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@]3(C[C@@H]1C)O[C@@H]3C)C2=O ZINC000257533316 HC Annotated Mild CC1=C(Nc2ccc(O)cc2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H](N)[C@@H]3O ZINC000026146310 HC Annotated Mild CC1=C(Nc2ccc(O)cc2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H](N)[C@H]3O ZINC000026146317 HC Annotated Mild CC1=C(Nc2ccc(O)cc2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H](N)[C@@H]3O ZINC000026146322 HC Annotated Mild CC1=C(Nc2ccc(O)cc2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H](N)[C@H]3O ZINC000026146328 HC Annotated Mild Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC(C)(C)C ZINC000026160367 HC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@](=O)CSC(C)(C)C ZINC000026160376 HC Annotated Anodyne CCCCSC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026162353 HC Annotated Anodyne CCCCSC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026162359 HC Annotated Anodyne CCc1c(C(=O)N=C(N)N)[nH]c(Cc2[nH]c(C(=O)N=C(N)N)c(CC)c2C)c1C ZINC000026167271 HC Annotated Mild COC(=O)C[C@H](CN1CCCC1)NC(=O)C[C@@H]1CC(c2ccc(C(=N)N)cc2)=NO1 ZINC000026176209 HC Annotated Anodyne COC(=O)C[C@H](CN1CCCC1)NC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1 ZINC000026176214 HC Annotated Anodyne N[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2nccs2)C1 ZINC000026188403 HC Annotated Bother N[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2nccs2)C1 ZINC000026188408 HC Annotated Bother CCS(=O)(=O)NN(C)S(=O)(=O)c1ccc(I)cc1 ZINC000026270100 HC Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H](CNC(=O)CNC(=O)Cc3ccccc3)[C@H]2O1 ZINC000026284216 HC Annotated Anodyne CCc1ccnc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1 ZINC000026285881 HC Annotated Reactive CCc1ccnc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1 ZINC000026285887 HC Annotated Reactive CCc1ccnc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000026285893 HC Annotated Reactive CCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000026285898 HC Annotated Reactive CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 ZINC000026290628 HC Annotated Reactive CCC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 ZINC000026290635 HC Annotated Reactive CCC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000026290641 HC Annotated Reactive CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000026290647 HC Annotated Reactive O=C(CO)OCN1C(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026290907 HC Annotated Anodyne O=C(CO)OCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026290912 HC Annotated Anodyne CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)NC1 ZINC000026292069 HC Annotated Reactive CC[C@H]1CC[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)NC1 ZINC000026292076 HC Annotated Reactive CC[C@H]1CC[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)NC1 ZINC000026292082 HC Annotated Reactive CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)NC1 ZINC000026292087 HC Annotated Reactive CCc1ccc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)nc1 ZINC000026292853 HC Annotated Reactive CCc1ccc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)nc1 ZINC000026292859 HC Annotated Reactive CCc1ccc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)nc1 ZINC000026292864 HC Annotated Reactive CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)nc1 ZINC000026292869 HC Annotated Reactive CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)NC1 ZINC000026293193 HC Annotated Reactive CC[C@@H]1CC[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)NC1 ZINC000026293198 HC Annotated Reactive CC[C@@H]1CC[C@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)NC1 ZINC000026293203 HC Annotated Reactive CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)NC1 ZINC000026293208 HC Annotated Reactive Cc1ccc(S(=O)(=O)N(CCCl)N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000026295662 HC Annotated Reactive CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N1 ZINC000026296084 HC Annotated Reactive CC[C@@H]1CCC[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N1 ZINC000026296090 HC Annotated Reactive CC[C@@H]1CCC[C@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N1 ZINC000026296094 HC Annotated Reactive CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N1 ZINC000026296099 HC Annotated Reactive CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N1 ZINC000026375565 HC Annotated Reactive CC[C@H]1CCC[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N1 ZINC000026375567 HC Annotated Reactive CC[C@H]1CCC[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N1 ZINC000026375568 HC Annotated Reactive CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N1 ZINC000026375570 HC Annotated Reactive CCCc1ccnc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1 ZINC000026375757 HC Annotated Reactive CCCc1ccnc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1 ZINC000026375759 HC Annotated Reactive CCCc1ccnc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000026375761 HC Annotated Reactive CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000026375763 HC Annotated Reactive CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 ZINC000026375819 HC Annotated Reactive CC[C@H]1CCN(C)[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 ZINC000026375821 HC Annotated Reactive CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 ZINC000026376057 HC Annotated Reactive CCC[C@H]1CCN[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 ZINC000026376059 HC Annotated Reactive CCC[C@H]1CCN[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000026376061 HC Annotated Reactive CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000026376062 HC Annotated Reactive CCc1cccc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)n1 ZINC000026376368 HC Annotated Reactive CCc1cccc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)n1 ZINC000026376370 HC Annotated Reactive CCc1cccc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)n1 ZINC000026376372 HC Annotated Reactive CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)n1 ZINC000026376374 HC Annotated Reactive CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 ZINC000026376429 HC Annotated Reactive CC[C@@H]1CCN(C)[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 ZINC000026376431 HC Annotated Reactive CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(C)c2=O)CC1 ZINC000026381547 HC Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2nnn(C)c2=O)CC1 ZINC000026382714 HC Annotated Anodyne CCCCn1c(=O)c2c(ncn2[C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n(CCCC)c1=O ZINC000026388533 HC Annotated Anodyne Cn1c(=O)c2c(ncn2COC(=O)c2cccc(CN3CCOCC3)c2)n(C)c1=O ZINC000026495876 HC Annotated Anodyne O=C(NCC1CCNCC1)[C@@H]1CC[C@H]2[C@@H](OCc3ccccc3)C[C@H](O)C(=O)N12 ZINC000026499254 HC Annotated Anodyne C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)[C@@H]3C(N)=NC=N[C@@H]32)C1 ZINC000261087814 HC Annotated Mild C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)[C@@H]3C(N)=NC=N[C@H]32)C1 ZINC000261087815 HC Annotated Mild C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)[C@H]3C(N)=NC=N[C@@H]32)C1 ZINC000261087816 HC Annotated Mild C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)[C@H]3C(N)=NC=N[C@H]32)C1 ZINC000261087817 HC Annotated Mild CO[C@@H]1C[C@]23[C@@H]4C[C@@H](C(C)(C)C)[C@]25[C@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000261123577 HC Annotated Anodyne CO[C@@H]1C[C@]23[C@@H]4C[C@@H](C(C)(C)C)[C@]25[C@@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000261123578 HC Annotated Anodyne CS(=O)(=O)NCCN([C@H]1CCN2CCc3ccccc3[C@H]2C1)S(C)(=O)=O ZINC000261179642 HC Annotated Anodyne in-vitro CCCN1CCS(=O)(=O)N(Cc2cn(Cc3ccccc3)nn2)[C@@H](C(=O)OC)C1 ZINC000263590833 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@@H]3[C@H]([C@@H]4C=C[C@H]3[C@@H]3C(=O)N(C(=O)OCC)C(=O)[C@H]43)[C@H]2C1=O ZINC000263596465 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(C(=O)OCC)C(=O)[C@H]21 ZINC000263596466 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1[C@@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)N(C(=O)OCC)C(=O)[C@@H]21 ZINC000263596467 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1[C@H]3[C@@H]2C(=O)N(C(=O)OCC)C(=O)[C@@H]21 ZINC000263596468 HC Annotated Anodyne C[N@+]1(Cc2ccc(C(=O)NCCO)cc2)CCC[C@@H](NC(=O)CCCC(=O)O)C1 ZINC000263614530 HC Annotated Bother in-vitro C[N@@+]1(Cc2ccc(C(=O)NCCO)cc2)CCC[C@@H](NC(=O)CCCC(=O)O)C1 ZINC000263614531 HC Annotated Bother in-vitro C[N@+]1(Cc2ccc(C(=O)NCCO)cc2)CCC[C@H](NC(=O)CCCC(=O)O)C1 ZINC000263614532 HC Annotated Bother in-vitro C[N@@+]1(Cc2ccc(C(=O)NCCO)cc2)CCC[C@H](NC(=O)CCCC(=O)O)C1 ZINC000263614533 HC Annotated Bother in-vitro CNc1nc2c(CC[C@H]3O[C@@H](OC)[C@H](O)[C@@H]3OC)c3nc(N)nc(O)c3cc2[nH]1 ZINC000263620254 HC Annotated Anodyne CNc1nc2c(CC[C@H]3O[C@@H](OC)[C@H](OC)[C@@H]3O)c3nc(N)nc(O)c3cc2[nH]1 ZINC000263621236 HC Annotated Anodyne CC(=O)O[C@]1(C)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@@H]4C)[C@]23O ZINC000263636180 HC Annotated Bother CC(=O)O[C@]1(C)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@H]4C)[C@]23O ZINC000263636181 HC Annotated Bother CC(=O)O[C@]1(C)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@H]4C)[C@@]23O ZINC000263636182 HC Annotated Bother CC(=O)O[C@]1(C)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@@H]4C)[C@@]23O ZINC000263636183 HC Annotated Bother O=c1[nH]c2cc(C(F)(F)F)cc(CN3CCOCC3)c2n(CP(=O)(O)O)c1=O ZINC000026572675 HC Annotated Anodyne CN(C)CC[S@@](=O)c1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)s1 ZINC000026576856 HC Annotated Anodyne CN(C)CC[S@](=O)c1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)s1 ZINC000026576857 HC Annotated Anodyne O=C(O)COc1ccc(C(=O)CNC(=O)CC2CCNCC2)cc1OCC(=O)O ZINC000026578686 HC Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CNC(Nc2nc3ccccc3s2)=NC1=O ZINC000026579372 HC Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CNC(Nc2nc3ccccc3s2)=NC1=O ZINC000026579373 HC Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CNC(Nc2ccc3ccccc3n2)=NC1=O ZINC000026640737 HC Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CNC(Nc2ccc3ccccc3n2)=NC1=O ZINC000026640743 HC Annotated Anodyne CC(=O)N/C=C\SC1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)O)[C@H]2C1 ZINC000026657052 HC Annotated Anodyne COc1ccccc1OCCN[C@@H](C)C(=O)N1CCCOc2c1cnn(C)c2=O ZINC000026726841 HC Annotated Anodyne COc1ccccc1OCCN[C@H](C)C(=O)N1CCCOc2c1cnn(C)c2=O ZINC000026726846 HC Annotated Anodyne COc1ccccc1OCCNCCC(=O)N1CCCOc2c1cnn(C)c2=O ZINC000026730169 HC Annotated Anodyne CN(C)c1ncnc2c1ncn2CCCCCOC(=O)N[C@@H](CCCN)C(=O)O ZINC000026731922 HC Annotated Anodyne CN(C)c1ncnc2c1ncn2CCCCCOC(=O)N[C@H](CCCN)C(=O)O ZINC000026731926 HC Annotated Anodyne C=CCOc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)c(F)c1 ZINC000026737404 HC Annotated Mild C=CCOc1ccc(/C=C(/C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1C ZINC000026737798 HC Annotated Mild C=CCOc1ccc(/C=C(/C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1NC ZINC000026739030 HC Annotated Mild C=CCOc1c(C)cc(/C=C(/C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1C ZINC000026740641 HC Annotated Mild C=CCOc1ccc(/C=C(/C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1F ZINC000026742874 HC Annotated Mild O=P(O)(O)OC[C@H]1CC[C@@H](COP(=O)(O)O)[C@H](COP(=O)(O)O)C1 ZINC000026826720 HC Annotated Anodyne O=P(O)(O)OC[C@H]1CC[C@@H](COP(=O)(O)O)C[C@H]1COP(=O)(O)O ZINC000026826725 HC Annotated Anodyne O=P(O)(O)OC[C@H]1CC[C@H](COP(=O)(O)O)[C@H](COP(=O)(O)O)C1 ZINC000026826730 HC Annotated Anodyne CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CO[C@]2(COC(C)(C)O2)[C@@]1(OC)[C@@]1(C)CO1 ZINC000026832952 HC Annotated Reactive CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CO[C@]2(COC(C)(C)O2)[C@@]1(OC)[C@]1(C)CO1 ZINC000026832956 HC Annotated Reactive COCCNC(=O)[C@@H]1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)=NO1 ZINC000026833283 HC Annotated Anodyne COCCNC(=O)[C@H]1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)=NO1 ZINC000026833287 HC Annotated Anodyne CN(CC(=O)O)NC(=O)C[C@H](N)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000026837333 HC Annotated Reactive CN(CC(=O)O)NC(=O)C[C@H](N)Cc1csc(CNC(=O)OC(C)(C)C)n1 ZINC000026837444 HC Annotated Reactive CN(CC(=O)O)NC(=O)C[C@H](N)Cc1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000026840058 HC Annotated Reactive CN(Cc1nc2nnccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026939587 HC Annotated Anodyne CN(Cc1nc2ncncc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026942779 HC Annotated Anodyne CN[C@H]1CN(c2nc3c(cc2F)c(=O)c(CO)cn3-c2nccs2)C[C@@H]1OC ZINC000026952253 HC Annotated Anodyne CC1(C)O[C@H]2[C@H](COC[C@@H](O)CN3CCOCC3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026972781 HC Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC[C@@H](O)CN1CCOCC1 ZINC000026972790 HC Annotated Anodyne CC1(C)O[C@H]2[C@H](COC[C@H](O)CN3CCOCC3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026972799 HC Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC[C@H](O)CN1CCOCC1 ZINC000026972808 HC Annotated Anodyne COC(=O)CS(=O)(=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000026990970 HC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)C[C@@H](N)C(=O)O)CC(=O)O1 ZINC000026998382 HC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)C[C@@H](N)C(=O)O)CC(=O)O1 ZINC000026998387 HC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)C[C@H](N)C(=O)O)CC(=O)O1 ZINC000026998392 HC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)C[C@H](N)C(=O)O)CC(=O)O1 ZINC000026998398 HC Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C=C(C(C)=O)C(C)=O)OC(C)=O ZINC000027077518 HC Annotated Mild CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C=C(C(C)=O)C(C)=O)OC(C)=O ZINC000027077524 HC Annotated Mild CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=C(C(C)=O)C(C)=O)OC(C)=O ZINC000027077531 HC Annotated Mild CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=C(C(C)=O)C(C)=O)OC(C)=O ZINC000027077537 HC Annotated Mild C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)C[C@@H](O)CO)CC(=O)O1 ZINC000027079206 HC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)C[C@@H](O)CO)CC(=O)O1 ZINC000027079212 HC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)C[C@H](O)CO)CC(=O)O1 ZINC000027079219 HC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)C[C@H](O)CO)CC(=O)O1 ZINC000027079224 HC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)I ZINC000027106022 HC Annotated Anodyne CO[C@H]1N([C@H]2C[C@@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)I ZINC000027106025 HC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)I ZINC000027106028 HC Annotated Anodyne CO[C@@H]1N([C@@H]2C[C@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@@]1(C)I ZINC000027182649 HC Annotated Anodyne CN(C)C(=O)/C=C/C1=CN2C(=O)c3cc4c(cc3N[C@H](S(=O)(=O)O)[C@@H]2C1)OCO4 ZINC000027211105 HC Annotated Anodyne CN(C)C(=O)/C=C/C1=CN2C(=O)c3cc4c(cc3N[C@@H](S(=O)(=O)O)[C@@H]2C1)OCO4 ZINC000027211109 HC Annotated Anodyne COCC1(COC)Oc2ccc([N+](=O)[O-])cc2[C@@H](Nc2ccc(=O)n(C)n2)[C@@H]1O ZINC000027304606 HC Annotated Bother CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CNC4CC4)nc3)[C@H]12 ZINC000027309235 HC Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CNC4CC4)nc3)[C@H]12 ZINC000027309239 HC Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CNC4CC4)nc3)[C@@H]12 ZINC000027309244 HC Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CNC4CC4)nc3)[C@@H]12 ZINC000027309247 HC Annotated Anodyne CC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)[C@@H]2S(=O)(=O)[C@@H]1Sc1nnnn1C ZINC000027323105 HC Annotated Reactive [N-]=[N+]=N[C@H](CI)c1cn(CCC(CO)CO)c(=O)[nH]c1=O ZINC000027418726 HC Annotated Reactive [N-]=[N+]=N[C@@H](CI)c1cn(CCC(CO)CO)c(=O)[nH]c1=O ZINC000027418731 HC Annotated Reactive CS(=O)(=O)OC[C@@H]1CN(S(C)(=O)=O)c2cc(O)c(Br)cc21 ZINC000027419028 HC Annotated Mild CS(=O)(=O)OC[C@H]1CN(S(C)(=O)=O)c2cc(O)c(Br)cc21 ZINC000027419032 HC Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)[C@H](Cc3ccccc3)C(N)=O)S[C@H]12 ZINC000027421412 HC Annotated Anodyne O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(O)c1O)C(=O)O)c1cccc(O)c1O ZINC000027556604 HC Annotated Clean O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1cccc(O)c1O)C(=O)O)c1cccc(O)c1O ZINC000027556606 HC Annotated Clean C/C(=C\c1ccc(O[C@@H]2O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)c(O)c1)C(=O)N[C@@H]1CCC[C@@H]1O ZINC000027618299 HC Annotated Anodyne C/C(=C\c1ccc(O[C@@H]2O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)c(O)c1)C(=O)N[C@@H]1CCC[C@H]1O ZINC000027620028 HC Annotated Anodyne NCCn1nc2c3c(c(NCCN(CCO)CCO)ccc31)C(=O)c1ccncc1-2 ZINC000027629757 HC Annotated Clean CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000027641298 HC Annotated Anodyne CC(=O)OC[C@]12C[C@H](OC(C)=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027642623 HC Annotated Anodyne CC(=O)OC[C@]12C[C@H](OC(C)=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000027642629 HC Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000027644990 HC Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)[C@H](O)C[C@]3(COC(C)=O)[C@]1(C)[C@@]21CO1 ZINC000027652152 HC Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)[C@H](O)C[C@]3(COC(C)=O)[C@]1(C)[C@@]21CO1 ZINC000027652156 HC Annotated Mild CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000027656066 HC Annotated Reactive CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000027656068 HC Annotated Reactive C[C@H]1C(CN2C(=O)c3ccccc3S2(=O)=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000027735636 HC Annotated Anodyne COC(=O)[C@@H](C)[C@@H]1CC(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3C(=O)OC[C@@]123 ZINC000027767554 HC Annotated Mild COC(=O)[C@H](C)[C@@H]1CC(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3C(=O)OC[C@@]123 ZINC000027767560 HC Annotated Mild O=C(Nc1cc(C(F)(F)F)cc(NC(=O)c2nnn[nH]2)c1Cl)c1nnn[nH]1 ZINC000027855205 HC Annotated Anodyne O=C1c2ccncc2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21 ZINC000027894529 HC Annotated Clean CC(=O)NCCNc1ccc(NCCNC(C)=O)c2c1C(=O)c1ccncc1C2=O ZINC000027903516 HC Annotated Clean CN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC(=O)C3CC3)cn2C)cn1C ZINC000027983576 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000027984997 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@@]1(O)[C@@H](C[C@@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000027985003 HC Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nc(C)n(N)c2=O)CC1 ZINC000027988197 HC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(NS(C)(=O)=O)n3)c(F)c2)C(=O)O1 ZINC000028019675 HC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](c4cc(CO)on4)C3)[C@H](C)[C@H]12 ZINC000028091179 HC Annotated Anodyne O=C(Cn1cnc([N+](=O)[O-])c1I)NCc1ccc[n+]([O-])c1 ZINC000028092214 HC Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H]([C@@H]4CC[N+](C)(C)O4)C3)[C@H](C)[C@H]12 ZINC000028096805 HC Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H]([C@H]4CC[N+](C)(C)O4)C3)[C@H](C)[C@H]12 ZINC000028096810 HC Annotated Bother CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3NC(=O)CNC(=O)c1cccnc1 ZINC000028100251 HC Annotated Mild Cc1c(SC2CCCCC2)n(COCNC(=O)CP(=O)(O)O)c(=O)[nH]c1=O ZINC000028129695 HC Annotated Anodyne C[C@@H](N)C(=O)N[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)[C@@H]1C ZINC000028227450 HC Annotated Anodyne C[C@H]1[C@H](NC(=O)[C@@H](C)N)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000028227455 HC Annotated Anodyne C[C@H](N)C(=O)N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)[C@H]1C ZINC000028229127 HC Annotated Anodyne CCCCn1c(=O)[nH]c(=O)c2c1ncn2S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000028241941 HC Annotated Anodyne O=S(=O)(NC1Cc2ccccc2C1)NS(=O)(=O)NC1Cc2ccccc2C1 ZINC000028245168 HC Annotated Anodyne Cn1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c2oc(C(=O)Nc3nnn[nH]3)cc(=O)c21 ZINC000028249023 HC Annotated Bother CN1CCN(c2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCN(C)CC3)n2)CC1 ZINC000028341842 HC Annotated Bother C=CCNC(=S)N/N=C1\C(=O)N(CN2CCCOC2)c2ccc([N+](=O)[O-])cc21 ZINC000028651535 HC Annotated Mild CSc1c2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn2c[n+]1CCN ZINC000028652856 HC Annotated Anodyne C[C@@H]1CC(=O)[C@@H](O)[C@]2(O1)O[C@@H]1CC(=O)O[C@@H]1C1=C2C(=O)c2c(O)cccc2C1=O ZINC000028712044 HC Annotated Mild C[C@@H]1C[C@H](O)[C@@H](O)[C@]2(O1)O[C@@H]1CC(=O)O[C@@H]1C1=C2C(=O)c2c(O)cccc2C1=O ZINC000028712047 HC Annotated Mild C[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(O[C@H](CC(=O)O)CC3=C2C(=O)c2c(O)cccc2C3=O)O1 ZINC000028712048 HC Annotated Mild CNCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758001 HC Annotated Clean O=C1c2c(NCCNCCO)cccc2-c2nn(CCNCCO)c3cccc1c23 ZINC000028758498 HC Annotated Clean C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@@H]2OC(=O)N2CCC(C(=O)O)CC2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028759094 HC Annotated Anodyne C[C@H]1O[C@@H](O[C@@H]2CCCC[C@@H]2OC(=O)N2CCC(C(=O)O)CC2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028759096 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OC(=O)N2CCC(C(=O)O)CC2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028759098 HC Annotated Anodyne C[C@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OC(=O)N2CCC(C(=O)O)CC2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028759100 HC Annotated Anodyne CS(=O)(=O)/N=C(\O)Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)O)cn12 ZINC000028760399 HC Annotated Mild C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@@H]2OCCCCC(C(=O)O)C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028760988 HC Annotated Anodyne C[C@H]1O[C@@H](O[C@@H]2CCCC[C@@H]2OCCCCC(C(=O)O)C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028760989 HC Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OCCCCC(C(=O)O)C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028760991 HC Annotated Anodyne C[C@H]1O[C@H](O[C@@H]2CCCC[C@@H]2OCCCCC(C(=O)O)C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028760993 HC Annotated Anodyne Nc1nc(=O)n([C@@H]2CSC3(COP(=O)(O)OC3)O2)cc1Br ZINC000028771980 HC Annotated Anodyne Nc1nc(=O)n([C@H]2CSC3(COP(=O)(O)OC3)O2)cc1Br ZINC000028771983 HC Annotated Anodyne COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O ZINC000028816935 HC Annotated Reactive COC(=O)CSc1nnc(Cc2csc(NCCC(=O)O)n2)n1NC(C)=O ZINC000028816940 HC Annotated Anodyne CCCCCCN(CCCCCC)S(=O)(=O)[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O ZINC000028821323 HC Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-] ZINC000028948291 HC Annotated Anodyne O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000028963513 HC Annotated Bother COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccccn2)N(CCO)[C@@H]1c1ccccn1 ZINC000028970659 HC Annotated Anodyne COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2ccccn2)N(CCO)[C@H]1c1ccccn1 ZINC000028970665 HC Annotated Anodyne COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccccn2)N(CCO)[C@@H]1c1ccccn1 ZINC000028970668 HC Annotated Anodyne COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H](c2ccccn2)N(CCO)[C@@H]1c1ccccn1 ZINC000028970674 HC Annotated Anodyne CS[C@H]1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]2CCC2CC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000029048414 HC Annotated Reactive CS[C@H]1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]2CCC(C)C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000029048509 HC Annotated Reactive CCCCC[C@H]1CN[C@@H]1C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O ZINC000029048518 HC Annotated Reactive CCCC[C@H]1CN[C@@H]1C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O ZINC000029048598 HC Annotated Reactive CCCC[C@H]1CN(C)[C@@H]1C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O ZINC000029050601 HC Annotated Reactive O=C(O)CNC(=O)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 ZINC000029061361 HC Annotated Anodyne Cc1cccc(NC(=O)[C@@H]2C[C@H](NC(=O)CCCCCN/C(N)=N/[N+](=O)[O-])CN2)c1 ZINC000029124830 HC Annotated Mild Cn1cnc(S(=O)(=O)N[C@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000029128550 HC Annotated Mild Cn1cnc(S(=O)(=O)N[C@@H]2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1 ZINC000029128551 HC Annotated Mild Cc1nsc(N2CCN(C(=O)[C@H]3C[C@@H](C(=O)N4CCSC4)N[C@H]3C)CC2)n1 ZINC000029130369 HC Annotated Anodyne CC(C)c1nsc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000029130496 HC Annotated Anodyne CCCc1nsc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000029130501 HC Annotated Anodyne O=NN(CCCl)C(=O)NCC[C@H](SCC(=O)O)n1cc(F)c(=O)[nH]c1=O ZINC000029207989 HC Annotated Reactive O=NN(CCCl)C(=O)NCC[C@@H](SCC(=O)O)n1cc(F)c(=O)[nH]c1=O ZINC000029207993 HC Annotated Reactive C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](Cc4c[n+](C)cn4C)C3)[C@H](C)[C@H]12 ZINC000029208318 HC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](Cc4n(C)cc[n+]4C)C3)[C@H](C)[C@H]12 ZINC000029211081 HC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](Cc4cn(C)[n+](C)c4)C3)[C@H](C)[C@H]12 ZINC000029213218 HC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](Cc4cc[n+](C)n4C)C3)[C@H](C)[C@H]12 ZINC000029214708 HC Annotated Anodyne C=CCOc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1F ZINC000029320279 HC Annotated Mild CCCCOc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1O ZINC000029323379 HC Annotated Anodyne CCCCc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1O ZINC000029326685 HC Annotated Anodyne C=C[C@@H](C)Oc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1O ZINC000029327678 HC Annotated Mild C=C[C@H](C)Oc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1O ZINC000029327683 HC Annotated Mild C/C(=C\c1ccc(N2CCCC2)c(F)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029330145 HC Annotated Clean C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029330893 HC Annotated Clean C=C(C)COc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1O ZINC000029333898 HC Annotated Mild Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)Cc1ccc(Br)cc1 ZINC000029336436 HC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)Cc1ccc(Br)cc1 ZINC000029336440 HC Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(CN(CCO)CCO)cc(OC)c1C2=O ZINC000029342778 HC Annotated Clean C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CC[N+](C)(C)CC3)[C@H](C)[C@H]12 ZINC000029393824 HC Annotated Bother CC/C=C1\COc2cc(/C=C(\C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4OCO[C@H]4[C@@H]3O)ccc21 ZINC000029464885 HC Annotated Anodyne CCC[C@@H]1COc2cc(/C=C(\C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4OCO[C@H]4[C@@H]3O)ccc21 ZINC000029465753 HC Annotated Anodyne CCC[C@H]1COc2cc(/C=C(\C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4OCO[C@H]4[C@@H]3O)ccc21 ZINC000029465756 HC Annotated Anodyne CC/C=C1/COc2cc(/C=C(\C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4OCO[C@H]4[C@@H]3O)ccc21 ZINC000029467237 HC Annotated Anodyne C=CCOc1cc2ccc(C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4OCO[C@H]4[C@@H]3O)cc2cc1O ZINC000029471091 HC Annotated Mild CN(CCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O)S(C)(=O)=O ZINC000029475503 HC Annotated Anodyne NC(N)=Nc1nc(CSCC/C(N)=N/S(=O)(=O)c2ccc(N)cc2)cs1 ZINC000029476741 HC Annotated Mild CCS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O ZINC000029481627 HC Annotated Anodyne CS(=O)(=O)NCCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O ZINC000029483514 HC Annotated Anodyne CN1Cc2cc(C(=O)NCCNc3cccc(N)n3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000029483983 HC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@H]2[C@H]1N=CN2COC(CO)CO ZINC000029484781 HC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@H]2[C@@H]1N=CN2COC(CO)CO ZINC000029484784 HC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@@H]2[C@H]1N=CN2COC(CO)CO ZINC000029484787 HC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@@H]2[C@@H]1N=CN2COC(CO)CO ZINC000029484791 HC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@H]2[C@H]1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000029485535 HC Annotated Anodyne CCS(=O)(=O)N(CCNS(C)(=O)=O)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000029487101 HC Annotated Anodyne CCC(=O)OC[C@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)[C@H](C)CC ZINC000029489944 HC Annotated Anodyne CCC(=O)OC[C@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)[C@@H](C)CC ZINC000029489947 HC Annotated Anodyne CCC(=O)OC[C@@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)[C@H](C)CC ZINC000029489949 HC Annotated Anodyne CCC(=O)OC[C@@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)[C@@H](C)CC ZINC000029489952 HC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(O[C@@H]3CCCN(C(=O)CO)C3)c(F)c2)C(=O)O1 ZINC000029544276 HC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(O[C@H]3CCCN(C(=O)CO)C3)c(F)c2)C(=O)O1 ZINC000029544279 HC Annotated Anodyne CCCC(=O)OC[C@@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)C(C)C ZINC000029546796 HC Annotated Anodyne CCCC(=O)OC[C@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)C(C)C ZINC000029546800 HC Annotated Anodyne CCC(=O)OC[C@@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)C(C)C ZINC000029547117 HC Annotated Anodyne CCC(=O)OC[C@H](CCn1cnc2c(O)nc(N)nc21)COC(=O)[C@@H](N)C(C)C ZINC000029547120 HC Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OC[C@@H](CCn1cnc2c(O)nc(N)nc21)COC(C)=O ZINC000029550898 HC Annotated Anodyne CC[C@@H](C)[C@H](N)C(=O)OC[C@H](CCn1cnc2c(O)nc(N)nc21)COC(C)=O ZINC000029550902 HC Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OC[C@H](CCn1cnc2c(O)nc(N)nc21)COC(C)=O ZINC000029550904 HC Annotated Anodyne CCN(Cc1ccccc1)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029554674 HC Annotated Mild CCN(Cc1ccccc1)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029554678 HC Annotated Mild CC(=O)N[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029564547 HC Annotated Mild CC(=O)N[C@@H](C(=O)N[C@H](C)CCc1ccccc1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029564551 HC Annotated Mild COC(=O)[C@H](C)N[P@](=O)(OC)OC[C@H]1C=C[C@@H](n2cc(C)c(O)nc2=O)O1 ZINC000299804537 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@@H]3[C@H]([C@@H]4CC[C@H]3[C@@H]3C(=O)N(C(=O)OCC)C(=O)[C@H]43)[C@H]2C1=O ZINC000299804545 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1[C@@H]2[C@@H]2CC[C@H]1[C@@H]1C(=O)N(C(=O)OCC)C(=O)[C@H]21 ZINC000299804546 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1[C@@H]2[C@H]2CC[C@@H]1[C@H]1C(=O)N(C(=O)OCC)C(=O)[C@@H]21 ZINC000299804547 HC Annotated Anodyne CCOC(=O)N1C(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C1=O)[C@@H]1[C@H]3[C@@H]2C(=O)N(C(=O)OCC)C(=O)[C@@H]21 ZINC000299804548 HC Annotated Anodyne CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1 ZINC000299804725 HC Annotated Reactive CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1 ZINC000299804726 HC Annotated Reactive CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC000299804727 HC Annotated Reactive CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000299804728 HC Annotated Reactive CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1 ZINC000299804729 HC Annotated Reactive CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC000299804730 HC Annotated Reactive CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000299804731 HC Annotated Reactive CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1 ZINC000299804732 HC Annotated Reactive CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@H]1CCCO1)[C@H]1Cc2cccc(O)c2C(=O)O1 ZINC000299806791 HC Annotated Anodyne CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCC[C@H](C)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000299809184 HC Annotated Mild CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1 ZINC000299810114 HC Annotated Reactive CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC000299810115 HC Annotated Reactive CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000299810116 HC Annotated Reactive CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1 ZINC000299810117 HC Annotated Reactive CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)O[C@@H]1C ZINC000299810325 HC Annotated Reactive CC(=O)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(=O)N(CCCl)N=O ZINC000299810326 HC Annotated Reactive CC(=O)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000299810327 HC Annotated Reactive C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@H]12 ZINC000299811242 HC Annotated Anodyne O=C1[C@H]2[C@@H]([C@H]3CC[C@H]2O3)S(=O)(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000299811707 HC Annotated Anodyne O=C1[C@@H]2[C@@H]([C@H]3CC[C@H]2O3)S(=O)(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000299811708 HC Annotated Anodyne COC(=O)C/C=C\[C@H](C)[C@H](C=NOC[C@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000299813898 HC Annotated Mild COC(=O)C/C=C\[C@H](C)[C@H](C=NOC[C@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)OC ZINC000299813899 HC Annotated Mild COC(=O)C/C=C/[C@H](C)[C@H](C=NOC[C@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O)OC ZINC000299813900 HC Annotated Mild COC(=O)C/C=C/[C@H](C)[C@H](C=NOC[C@H](O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)OC ZINC000299813901 HC Annotated Mild CO[C@@H]1[C@H](CN[N+](=O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000299815386 HC Annotated Anodyne CO[C@@H]1[C@H](CN[N+](=O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000299815388 HC Annotated Anodyne CO[C@@H]1[C@H](CN[N+](=O)C[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC)O[C@H]2OC(C)(C)O[C@H]21 ZINC000299815390 HC Annotated Anodyne CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1 ZINC000299816352 HC Annotated Reactive CO[C@@H]1O[C@H](Cn2c(C)nc(Br)c2Br)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299816846 HC Annotated Anodyne CO[C@@H]1O[C@H](Cn2c(C)nc(Br)c2Br)[C@H](O)[C@@H](O)[C@H]1O ZINC000299816847 HC Annotated Anodyne CO[C@@H]1O[C@H](Cn2c(C)nc(Br)c2Br)[C@H](O)[C@H](O)[C@H]1O ZINC000299816848 HC Annotated Anodyne O=S1(=O)CCc2nc(N/N=C/c3ccc(O)cc3O)nc(N3CCOCC3)c2C1 ZINC000299822244 HC Annotated Mild C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC1=C(O)C(=O)[C@](O)(CO)[C@H](O)[C@H]1O ZINC000299824138 HC Annotated Mild COC(=O)[C@@H](N)Cc1nc(I)[nH]c1I ZINC000299827619 HC Annotated Anodyne Nn1c(Cc2cccs2)nn(CC(=O)NNC(=S)Nc2ccccc2)c1=O ZINC000299828439 HC Annotated Reactive Nn1c(Cc2cccs2)nn(CC(=O)NNC(=S)Nc2ccc(F)cc2)c1=O ZINC000299829725 HC Annotated Reactive O=C(N[C@@H]1CON(CCOC(=O)c2cccc(O)c2O)C1=O)c1cccc(O)c1O ZINC000299829979 HC Annotated Clean O=C(NCCOC1=NOC[C@H]1NC(=O)c1cccc(O)c1O)c1cccc(O)c1O ZINC000299829996 HC Annotated Clean Cc1ccc(NC(=S)NNC(=O)Cn2nc(Cc3cccs3)n(N)c2=O)cc1 ZINC000299830735 HC Annotated Reactive CCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 ZINC000299846869 HC Annotated Anodyne CCOC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 ZINC000299846870 HC Annotated Anodyne CCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 ZINC000299846871 HC Annotated Anodyne CCOC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 ZINC000299846872 HC Annotated Anodyne CN(CCBr)[P@@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O ZINC000299847169 HC Annotated Reactive CN(CCBr)[P@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O ZINC000299847170 HC Annotated Reactive [BH3-][P+]1(CC[P@@+]([BH3-])(c2ccccc2)c2ccccc2OC)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1C ZINC000299847577 HC Annotated Reactive COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccncc3)n2)cc1)N1C(=O)C=CC1=O ZINC000299852320 HC Annotated Anodyne Cn1c(CCCC(=O)O)nc2ccc(N(CCO)CCOP(=O)(O)O)cc21 ZINC000299853135 HC Annotated Anodyne CN1CC(=O)N=C1NCCN(CCO)c1ccc2nc(CCCC(=O)O)n(C)c2c1 ZINC000299853450 HC Annotated Anodyne Cn1c(CCCC(=O)O)nc2ccc(N(CCO)CCSC[C@H](N)C(=O)O)cc21 ZINC000299853468 HC Annotated Anodyne Cn1c(CCCC(=O)O)nc2ccc(N(CCO)CCSC[C@@H](N)C(=O)O)cc21 ZINC000299853469 HC Annotated Anodyne Cn1c([C@@H](O)CCC(=O)O)nc2ccc(N(CCO)CCOP(=O)(O)O)cc21 ZINC000299853617 HC Annotated Anodyne Cn1c([C@H](O)CCC(=O)O)nc2ccc(N(CCO)CCOP(=O)(O)O)cc21 ZINC000299853618 HC Annotated Anodyne C[C@H](C#N)c1cc(C(=O)O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C#N)c1 ZINC000299854422 HC Annotated Mild C[C@@H](C#N)c1cc(C(=O)O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C#N)c1 ZINC000299854423 HC Annotated Mild C[C@H](C#N)c1cc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C#N)c1 ZINC000299854424 HC Annotated Mild C[C@@H](C#N)c1cc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C#N)c1 ZINC000299854425 HC Annotated Mild CC(=O)/C=C1\CC(=O)N(C[C@@H](O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]2O)c2ccccc2N1 ZINC000299857208 HC Annotated Mild CC(=O)/C=C1/CC(=O)N(C[C@@H](O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]2O)c2ccccc2N1 ZINC000299857211 HC Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c3cnccn3)C2)c1 ZINC000299873776 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c3cnccn3)C2)c1 ZINC000299873777 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c3cnccn3)C2)c1 ZINC000299873778 HC Annotated Anodyne CCN1C[C@]2(O)CC[C@H](OC)[C@@]34C5=C[C@H]([C@@H](OC)CC(=O)[C@@H](C[C@@H]23)[C@H]14)[C@H](OC)C5=O ZINC000299874552 HC Annotated Anodyne CCN1C[C@]2(O)CC[C@H](OC)[C@@]34C5=C[C@H]([C@@H](OC)CC(=O)[C@@H](C[C@@H]23)[C@H]14)[C@@H](OC)C5=O ZINC000299874553 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c3cnccn3)C2)c1 ZINC000299877677 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c3cnccn3)C2)c1 ZINC000299877678 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c3cnccn3)C2)c1 ZINC000299877679 HC Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2cnccn2)C1 ZINC000299880505 HC Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2cnccn2)C1 ZINC000299880506 HC Annotated Anodyne NC(=O)N/N=C/c1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O ZINC000003171762 HC Annotated Reactive CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O ZINC000030726602 HC Annotated Anodyne in-vitro N[C@@H](CC/C(O)=N/[C@@H](CS[C@@H](O)C(Cl)Cl)/C(O)=N/CC(=O)O)C(=O)O ZINC000030728733 HC Annotated Reactive in-man metabolite N[C@@H](CC/C(O)=N/[C@@H](CS[C@H](O)C(Cl)Cl)/C(O)=N/CC(=O)O)C(=O)O ZINC000030728737 HC Annotated Reactive in-man metabolite CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](NC(=O)N(CCCl)N=O)[C@@H]1OC(C)=O ZINC000031349924 HC Annotated Reactive O=C(CN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(CCO)CC1 ZINC000031871854 HC Annotated Anodyne CO[C@@H]1O[C@@H](Cn2c(C)nc(Br)c2Br)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000031899453 HC Annotated Anodyne CO[C@H]1O[C@@H](Cn2c(C)nc(Br)c2Br)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000031899456 HC Annotated Anodyne CO[C@@H]1O[C@H](Cn2c(C)nc(Br)c2Br)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000031899460 HC Annotated Anodyne CO[C@H]1O[C@H](Cn2c(C)nc(Br)c2Br)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000031899462 HC Annotated Anodyne CC(=O)O[C@H]1C=C2c3cc4c(cc3C(=O)N[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O)OCO4 ZINC000031998165 HC Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2c3cc4c(cc3C(=O)N[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O)OCO4 ZINC000031998204 HC Annotated Anodyne CSc1ncnc2c([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[nH]nc12 ZINC000032138110 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](OC(C)=O)CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@H]2O ZINC000032296439 HC Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@@H]([C@H]32)[C@@]2(C)[C@@H](O)[C@@H](O)CC(C)(C)[C@]12O ZINC000032296453 HC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC3=O)[C@H](O)CC[C@@]2(C)CO[C@H](OC(C)=O)[C@@H]12 ZINC000032303185 HC Annotated Mild in-vitro biogenic COC1=C/C(=C\c2c(N)n3nc(CC(=O)N4CCCC4)sc3nc2=O)C=CC1=O ZINC000033331175 HC Annotated Mild O=C(NCCCN1CCOCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000033669134 HC Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@@H](C)CCc1ccccc1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000033818934 HC Annotated Mild CC(=O)N[C@H](C(=O)N[C@H](C)CCc1ccccc1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000033818935 HC Annotated Mild CC(=O)O[C@H]1C=C[C@H](OCCO)[C@@](O)(COC(=O)c2ccccc2)[C@@H]1OC(C)=O ZINC000033829756 HC Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000033831577 HC Annotated Bother CC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]13C[C@@]2(C)O ZINC000033831971 HC Annotated Anodyne in-vitro biogenic COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@]4(O)[C@@]3(C)[C@H]([C@H](O)[C@@H](OC)[C@@]4(C)O)[C@@]2(C)C1=O ZINC000033833029 HC Annotated Mild in-vitro biogenic CCOc1ccccc1/C=N\NC(=O)c1nnn(-c2nonc2N)c1N1CCCC1 ZINC000033854315 HC Annotated Reactive CC[C@]12C=CCN3CC[C@]4(c5ccc(O)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32 ZINC000033913809 HC Annotated Anodyne in-vitro CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@]3(C[C@H]1C)O[C@@H]3C)C2=O ZINC000033954792 HC Annotated Mild in-man endogenous CC(=O)O[C@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@]3(C[C@H]1C)O[C@@H]3C)C2=O ZINC000033955038 HC Annotated Mild CC(=O)O[C@@]1(C)C(=O)OCC2=CCN(C)CC[C@@H](OC(=O)[C@@]3(C[C@H]1C)O[C@H]3C)C2=O ZINC000033955133 HC Annotated Mild Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)NC(=O)NC2=O)c2ccccc21 ZINC000034059563 HC Annotated Anodyne Cn1c(=O)n(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)NC(=O)NC2=O)c2ccccc21 ZINC000034059564 HC Annotated Anodyne CCn1nnn(CCN2CC[C@@H](N(C(=O)COC)c3ccccc3F)[C@H](C)C2)c1=O ZINC000034114400 HC Annotated Anodyne investigational CC(C)CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12 ZINC000034148717 HC Annotated Mild CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C ZINC000034149285 HC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000034167711 HC Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000034167712 HC Annotated Mild in-vitro biogenic CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034171145 HC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(=C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034171146 HC Annotated Mild C=C(CC/C=C(\C)C=O)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000034370162 HC Annotated Reactive C=C(CC/C=C(\C)CO)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000034370166 HC Annotated Mild CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@](O)(CO)C(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000034390802 HC Annotated Anodyne C[C@H](O)c1cccc2nc3c(C(=O)O[C@@H]4[C@@H](O)[C@H](C)O[C@@H](O)[C@H]4O)cccc3nc12 ZINC000034468981 HC Annotated Bother C[C@H](O)c1cccc2nc3c(C(=O)O[C@@H]4[C@H](O)O[C@@H](C)[C@H](O)[C@H]4O)cccc3nc12 ZINC000034468984 HC Annotated Bother C[C@H](O)c1cccc2nc3c(C(=O)O[C@@H]4[C@@H](O)O[C@@H](C)[C@H](O)[C@H]4O)cccc3nc12 ZINC000034468989 HC Annotated Bother CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)CC[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034576289 HC Annotated Anodyne CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@@H]2C[C@H](O)C(C)(C)[C@]21O)[C@H]3O ZINC000034576298 HC Annotated Anodyne in-vitro biogenic C=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12 ZINC000034661266 HC Annotated Mild NC(=O)c1ncc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000034821180 HC Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]3OC(=O)O[C@]3(CO)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000034892352 HC Annotated Mild CO[C@@H]1N([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)I ZINC000003589489 HC Annotated Anodyne CC(=O)Oc1ccc(-c2cn3c(O)c4ncn(COC(CO)CO)c4nc3n2)cc1 ZINC000003626339 HC Annotated Anodyne NC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)c[nH]c12 ZINC000003640112 HC Annotated Anodyne O=C1c2ccsc2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 ZINC000003781986 HC Annotated Clean CCCCCSC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000003795915 HC Annotated Anodyne O=c1c2c(O)cccc2n2nc(CNCCO)c3ccc(NCCNCCO)c1c32 ZINC000003800758 HC Annotated Bother CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN(C)C)C(=O)NC)P(=O)(O)O ZINC000003800953 HC Annotated Anodyne CCn1nnn(CCN2CC[C@H](N(C(=O)COC)c3ccccc3F)[C@H](C)C2)c1=O ZINC000003804917 HC Annotated Anodyne investigational C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)[C@@H](Cc3ccccc3)C(N)=O)S[C@H]12 ZINC000003805105 HC Annotated Anodyne O=C(O)COc1ccc(C(=O)CNC(=O)CCC2CCNCC2)cc1OCC(=O)O ZINC000003809377 HC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N3CCN(C)CC3)S[C@H]12 ZINC000003927514 HC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N3CC[N+](C)(C)CC3)S[C@H]12 ZINC000003927515 HC Annotated Bother COc1cc(C=O)cc2c1[C@@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O ZINC000003929454 HC Annotated Anodyne CCOC(=O)[C@H](CSC(=O)[C@H](C)NC(C)=O)NC(=O)C(C)(C)CO[N+](=O)[O-] ZINC000003944452 HC Annotated Anodyne investigational CC(=O)O[C@@H]1[C@@H]2CC[C@H]3[C@@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@]13C[C@@]2(C)O ZINC000003978483 HC Annotated Anodyne in-vitro CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1 ZINC000003993550 HC Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3coc(CN4CCCC4)n3)[C@@H]12 ZINC000003994493 HC Annotated Anodyne C=C[C@@](C)(O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035050063 HC Annotated Mild C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@H]12 ZINC000035075653 HC Annotated Anodyne O=C(C[C@@H]1CNCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000035270402 HC Annotated Anodyne O=C(C[C@H]1CNCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000035270406 HC Annotated Anodyne CCCCC[C@H]1OC2=C(C(=O)N(OC)[C@H]2CSC[C@H](O)C(=O)O)[C@@H](O)[C@]1(C)O ZINC000035458429 HC Annotated Anodyne CCCCC[C@@H]1OC2=C(C(=O)N(OC)[C@H]2CSC[C@H](O)C(=O)O)[C@@H](O)[C@]1(C)O ZINC000035458433 HC Annotated Anodyne CCCCC[C@H]1OC2=C(C(=O)N(OC)[C@H]2CSC[C@H](O)C(=O)O)[C@@H](O)[C@@]1(C)O ZINC000035458436 HC Annotated Anodyne CCCCC[C@@H]1OC2=C(C(=O)N(OC)[C@H]2CSC[C@H](O)C(=O)O)[C@@H](O)[C@@]1(C)O ZINC000035458441 HC Annotated Anodyne C=C[C@@](C)(O)CC/C=C(\C)CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035466047 HC Annotated Mild C=C[C@@](C)(O)C[C@@H](/C=C(\C)C/C=C/C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035796322 HC Annotated Mild CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CO)[C@H]([C@@H](O)C[C@@H]21)[C@H]3O ZINC000035817442 HC Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000036146020 HC Annotated Anodyne CCOC(=O)CC(Cc1ccc(NS(=O)(=O)O)cc1)(C(=O)OC)C(=O)OC ZINC000036179174 HC Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CC[C@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000036374535 HC Annotated Mild in-vitro biogenic C[C@H]1O[C@@H](OC(=O)C2=C[C@@H]3CC(C)(C)C[C@@]34[C@@H]2CC(=O)O[C@@H]4C)[C@@H](O)[C@@H](O)[C@H]1O ZINC000036374780 HC Annotated Anodyne C[C@@H]1O[C@@H](OC(=O)C2=C[C@@H]3CC(C)(C)C[C@@]34[C@@H]2CC(=O)O[C@@H]4C)[C@@H](O)[C@@H](O)[C@H]1O ZINC000036374783 HC Annotated Anodyne C[C@H]1O[C@@H](OC(=O)C2=C[C@@H]3CC(C)(C)C[C@@]34[C@@H]2CC(=O)O[C@@H]4C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000036374786 HC Annotated Anodyne C[C@@H]1O[C@@H](OC(=O)C2=C[C@@H]3CC(C)(C)C[C@@]34[C@@H]2CC(=O)O[C@@H]4C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000036374789 HC Annotated Anodyne C=CC[C@]1(C(=O)NCCN2CCOCC2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375961 HC Annotated Mild NCCCCCNC(=O)[C@@H]1C[C@@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@@H]1c1ccc(O)cc1 ZINC000036376783 HC Annotated Anodyne CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](C(=O)O)[C@H](c3ccc(O)cc3)N2C1=O ZINC000036376793 HC Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000036378311 HC Annotated Anodyne COCCN1C(=O)C2=C(C1=O)[C@@H]1N(C)c3ccccc3[C@@]13C[C@@H](CO)N(C(C)=O)C3=N2 ZINC000036381842 HC Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000036382186 HC Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 ZINC000036383509 HC Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 ZINC000036383510 HC Annotated Anodyne CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3CC[C@@H]12 ZINC000036387014 HC Annotated Reactive Cc1cnc(C(=O)[C@H](CO)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000036401857 HC Annotated Anodyne O=C(c1cccnc1)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377795129 HC Annotated Bother Cn1c(=C2C=CC(Cl)=CC2=NC(=N)N)ccc1=C1C=CC(Cl)=CC1=NN(N)N ZINC000377811240 HC Annotated Mild CCN(CC)[N+](=O)NOc1cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377813146 HC Annotated Bother O=C(O)CN[C@@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C(N4)C(=O)C3=NC=C4CCN2C1=C43 ZINC000377813287 HC Annotated Mild O=C(O)CN[C@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C(N4)C(=O)C3=NC=C4CCN2C1=C43 ZINC000377813288 HC Annotated Mild CCOC(=O)N1CCN([N+](=O)NOc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377813297 HC Annotated Bother CN(C)[N+](=O)NOc1cc(ON[N+](=O)N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377814554 HC Annotated Bother CN(C)[N+](=O)NOc1cc(ON[N+](=O)N2CCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377814558 HC Annotated Bother O=C(OCCF)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377815839 HC Annotated Bother C#CCOC(=O)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377815886 HC Annotated Mild CCOC(=O)N1CCN([N+](=O)NOc2cc(OC)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377837508 HC Annotated Bother COCCN1C(=O)C2=C(C1=O)[C@H]1N(C)c3ccccc3[C@@]13C[C@@H](CO)N(C(C)=O)C3=N2 ZINC000038142315 HC Annotated Anodyne CCCCCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000038150115 HC Annotated Mild CCCCCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O ZINC000038150118 HC Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CCC4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000038150262 HC Annotated Mild C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)OC)C(C)(C)O)[C@@H]12 ZINC000038190883 HC Annotated Anodyne CC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC000038192475 HC Annotated Reactive Cn1c(=O)c2c(-c3cc(F)ccc3Br)c(CN)c(=O)[nH]c2n(C)c1=O ZINC000038209784 HC Annotated Anodyne C=C[C@@](C)(O)C[C@@H](/C=C(\C)CC[C@@H](O)C(=C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038209963 HC Annotated Mild COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N[C@](CO)([C@@H](C)O)[C@@H]3C[C@H]1OC[C@H]23 ZINC000038231773 HC Annotated Anodyne CS(=O)(=O)Nn1c(O)nc2cc(C(F)(F)F)c(N3CCOCC3)cc2c1=O ZINC000038239272 HC Annotated Anodyne CO/C(C)=C1\C[C@@]2(OC1=O)[C@@H]1O[C@@H]1[C@@]1(O)[C@@H]3C(=O)O[C@@H]([C@H]3C(C)C)[C@@H](OC)[C@@]21C ZINC000038498014 HC Annotated Anodyne COc1cccc2c1[C@H](O)[C@@]13C=CC4=C(C(=O)[C@@H](O)[C@@H](C)[C@H]4OC(C)=O)[C@@]1(O3)C2=O ZINC000038498356 HC Annotated Mild O=C(C[n+]1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)C[n+]2ccccc2)cc1 ZINC000038732771 HC Annotated Reactive Cc1cnc(C(=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000038738918 HC Annotated Anodyne C[S@@](=O)C[C@](C)(O)[C@H]1OC(=O)C=C2[C@@]3(C)CC=C[C@]4(C)C(=O)O[C@@H]([C@@H]43)[C@H]3O[C@@]231 ZINC000038797683 HC Annotated Anodyne COC(=O)[C@]12CC[C@]3(C1)[C@@H]1N(CC[C@@]14c1cccc(OC)c1N[C@]24O)C[C@@H](O)[C@@H]3O ZINC000038861081 HC Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(Br)c(Br)n4[C@@H]3C[C@]21O ZINC000038900422 HC Annotated Anodyne CCCC[C@@H](O)/C=C/C(=O)O[C@H]1[C@H](C)OC(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](O)[C@@H]1C ZINC000038938528 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](OC(C)=O)[C@@]3(O)OC2 ZINC000038938848 HC Annotated Mild C=C(C(=O)OC)[C@@H]1[C@@H](OC(=O)/C(=C/C)CO)C[C@]2(C)[C@H]([C@H](C=O)CC[C@H]2O)[C@H]1O ZINC000038967979 HC Annotated Mild CC(C)=C1CC[C@]2(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@](C)(O)[C@H]2C1 ZINC000039062522 HC Annotated Anodyne Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)OC[C@H](O)[C@H](O)CO ZINC000039205537 HC Annotated Anodyne CN(C)CC(C)(C)CNC(=O)C1CCN(c2cc(N3CCOCC3)nc(N)n2)CC1 ZINC000039300848 HC Annotated Anodyne C=C1[C@@H](OC(C)=O)[C@]23C[C@@]1(O)CC[C@H]2[C@]12CO[C@H](CC1=O)C(C)(C)[C@H]2[C@H](O)C3=O ZINC000039350753 HC Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5ccc(O)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32 ZINC000004096378 HC Annotated Anodyne in-vitro CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000004097897 HC Annotated Anodyne in-vitro COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@](O)(C(=O)O)[C@](O)(CO)C2 ZINC000004098922 HC Annotated Clean in-vitro biogenic CCOCCCNC(=O)[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)c1ccc(Cl)cc1 ZINC000004118810 HC Annotated Anodyne CCOCCCNC(=O)[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)c1ccc(Cl)cc1 ZINC000004118811 HC Annotated Anodyne CCOCCCNC(=O)[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(Cl)cc1 ZINC000004118813 HC Annotated Anodyne CCOCCCNC(=O)[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(Cl)cc1 ZINC000004118814 HC Annotated Anodyne CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC ZINC000004162955 HC Annotated Anodyne CC(=O)NCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O ZINC000004436955 HC Annotated Anodyne CC(=O)NCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O ZINC000004436967 HC Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@@H]1[C@H](OC(=O)C(C)(C)O)[C@H](C(=C)C=O)[C@@]2(C)[C@@H]1CO1 ZINC000040395020 HC Annotated Reactive COC(=O)C[C@]1(O)C(=O)c2c(O)cc(O)cc2O[C@]1(OC)c1ccc(O)c(O)c1 ZINC000040395386 HC Annotated Clean C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000040412360 HC Annotated Mild in-vitro biogenic Nc1ncnc2c1nc(S(=O)(=O)CCP(=O)(O)O)n2CCc1ccccc1 ZINC000040413463 HC Annotated Anodyne CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H]1CCCO1)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000040423664 HC Annotated Anodyne CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H]1CCCO1)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000040423665 HC Annotated Anodyne CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H]1CCCO1)[C@H]1Cc2cccc(O)c2C(=O)O1 ZINC000040423666 HC Annotated Anodyne CC(C)(C)[C@H](NC(=O)n1c(=O)n(CC2(O)CCOCC2)c2ccccc21)C(N)=O ZINC000040425361 HC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCCN(C)S3(=O)=O)c(F)c2)C(=O)O1 ZINC000040425385 HC Annotated Anodyne O=C1CN(CCc2ncc[nH]2)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040429406 HC Annotated Mild O=C1CN(CCc2ncc[nH]2)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040429408 HC Annotated Mild COC(=O)c1cc(NC(=O)CI)cc(C(=O)NC(N)=O)c1 ZINC000040429967 HC Annotated Reactive CCN1CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)S1(=O)=O ZINC000040430133 HC Annotated Anodyne C[C@@H]1O[C@@H](N2C(=O)/C(=C3\Nc4ccccc4C3=O)c3ccccc32)[C@H](O)[C@H](O)[C@H]1O ZINC000040430230 HC Annotated Mild O=C1CN(CCN2CCCC2)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040430588 HC Annotated Mild O=C(CSc1cc(Cl)nc(Cl)c1)N[C@H]1CN(OS(=O)(=O)O)C1=O ZINC000040455237 HC Annotated Mild C[C@@H]1[C@H](NC(=O)CSc2cc(Cl)nc(Cl)c2)C(=O)N1OS(=O)(=O)O ZINC000040457031 HC Annotated Mild CC(=O)OC[C@H]1OC[C@@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000040465155 HC Annotated Reactive CC(=O)OC[C@@H]1OC[C@@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000040465156 HC Annotated Reactive COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC(=O)N1CCOCC1)N1CCOCC1 ZINC000040465497 HC Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CC(=O)N1CCOCC1)N1CCOCC1 ZINC000040465499 HC Annotated Anodyne CC(=O)NCCNc1ccc(NCCNC(C)=O)c2c1C(=O)c1cccnc1C2=O ZINC000040465516 HC Annotated Clean CO[C@@H]1N([C@@H]2C[C@@H](F)[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)I ZINC000040487288 HC Annotated Anodyne CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccc4c(c3)OCO4)C(=O)N2[C@H]1C(=O)O ZINC000040492183 HC Annotated Anodyne CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccc4c(c3)OCO4)C(=O)N2[C@@H]1C(=O)O ZINC000040492184 HC Annotated Anodyne CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H](O)[C@]1(O)[C@H](C[C@H](O)C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000040520509 HC Annotated Anodyne O=C(CCc1cnc2c(N3CCN(c4ncccn4)CC3)nccn12)N1CCOCC1 ZINC000040565710 HC Annotated Anodyne CN(C)S(=O)(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000040567299 HC Annotated Clean CO[C@H]1C[C@]23[C@H]4C[C@@H](C(C)(C)C)[C@@]25[C@@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000040584643 HC Annotated Anodyne CO[C@H]1C[C@]23[C@H]4C[C@@H](C(C)(C)C)[C@@]25[C@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000040584645 HC Annotated Anodyne CO[C@H]1C[C@]23[C@H]4C[C@@H](C(C)(C)C)[C@]25[C@@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000040584647 HC Annotated Anodyne CO[C@H]1C[C@]23[C@H]4C[C@@H](C(C)(C)C)[C@]25[C@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000040584649 HC Annotated Anodyne COC(=O)/C=C1\S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2C(C(=O)O)=C1C ZINC000040646214 HC Annotated Anodyne COC(=O)/C=C1\S[C@@H]2[C@@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2C(C(=O)O)=C1C ZINC000040646218 HC Annotated Anodyne C[C@H]1[C@H](NC(=O)CSc2cc(Cl)nc(Cl)c2)C(=O)N1OS(=O)(=O)O ZINC000040685095 HC Annotated Mild CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C=C(C(C)=O)C(C)=O)OC(C)=O ZINC000040698424 HC Annotated Mild CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C=C(C(C)=O)C(C)=O)OC(C)=O ZINC000040698427 HC Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)[C@H](O)C[C@]3(COC(C)=O)[C@]1(C)[C@]21CO1 ZINC000040719068 HC Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)[C@H](O)C[C@]3(COC(C)=O)[C@]1(C)[C@]21CO1 ZINC000040719070 HC Annotated Anodyne CCCc1c(O)n(Cc2cccs2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O ZINC000040791314 HC Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@@H](OC(C)=O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1[C@H](O)[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000040866440 HC Annotated Mild CCOC(=O)/C=C/C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000040900915 HC Annotated Mild COC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000040913458 HC Annotated Mild O=C(O[C@H]1C=C2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4)c1ccccc1 ZINC000040913760 HC Annotated Anodyne N[C@H]1NC(=O)/C(=C2/CCNC(=O)c3[nH]c(Br)c(Br)c32)N1 ZINC000040935022 HC Annotated Anodyne N[C@@H]1NC(=O)/C(=C2/CCNC(=O)c3[nH]c(Br)c(Br)c32)N1 ZINC000040935024 HC Annotated Anodyne CCC[C@H]1CN[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC000040940157 HC Annotated Reactive C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@@H]2O ZINC000040943379 HC Annotated Mild in-vitro biogenic CCOC(=O)/C=C\C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000040951858 HC Annotated Mild O=C1CN(CCN2CCCC2)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040952888 HC Annotated Mild COC(=O)[C@@H](N)CC(=O)NCCOc1ccc(C2=[N+]([O-])C(C)(C)C(C)(C)N2O)cc1 ZINC000040972628 HC Annotated Anodyne O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1O)C(P(=O)(O)O)P(=O)(O)O ZINC000040973484 HC Annotated Clean O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1O)C(P(=O)(O)O)P(=O)(O)O ZINC000040973486 HC Annotated Clean O=C1NC(=S)S[C@H]1[C@H](c1ccccc1O)C(P(=O)(O)O)P(=O)(O)O ZINC000040973488 HC Annotated Clean O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1O)C(P(=O)(O)O)P(=O)(O)O ZINC000040973489 HC Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(N3CC(C)(C)NS3(=O)=O)c(F)c2)C(=O)O1 ZINC000040974282 HC Annotated Anodyne C[C@@H]1O[C@H](N2C(=O)/C(=C3\Nc4ccccc4C3=O)c3ccccc32)[C@H](O)[C@H](O)[C@H]1O ZINC000040974421 HC Annotated Mild CCCCNCC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000042890072 HC Annotated Mild Cc1cccc(NC(=O)[C@H]2C[C@H](NC(=O)CCCCCN/C(N)=N/[N+](=O)[O-])CN2)c1 ZINC000042965688 HC Annotated Mild Cc1ccc(-c2nn(CC(=O)NNC(=S)Nc3ccc(F)cc3)c(=O)n2N)cc1 ZINC000043074378 HC Annotated Reactive CSC1=C(SC)C(=O)C2=C(C[C@H]3[C@H]4[C@H](C(=O)O)C[C@@H]([C@H]5OC[C@@H]2N35)N4C)C1=O ZINC000043100858 HC Annotated Mild Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCNCC2(C)C)cc1 ZINC000043169868 HC Annotated Anodyne Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CCNCC2(C)C)cc1 ZINC000043169870 HC Annotated Anodyne C#Cc1ccc(Nc2c(F)c(=O)n(C)c3ncn(C[C@@H](O)CO)c(=O)c23)c(F)c1 ZINC000043196551 HC Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043781078 HC Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCc4ccco4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000044118536 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCC[C@@H](C)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000044246949 HC Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCC[C@H](C)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000044246951 HC Annotated Mild CN1C(CCl)=N[C@H]2C(=O)C(C3=CC(=O)c4c(nc(CCl)n4C)C3=O)=CC(=O)[C@H]21 ZINC000044387038 HC Annotated Reactive CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@H](CC[C@H]2[C@@](C)(O)[C@@H]2[C@@H]4O[C@@H]4C(C)(C)[C@]21O)[C@](C)(O)C3 ZINC000044388387 HC Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004547195 HC Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004547200 HC Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004547203 HC Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004547206 HC Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cnccn2)C1 ZINC000004547387 HC Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cnccn2)C1 ZINC000004547390 HC Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cnccn2)C1 ZINC000004547394 HC Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2cnccn2)C1 ZINC000004547397 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCO)N(C(=O)c3cnccn3)C2)c1 ZINC000004548042 HC Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCO)N(C(=O)c3cnccn3)C2)c1 ZINC000004548045 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3cnccn3)C2)c1 ZINC000004548049 HC Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCO)N(C(=O)c3cnccn3)C2)c1 ZINC000004548057 HC Annotated Anodyne CCN(CC)CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000004554382 HC Annotated Anodyne CCN(CC)CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000004554384 HC Annotated Anodyne O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)N1CCC2(CC1)OCCO2 ZINC000004562772 HC Annotated Anodyne Cn1c(=O)c2cc(S(=O)(=O)N(CCO)Cc3ccccc3)ccc2n(C)c1=O ZINC000004969864 HC Annotated Anodyne CC(=O)/C=C1\CC(=O)N(C[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)c2ccccc2N1 ZINC000045194241 HC Annotated Mild O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2)NCCN1CCOCC1 ZINC000045194965 HC Annotated Anodyne O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)NCCN1CCOCC1 ZINC000045194968 HC Annotated Anodyne NS(=O)(=O)c1cccc(Nc2nc(N[C@@H]3CCNC3)nc3cc[nH]c(=O)c23)c1 ZINC000045228849 HC Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)CO[N+](=O)[O-])CO[C@H]12 ZINC000045244901 HC Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccnn3C)CO[C@H]12 ZINC000045253894 HC Annotated Anodyne O=C(CN1CCCN(C(=O)CNC(=O)c2ccco2)CC1)NCCc1ccccc1 ZINC000045259807 HC Annotated Anodyne CS(=O)(=O)N1C[C@@H]2c3cn[nH]c3C[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045286883 HC Annotated Anodyne COc1cc(O)cc2c1C(=O)c1c(cc(C)c(C(=O)OC[C@H](O)CO)c1O)C2=O ZINC000045303310 HC Annotated Clean CNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(c3ncccn3)C[C@H]2C)cn1 ZINC000045324098 HC Annotated Anodyne O=C(CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000045348785 HC Annotated Anodyne N=C1N[C@@]23CCCN2C(=O)c2cc(Br)c(Br)n2[C@]3(O)N1 ZINC000045365712 HC Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2cc(O)c3c(=O)c(NC(C)=O)coc3c2)OC1(C)C ZINC000045391273 HC Annotated Anodyne NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c(O)ncnc43)sc2c1 ZINC000473097844 HC Annotated Anodyne COC1=CC2(C=C(OC)C1=O)[C@@H]([C@@H](O)CO)O[C@H](c1ccc(O)c(OC)c1)[C@H]2CO ZINC000473104888 HC Annotated Mild COC1=CC2(C=C(OC)C1=O)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O[C@H]2[C@H](O)CO ZINC000473104889 HC Annotated Mild Nc1ncnc2c1cnn2CC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 ZINC000473107352 HC Annotated Anodyne OC[C@H]1C[C@@H](N=c2[nH]c(N=c3cc[nH]cc3)ncc2-c2nccs2)[C@H](O)[C@@H]1O ZINC000473107750 HC Annotated Anodyne COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2NC[C@](O)([C@@H](C)O)[C@@H]3C[C@H]1OC[C@H]23 ZINC000473108852 HC Annotated Anodyne COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2NC[C@](O)([C@H](C)O)[C@@H]3C[C@H]1OC[C@H]23 ZINC000473108853 HC Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]c23)c(-c2nnco2)n1 ZINC000473111497 HC Annotated Anodyne O=C([C@H](CO)N1C(=O)C[C@H](O)C1=O)N1C=CN(c2cccc(C(F)(F)F)c2)CC1 ZINC000473127108 HC Annotated Anodyne O=C([C@@H](CO)N1C(=O)C[C@H](O)C1=O)N1C=CN(c2cccc(C(F)(F)F)c2)CC1 ZINC000473127111 HC Annotated Anodyne O=C([C@H](CO)N1C(=O)C[C@@H](O)C1=O)N1C=CN(c2cccc(C(F)(F)F)c2)CC1 ZINC000473127113 HC Annotated Anodyne O=C([C@@H](CO)N1C(=O)C[C@@H](O)C1=O)N1C=CN(c2cccc(C(F)(F)F)c2)CC1 ZINC000473127115 HC Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)NCCc2cnnn2CCCO)cc1OC(C)=O ZINC000473136967 HC Annotated Anodyne COC1=C[C@H](O)C2=C(/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O)C1(F)F ZINC000473154888 HC Annotated Mild COC1=C[C@@H](O)C2=C(/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O)C1(F)F ZINC000473154889 HC Annotated Mild Cc1oc(=O)c2c(c1C)O[C@@]1(C)[C@H](C2)[C@@H](C)[C@]2(O)CC(=O)C(C)(C)C(=O)[C@@]2(O)[C@H]1O ZINC000473167317 HC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CC(=O)C(=O)N[C@H](C)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197585 HC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CC(=O)C(=O)N[C@@H](C)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197594 HC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CC(=O)C(=O)N[C@@H](C)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197597 HC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CC(=O)C(=O)N[C@H](C)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197601 HC Annotated Anodyne O=C(CO[N+](=O)[O-])NNC(=O)c1ccc(-n2nc(O)cc2-c2ccccc2O)cc1 ZINC000048999335 HC Annotated Reactive N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000049033411 HC Annotated Mild C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CNCCNc2ccccn2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000049088911 HC Annotated Anodyne C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CNCc2nc3ccccc3[nH]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000049089128 HC Annotated Anodyne CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCc2ccncc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000049114838 HC Annotated Anodyne O=C1N[C@H]2[C@@H]3NC(=O)c4cc(Br)c(Br)n4[C@@H]3C[C@@]2(O)N1 ZINC000049115823 HC Annotated Anodyne CC(=O)NCCOCCOCCNC(=O)Cc1cc(=O)oc2cc(N(C)C)ccc12 ZINC000049669981 HC Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@H]1CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2OC(=O)CN ZINC000049757406 HC Annotated Anodyne CNCC(=O)O[C@@H]1[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@@]23[C@H]2CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@]213 ZINC000049766953 HC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2C[C@H](O)C(C)(C)[C@H]4[C@H](O)OC[C@]234)[C@@H]1OC(C)=O ZINC000049792770 HC Annotated Mild C/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O ZINC000049803501 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(COC(C)=O)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000049807771 HC Annotated Mild CC(C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)NCCC[C@H](NC(=O)/C=C/C=C/C=O)C(=O)N1C ZINC000049808073 HC Annotated Reactive O=C(O)C[C@@H](NNc1nc(NCCO)nc(N2CCOCC2)n1)c1ccccc1 ZINC000049832477 HC Annotated Anodyne O=C(O)C[C@H](NNc1nc(NCCO)nc(N2CCOCC2)n1)c1ccccc1 ZINC000049832479 HC Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]([C@@H](C)CO)[C@@H](C)O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000049878525 HC Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]([C@H](C)O)[C@@H](C)CO)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000049878527 HC Annotated Anodyne CCn1nnn(CCN2CC[C@@H](N(C(=O)COC)c3ccccc3F)[C@@H](C)C2)c1=O ZINC000000597348 HC Annotated Anodyne investigational Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1S(=O)(=O)c1ccccc1 ZINC000000605560 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c3cnccn3)C2)c1 ZINC000000784896 HC Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c3cnccn3)C2)c1 ZINC000000786302 HC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@@H](F)[C@H](CO)O2)C(O)=NC(=O)[C@]1(C)I ZINC000000837738 HC Annotated Anodyne COCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000005028792 HC Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000005028798 HC Annotated Anodyne C[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000005028872 HC Annotated Anodyne C[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000005028876 HC Annotated Anodyne CC(=O)O[C@@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@@H](O)[C@@]1(C)O ZINC000005166464 HC Annotated Clean in-vitro COC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCOCCOCCOCCOCC1 ZINC000005354443 HC Annotated Anodyne COC(=O)[C@@H](C)C[C@H](C)C(=O)N1CCOCCOCCOCCOCCOCC1 ZINC000005354479 HC Annotated Anodyne COC(=O)[C@H](C)C[C@@H](C)C(=O)N1CCOCCOCCOCCOCCOCC1 ZINC000005357375 HC Annotated Anodyne COC(=O)[C@@H](C)C[C@@H](C)C(=O)N1CCOCCOCCOCCOCCOCC1 ZINC000005357405 HC Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O)[C@H](OC)[C@](C)(O)C3=O ZINC000005409497 HC Annotated Clean COC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(OC)cccc1C3=O ZINC000005437369 HC Annotated Clean CC(=O)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000005438861 HC Annotated Reactive CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000005438864 HC Annotated Reactive CC(=O)O[C@@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000005438866 HC Annotated Reactive C[C@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2CC=C1CC[C@@H](C)O[C@@H]1[C@H](CO)O[C@H](O)[C@@H](O)[C@@H]1O ZINC000523042083 HC Annotated Anodyne C[C@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2CC=C1CC[C@@H](C)O[C@@H]1[C@H](CO)O[C@H](O)[C@H](O)[C@H]1O ZINC000523042088 HC Annotated Anodyne C[C@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2CC=C1CC[C@@H](C)O[C@@H]1[C@H](CO)O[C@H](O)[C@H](O)[C@@H]1O ZINC000523042090 HC Annotated Anodyne C[C@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2CC=C1CC[C@@H](C)O[C@@H]1[C@H](CO)O[C@H](O)[C@@H](O)[C@H]1O ZINC000523042092 HC Annotated Anodyne C/C1=C\C[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)/C(C)=C/C[C@H]2[C@H](C1)OC(=O)[C@@H]2C ZINC000525914809 HC Annotated Anodyne NC1=NN=C(N)C1[C@H](CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000053122834 HC Annotated Anodyne NC1=NN=C(N)C1[C@@H](CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000053122835 HC Annotated Anodyne COc1cc(OC)c2c(c1)OC(CN1CCN(C)CC1)(CN1CCN(C)CC1)C2=O ZINC000053226765 HC Annotated Anodyne OC[C@H]1O[C@H]2C=C[C@H]3O[C@@H]4[C@@H](C[C@@H]3O[C@@H]2CC=C[C@@H]1O)O[C@H]1CC=CCO[C@@H]1[C@H]4O ZINC000053683162 HC Annotated Anodyne in-vivo CO[C@@H]1O[C@H](Cn2c(C)nc(Br)c2Br)[C@H](O)[C@H](O)[C@@H]1O ZINC000005544016 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](O)[C@@H]1CC[C@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000005664315 HC Annotated Mild CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@H]1O ZINC000005664819 HC Annotated Anodyne in-vitro COC1=C/C(=C/c2c(N)n3nc(CC(=O)N4CCCC4)sc3nc2=O)C=CC1=O ZINC000005701510 HC Annotated Mild Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCC(=O)NCCCn1ccnc1[N+](=O)[O-] ZINC000005724326 HC Annotated Bother C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)OC)C(C)(C)O)[C@H]12 ZINC000005725459 HC Annotated Anodyne COC(=O)C1=C(C(=O)OC)N(C(C)C)[C@H]2C(C(=O)OC)=C(C(=O)OC)N(C(C)C)[C@@H]12 ZINC000005732628 HC Annotated Anodyne O=C(CSc1nnc(O)[nH]c1=O)NNC(=O)c1cccc2nc3ccccc3nc12 ZINC000005801234 HC Annotated Reactive CO[C@@H]1O[C@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000005810564 HC Annotated Reactive CO[C@@H]1N([C@@H]2C[C@H](F)[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)I ZINC000005812490 HC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@H](F)[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)I ZINC000005823874 HC Annotated Anodyne Cc1cn([C@@H](CO)O[C@H](CO)CN(O)C2C3CC4CC(C3)CC2C4)c(=O)[nH]c1=O ZINC000005850584 HC Annotated Anodyne Cc1cn([C@@H](CO)O[C@@H](CO)CN(O)C2C3CC4CC(C3)CC2C4)c(=O)[nH]c1=O ZINC000005850589 HC Annotated Anodyne Cc1cn([C@H](CO)O[C@@H](CO)CN(O)C2C3CC4CC(C3)CC2C4)c(=O)[nH]c1=O ZINC000005850592 HC Annotated Anodyne CSC1=NC(=O)CCN1[C@@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005853773 HC Annotated Anodyne CC(=O)C1=C(O)[C@@H](O)[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O)C1=O ZINC000005855030 HC Annotated Mild in-vitro COC(=O)[C@H](COC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O ZINC000005856290 HC Annotated Anodyne COC(=O)[C@@H](COC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O ZINC000005856421 HC Annotated Anodyne CCN(C(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000005861639 HC Annotated Anodyne aggregator CCN(C(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000005861647 HC Annotated Anodyne aggregator N#C[C@@H](/C(=N/NC(=O)C(=O)NN)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005891377 HC Annotated Reactive N#C[C@H](/C(=N/NC(=O)C(=O)NN)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005891379 HC Annotated Reactive CCOC(=O)C(=[N+]=[N-])C(=O)[C@@]1(C(=O)OCC)CCN(C(=O)c2ccccc2)C1=O ZINC000005924382 HC Annotated Clean N/C(=N\CCO)c1ccc(N2CCCN(c3ccc(/C(N)=N/CCO)cc3)CC2)cc1 ZINC000005933144 HC Annotated Mild O=C(CCC1=NS(=O)(=O)c2cc(Br)cnc2N1)N1CCOCC1 ZINC000005978571 HC Annotated Anodyne Cc1nc(CN2CCN(c3nc4nonc4nc3N3CCOCC3)CC2)cs1 ZINC000055036942 HC Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)CC1 ZINC000055153314 HC Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)CC1 ZINC000055153316 HC Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@]4(O)[C@@]3(C)[C@H]([C@@H]3OCO[C@H]3[C@@]4(C)O)[C@@]2(C)C1=O ZINC000056874337 HC Annotated Mild in-vitro CN[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)c3c(c(C)c4cccc(O)c4c3O)C[C@@H]12 ZINC000584879849 HC Annotated Mild CNc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F ZINC000584905342 HC Annotated Mild CCN[C@@H]1CN(c2nc(N3CCCCC3)nc(N3CCO[C@H](NCC)C3)n2)CCO1 ZINC000058506802 HC Annotated Anodyne CCN[C@@H]1COCCN1c1nc(N2CCCCC2)nc(N2CCOC[C@H]2NCC)n1 ZINC000058511970 HC Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCc4ccco4)C3=O)N1C[C@H]1N[C@H]12 ZINC000058533436 HC Annotated Anodyne CO[C@H](C(=O)[C@@H](O)[C@H](C)O)[C@@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@H]1O ZINC000058555619 HC Annotated Anodyne O=C(O)c1cn(-c2nccs2)c2nc(N3C[C@@H]4NCCO[C@H]4C3)c(F)cc2c1=O ZINC000058563948 HC Annotated Anodyne CO[C@@H]1C[C@]23[C@@H]4C[C@@H](C(C)(C)C)[C@@]25[C@H](OC(=O)[C@@H]5OC(C)=O)O[C@@]3(C(=O)O1)C(=O)O4 ZINC000058566242 HC Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@H]1N[C@H]12 ZINC000058577355 HC Annotated Reactive Cc1cccc(NC(=O)[C@H]2C[C@@H](NC(=O)CCCCCN/C(N)=N/[N+](=O)[O-])CN2)c1 ZINC000058586305 HC Annotated Mild CC[C@@H](C)SC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000058615661 HC Annotated Anodyne CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)n1 ZINC000058644292 HC Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc(O)c1C2=O ZINC000058655477 HC Annotated Clean in-man COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2c1 ZINC000586892386 HC Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2c1 ZINC000586892397 HC Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2c1 ZINC000586892398 HC Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2c1 ZINC000586892399 HC Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)[C@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586893539 HC Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)[C@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586893540 HC Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)[C@@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586893541 HC Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586893542 HC Annotated Anodyne CN(Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928517 HC Annotated Mild CN(Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929738 HC Annotated Mild CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586931649 HC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586935153 HC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000586936074 HC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000586936093 HC Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c1OC ZINC000586936709 HC Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2cc1OC ZINC000586936776 HC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586936825 HC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586936838 HC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586939392 HC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586939393 HC Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 ZINC000586939596 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586939646 HC Annotated Mild COc1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2n1 ZINC000586939703 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586939769 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586940141 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586940362 HC Annotated Mild Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586940363 HC Annotated Anodyne COc1cncc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586940374 HC Annotated Mild COc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cn1 ZINC000586940389 HC Annotated Mild Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3c(N)ncnc3[nH]2)cc1 ZINC000586940390 HC Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586940415 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586940417 HC Annotated Mild COc1nccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586940436 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000586940484 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586940540 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586940579 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586940584 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586940596 HC Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586940635 HC Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3c(O)nc(N)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586940655 HC Annotated Bother N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586940673 HC Annotated Mild NNC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941033 HC Annotated Reactive COC(=O)c1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cn1 ZINC000586941061 HC Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(O)nc(O)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586941197 HC Annotated Bother O=S(=O)(NCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941254 HC Annotated Anodyne NS(=O)(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941603 HC Annotated Anodyne NS(=O)(=O)c1cccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941770 HC Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586941826 HC Annotated Anodyne Nc1nc(O)c2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2n1 ZINC000586942062 HC Annotated Anodyne COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586942127 HC Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2n1 ZINC000586942671 HC Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586942929 HC Annotated Anodyne CNS(=O)(=O)NCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586942961 HC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586944078 HC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586944407 HC Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586945563 HC Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586945565 HC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CC1 ZINC000586954833 HC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC1 ZINC000586954843 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccnc(O)c4[nH]3)CC2)CC1 ZINC000586954902 HC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2N)C1 ZINC000586954921 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cnncc4[nH]3)CC2)CC1 ZINC000586955323 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cncnc4[nH]3)CC2)CC1 ZINC000586955440 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cnnc(O)c4[nH]3)CC2)CC1 ZINC000586955448 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(N)ncc4[nH]3)CC2)CC1 ZINC000586955451 HC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC1 ZINC000586955463 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ccnc(N)c4[nH]3)CC2)CC1 ZINC000586955520 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4ncc[nH]c-4n3)CC2)CC1 ZINC000586955702 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c(N)ncnc4[nH]3)CC2)CC1 ZINC000586955736 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c[nH]c(=N)[nH]c-4n3)CC2)CC1 ZINC000586956043 HC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2N)C1 ZINC000586956064 HC Annotated Reactive CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2N)C1 ZINC000586956073 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c(O)ncnc4[nH]3)CC2)CC1 ZINC000586956079 HC Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c(N)ccnc4[nH]3)CC2)CC1 ZINC000586956112 HC Annotated Anodyne COc1ccc(Cc2nc3cnnc(O)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956791 HC Annotated Anodyne COc1ccc(Cc2nc3c[nH]c(=N)[nH]c-3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957028 HC Annotated Anodyne COc1ccc(Cc2nc3ccnc(N)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957196 HC Annotated Anodyne COc1ccc(Cc2nc3cc(N)ncc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957358 HC Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586958745 HC Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586960158 HC Annotated Mild O=C(NCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1cscn1 ZINC000587027534 HC Annotated Anodyne Cn1nc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(I)c1C(=O)O ZINC000587180030 HC Annotated Mild Cn1nc(-c2nc3c(O)nc(O)nc3[nH]2)c(I)c1C(=O)O ZINC000587180218 HC Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(C#N)c(C#N)[nH]c-2n1 ZINC000587180314 HC Annotated Mild Cn1nc(C(=O)O)c(I)c1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587181508 HC Annotated Anodyne Cn1nc(-c2nc3c(O)nc(N)nc3[nH]2)c(I)c1C(=O)O ZINC000587181509 HC Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587181639 HC Annotated Anodyne NNC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587182279 HC Annotated Reactive N#Cc1nc2nc(-c3nc(O)nc(O)c3I)[nH]c2nc1C#N ZINC000587182444 HC Annotated Mild N=c1[nH]c2nc(-c3nc(O)nc(O)c3I)nc-2c(Cl)[nH]1 ZINC000587182588 HC Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(O)nc(S)nc3[nH]2)n1 ZINC000587183146 HC Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(O)nc(S)nc3[nH]2)n1 ZINC000587184503 HC Annotated Anodyne N#Cc1nc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2nc1C#N ZINC000587184576 HC Annotated Mild Nc1nc(O)c2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2n1 ZINC000587184898 HC Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3nn(CC(=O)O)cc3I)nc2n1 ZINC000587184908 HC Annotated Anodyne N=c1[nH]c2nc(Cn3cc(I)c(C(=O)O)n3)nc-2c(Cl)[nH]1 ZINC000587185455 HC Annotated Anodyne O=C(O)c1nn(Cc2nc3c(O)nc(O)nc3[nH]2)cc1I ZINC000587185461 HC Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(O)nc(O)nc3[nH]2)n1 ZINC000587185475 HC Annotated Anodyne O=C(O)c1nn(Cc2nc3c(O)nc(S)nc3[nH]2)cc1I ZINC000587185749 HC Annotated Anodyne Nc1nc(O)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2n1 ZINC000587186165 HC Annotated Anodyne N#Cc1nc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2nc1C#N ZINC000587186465 HC Annotated Mild N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587217127 HC Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587217131 HC Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587217137 HC Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587217142 HC Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)O ZINC000587217304 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)O ZINC000587217310 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)O ZINC000587217311 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)O ZINC000587217312 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587217395 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587217398 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587217399 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587217401 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Br)ccnc2[nH]1 ZINC000587217436 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Br)ccnc2[nH]1 ZINC000587217439 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Br)ccnc2[nH]1 ZINC000587217441 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Br)ccnc2[nH]1 ZINC000587217443 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)ncc2[nH]1 ZINC000587217457 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)ncc2[nH]1 ZINC000587217458 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)ncc2[nH]1 ZINC000587217460 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)ncc2[nH]1 ZINC000587217461 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)O ZINC000587217943 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)O ZINC000587217948 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)O ZINC000587217949 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)O ZINC000587217950 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)O ZINC000587218056 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)O ZINC000587218063 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)O ZINC000587218065 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)O ZINC000587218066 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)O ZINC000587218081 HC Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)O ZINC000587218084 HC Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)O ZINC000587218086 HC Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)O ZINC000587218088 HC Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)O ZINC000587218147 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)O ZINC000587218150 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)O ZINC000587218153 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)O ZINC000587218158 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)cnc2[nH]1 ZINC000587218329 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Br)cnc2[nH]1 ZINC000587218330 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)cnc2[nH]1 ZINC000587218331 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Br)cnc2[nH]1 ZINC000587218332 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587218355 HC Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587218360 HC Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587218361 HC Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587218362 HC Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)O ZINC000587218411 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)O ZINC000587218412 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)O ZINC000587218413 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)O ZINC000587218414 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587218476 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587218485 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587218488 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587218489 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587218602 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587218614 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587218617 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587218619 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587218896 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587218898 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587218899 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587218900 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587219270 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587219272 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587219273 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587219274 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587219343 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587219345 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587219347 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587219349 HC Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2cc1OC ZINC000587219693 HC Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2cc1OC ZINC000587219694 HC Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2cc1OC ZINC000587219695 HC Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2cc1OC ZINC000587219696 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncc(Br)c2[nH]1 ZINC000587219822 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncc(Br)c2[nH]1 ZINC000587219824 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncc(Br)c2[nH]1 ZINC000587219826 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncc(Br)c2[nH]1 ZINC000587219827 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587219983 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587219988 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587219989 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587219990 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587220102 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587220108 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587220109 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587220110 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)O ZINC000587220722 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)O ZINC000587220723 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)O ZINC000587220724 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)O ZINC000587220725 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)O ZINC000587221136 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)O ZINC000587221139 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)O ZINC000587221140 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)O ZINC000587221141 HC Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1OC ZINC000587221401 HC Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1OC ZINC000587221402 HC Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1OC ZINC000587221403 HC Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1OC ZINC000587221405 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccnc(Br)c2[nH]1)C(=O)O ZINC000587221516 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccnc(Br)c2[nH]1)C(=O)O ZINC000587221518 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccnc(Br)c2[nH]1)C(=O)O ZINC000587221520 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccnc(Br)c2[nH]1)C(=O)O ZINC000587221521 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587221544 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587221545 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587221546 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587221547 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587221838 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587221839 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587221840 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587221841 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)O ZINC000587222314 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)O ZINC000587222316 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)O ZINC000587222317 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)O ZINC000587222319 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccnc(Br)c2[nH]1 ZINC000587222597 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccnc(Br)c2[nH]1 ZINC000587222598 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccnc(Br)c2[nH]1 ZINC000587222601 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccnc(Br)c2[nH]1 ZINC000587222603 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)O ZINC000587224033 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)O ZINC000587224035 HC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)O ZINC000587224037 HC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)O ZINC000587224038 HC Annotated Anodyne O=C(O)CNCCNCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587229259 HC Annotated Anodyne Nc1ncc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268419 HC Annotated Bother CS(=O)(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587271197 HC Annotated Bother COC(=O)c1ccnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587271711 HC Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587271868 HC Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587272126 HC Annotated Bother O=C1COc2cc3[nH]c([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)nc3cc2N1 ZINC000587272528 HC Annotated Bother COC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587273245 HC Annotated Bother NS(=O)(=O)c1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587273379 HC Annotated Bother Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@H](c2nc3ccccc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000587273489 HC Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587273921 HC Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587274931 HC Annotated Bother O=C1[C@H](O)C(=O)C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)[C@H]1O ZINC000587352699 HC Annotated Anodyne O=C1[C@H](O)C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@@H]1O ZINC000587352712 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)[C@@H](O)C(=O)[C@@H](O)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587352713 HC Annotated Anodyne O=C1[C@H](O)C(=O)C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@H]1O ZINC000587352714 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@@H](O)CO)C2=O)[C@H]1c1ccc(F)cc1 ZINC000587355487 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@@H](O)CO)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355495 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)O[C@H]([C@@H](O)CO)C2=O)[C@H]1c1ccc(F)cc1 ZINC000587355498 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)O[C@H]([C@@H](O)CO)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355501 HC Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587356301 HC Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587356302 HC Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587356304 HC Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587356306 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@H](O)CO)[C@@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587356570 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@H](O)CO)[C@@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587356571 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@H](O)CO)[C@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587356572 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@@H](O)CO)[C@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587356573 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587356574 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587356575 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@H](O)CO)[C@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587356576 HC Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)O[C@H]([C@@H](O)CO)[C@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587356577 HC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](O[C@H](C=O)CO)n1cnc3c(N)ncnc31)O2 ZINC000587392593 HC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](O[C@@H](C=O)CO)n1cnc3c(N)ncnc31)O2 ZINC000587392594 HC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O[C@@H](C=O)CO)n1cnc3c(N)ncnc31)O2 ZINC000587392595 HC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O[C@H](C=O)CO)n1cnc3c(N)ncnc31)O2 ZINC000587392596 HC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C2=C1NCCCN2CCP(=O)(O)O ZINC000587406423 HC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)C2=C1NCCCN2CCP(=O)(O)O ZINC000587406440 HC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C2=C1N(CCP(=O)(O)O)CCCN2 ZINC000587409718 HC Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)C2=C1N(CCP(=O)(O)O)CCCN2 ZINC000587409721 HC Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)C4=C1N(CCP(=O)(O)O)CCCN4)[C@@H](C2)C3=O ZINC000587447674 HC Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)C4=C1N(CCP(=O)(O)O)CCCN4)[C@@H](C2)C3=O ZINC000587447675 HC Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)C4=C1NCCCN4CCP(=O)(O)O)[C@@H](C2)C3=O ZINC000587449627 HC Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)C4=C1NCCCN4CCP(=O)(O)O)[C@@H](C2)C3=O ZINC000587449629 HC Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1)CC2=O ZINC000587480638 HC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1)CC2=O ZINC000587480652 HC Annotated Anodyne C[C@@]1(c2ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523901 HC Annotated Anodyne C[C@]1(c2ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523908 HC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587546467 HC Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587546484 HC Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587546485 HC Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587546486 HC Annotated Reactive CS(=O)(=O)N(c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)S(C)(=O)=O ZINC000587562488 HC Annotated Anodyne N[C@@H](CN1C=CC(=O)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)C(=O)O ZINC000587581050 HC Annotated Mild N[C@@H](CN1C=CC(=O)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)C(=O)O ZINC000587581056 HC Annotated Mild N[C@@H](CN1C=CC(=O)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)C(=O)O ZINC000587581057 HC Annotated Mild N[C@@H](CN1C=CC(=O)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)C(=O)O ZINC000587581058 HC Annotated Mild N[C@@H](CN1C=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C1)C(=O)O ZINC000587581092 HC Annotated Anodyne N[C@@H](CN1C=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C1)C(=O)O ZINC000587581095 HC Annotated Anodyne N[C@@H](CN1C=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C1)C(=O)O ZINC000587581097 HC Annotated Anodyne N[C@@H](CN1C=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C1)C(=O)O ZINC000587581098 HC Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587609574 HC Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587609575 HC Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587609576 HC Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587609577 HC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)CN[C@@H]1CCS(=O)(=O)C1 ZINC000587614814 HC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)CN[C@H]1CCS(=O)(=O)C1 ZINC000587614815 HC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)CN[C@H]1CCS(=O)(=O)C1 ZINC000587614816 HC Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)CN[C@@H]1CCS(=O)(=O)C1 ZINC000587614817 HC Annotated Anodyne O=C(c1ccn(Cn2cnc([N+](=O)[O-])n2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652931 HC Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587704246 HC Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587704261 HC Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587704262 HC Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587704263 HC Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587705317 HC Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587705318 HC Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587705319 HC Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587705320 HC Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](O)[C@@H](O)C(=O)NN ZINC000587857879 HC Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN ZINC000587857880 HC Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN ZINC000587857881 HC Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](O)[C@H](O)C(=O)NN ZINC000587857882 HC Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](O)[C@@H](O)C(=O)NN ZINC000587864159 HC Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN ZINC000587864168 HC Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN ZINC000587864169 HC Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](O)[C@H](O)C(=O)NN ZINC000587864170 HC Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC(=O)NN)N1CCOCC1 ZINC000587871641 HC Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC(=O)NN)N1CCOCC1 ZINC000587871646 HC Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[C@@H](C(=O)NN)N1CCOCC1 ZINC000587872447 HC Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[C@H](C(=O)NN)N1CCOCC1 ZINC000587872448 HC Annotated Reactive O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587940699 HC Annotated Anodyne O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1ccnc(CCl)n1 ZINC000587941588 HC Annotated Reactive N[C@H]1CN(c2ncnc(N3CCC(F)(F)C3)n2)C[C@@H]1N1CC(F)(F)CCC1=O ZINC000059027491 HC Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000059065391 HC Annotated Mild in-vitro CC(=O)CC[C@H]1C(=O)[C@@]23[C@@H](C(=O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000059086158 HC Annotated Anodyne NC(=O)N1CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CCN1 ZINC000059223575 HC Annotated Anodyne CC(=O)N1CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CCN1 ZINC000059223580 HC Annotated Anodyne COC(=S)NC[C@H]1CN(c2ccc(N3CCNN(C=O)CC3)c(F)c2)C(=O)O1 ZINC000059223988 HC Annotated Anodyne CC(=S)NC[C@H]1CN(c2ccc(N3CCNN(C(N)=O)CC3)c(F)c2)C(=O)O1 ZINC000059226057 HC Annotated Anodyne CC(=O)c1c(C)cc2cc(O)cc(OCC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)c2c1O ZINC000059586643 HC Annotated Mild in-vitro biogenic Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)C2 ZINC000059727172 HC Annotated Clean Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)C2 ZINC000059727176 HC Annotated Clean Oc1cc2c(c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c1)CC[C@@H](c1ccc(O)c(O)c1)O2 ZINC000059727880 HC Annotated Clean Oc1cc2c(c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)c1)CC[C@@H](c1ccc(O)c(O)c1)O2 ZINC000059727885 HC Annotated Clean COc1ccc2c(c1C[C@H](O)C(C)(C)O)O[C@@]1(O)c3ccc(O)cc3OC[C@@]21O ZINC000059729347 HC Annotated Anodyne O=C(/C=C/c1ccc(O)cc1)c1ccc(O)c([C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O ZINC000059772569 HC Annotated Mild C[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O/C(=C/c2ccc(O)cc2)C3=O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000059775025 HC Annotated Mild C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O/C(=C/c2ccc(O)cc2)C3=O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000059775030 HC Annotated Mild COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1 ZINC000059776726 HC Annotated Anodyne O=C(N/C(=C\NC1=NCCS1)C(=O)N1CSC[C@@H]1C(=O)O)c1ccccc1 ZINC000006003881 HC Annotated Anodyne CS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O ZINC000006019453 HC Annotated Anodyne in-vitro COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@]4(O)[C@@]3(C)[C@H]([C@H](O)[C@@H](OC)[C@@]4(C)O)[C@@]2(C)C1=O ZINC000006030552 HC Annotated Mild in-vitro C=CCNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21 ZINC000006040960 HC Annotated Mild Cc1cnc(C(=O)[C@@H](CO)O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000006072053 HC Annotated Anodyne in-vitro Cc1cnc(C(=O)[C@@H](CO)O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000006072054 HC Annotated Anodyne in-vitro Cc1cnc(C(=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000006072056 HC Annotated Anodyne in-vitro Cc1cnc(C(=O)[C@H](CO)O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000006072058 HC Annotated Anodyne in-vitro Cc1cnc(C(=O)[C@H](CO)O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000006072059 HC Annotated Anodyne in-vitro Cc1cnc(C(=O)[C@H](O)CO[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000006072060 HC Annotated Anodyne in-vitro Cc1cnc(C(=O)[C@@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000006072062 HC Annotated Anodyne in-vitro C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000006371104 HC Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000006371105 HC Annotated Anodyne C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000006371106 HC Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000006371107 HC Annotated Anodyne CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)CC1 ZINC000006439146 HC Annotated Anodyne CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000006439148 HC Annotated Anodyne COCCCn1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C(/C#N)C(N)=O ZINC000006497785 HC Annotated Mild O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3c[nH]cn3)CC2)CC1 ZINC000006498264 HC Annotated Anodyne O=C(NCCN1CCNC1=O)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061898895 HC Annotated Anodyne CN1CCN(c2ncnc3c2ncn3[C@H]2CN(Cc3ccncc3)C[C@@H](CO)O2)CC1 ZINC000061903108 HC Annotated Anodyne CC(C)N(C)c1ncnc2c1ncn2[C@H]1CN(CCN2CCOCC2)C[C@@H](CO)O1 ZINC000061905712 HC Annotated Anodyne CN1CCN(c2ncnc3c2ncn3[C@H]2CN(Cc3ccco3)C[C@@H](CO)O2)CC1 ZINC000061906902 HC Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCN2CCOCC2)CC(C(=O)N(C)C)=C1C ZINC000061923399 HC Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCN2CCOCC2)CC(C(=O)N(C)C)=C1C ZINC000061923400 HC Annotated Anodyne OC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(N4CCOCC4)ncnc32)O1 ZINC000061925499 HC Annotated Anodyne NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cccc(OC4CCCC4)c3)[C@@H](O)[C@H]2O)n1 ZINC000061935915 HC Annotated Anodyne Cc1sc2ccccc2c1CNC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](O)[C@@H]1O ZINC000061935922 HC Annotated Anodyne CCC/N=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C(=O)OC)N12 ZINC000061942212 HC Annotated Mild COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCC(=O)c3ccccc3)N21 ZINC000061944661 HC Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)C1CC1 ZINC000061945477 HC Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945646 HC Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061945746 HC Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061945755 HC Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061945770 HC Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061945777 HC Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061945780 HC Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061945783 HC Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061945870 HC Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061945967 HC Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)C1CC1 ZINC000061945998 HC Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)OCc2cnnn2CCCC1=O ZINC000061946144 HC Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)C1CC1 ZINC000061946146 HC Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)C1CC1 ZINC000061946252 HC Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)C1CC1 ZINC000061946262 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061946275 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061946276 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061946286 HC Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)OCc2cnnn2CCCC1=O ZINC000061946295 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061946302 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061946313 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061946323 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061946332 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061946391 HC Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)C1CC1 ZINC000061946430 HC Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)C1CC1 ZINC000061946442 HC Annotated Anodyne CCNC(=O)N(C)C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000061947093 HC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947119 HC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)Nc2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947123 HC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)Nc2ccccc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947124 HC Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccc(F)cc1 ZINC000061947133 HC Annotated Anodyne CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(C)=O ZINC000061947154 HC Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccc(C)cc1 ZINC000061947165 HC Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccccc1 ZINC000061947166 HC Annotated Anodyne CCNC(=O)N(C)C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000061947168 HC Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947175 HC Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)Nc2ccc(OC)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947176 HC Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)Nc2ccc(Cl)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947177 HC Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)Nc2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947179 HC Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(C)=O ZINC000061947191 HC Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)C1CCCCC1 ZINC000061947197 HC Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)c1ccc(F)cc1 ZINC000061947200 HC Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)c1ccccc1 ZINC000061947201 HC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(C)=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000061947205 HC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)COc2ccccc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947209 HC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947213 HC Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)c2ccc(C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947214 HC Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)COc1ccccc1 ZINC000061947221 HC Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)c1ccc(F)cc1 ZINC000061947226 HC Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)c1ccc(C)cc1 ZINC000061947227 HC Annotated Anodyne CCOC(=O)CC[C@H](NC(=O)Cn1cnc2c(SC)nc(N)nc21)C(=O)OCC ZINC000061947332 HC Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cn1cnc2c(SC)nc(N)nc21 ZINC000061947334 HC Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)NCCO)C(=O)NCCOC1=O ZINC000061948511 HC Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)NCCO)C(=O)NCCOC1=O ZINC000061948553 HC Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)[C@@H](CO)NC(=O)[C@@]12C ZINC000061948812 HC Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)[C@@H](CO)NC(=O)[C@@]12C ZINC000061948814 HC Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Br)cc1 ZINC000061949218 HC Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000061949226 HC Annotated Anodyne COC(=O)[C@H](CSSCCN(C)C)NC(=O)[C@H]1OC[C@H](OC(C)=O)S1 ZINC000618007629 HC Annotated Reactive CCN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)C(=O)c1cnn([C@@H]2CCC(=O)NN2)c1C ZINC000618013270 HC Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)C(=O)c1cnn([C@H]2CCC(=O)NN2)c1C ZINC000618013275 HC Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)C(=O)c1cnn([C@@H]2CCC(=O)NN2)c1C ZINC000618013276 HC Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)C(=O)c1cnn([C@H]2CCC(=O)NN2)c1C ZINC000618013277 HC Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2C[C@H](OC)[C@@H](OC)C[C@@H]2N1)S(=O)(=O)c1ccccc1 ZINC000618013620 HC Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2C[C@H](OC)[C@H](OC)C[C@@H]2N1)S(=O)(=O)c1ccccc1 ZINC000618013621 HC Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2C[C@H](OC)[C@H](OC)C[C@H]2N1)S(=O)(=O)c1ccccc1 ZINC000618013622 HC Annotated Anodyne CCN(C[C@@H]1NC(=O)[C@@H]2C[C@H](OC)[C@@H](OC)C[C@H]2N1)S(=O)(=O)c1ccccc1 ZINC000618013623 HC Annotated Anodyne CCOc1ccc(Oc2cc(CNC(=O)[C@H]3NN[C@H](S)NC3=O)ccn2)cc1 ZINC000618014144 HC Annotated Mild CCOc1ccc(Oc2cc(CNC(=O)[C@@H]3NN[C@H](S)NC3=O)ccn2)cc1 ZINC000618014150 HC Annotated Mild CCOc1ccc(Oc2cc(CNC(=O)[C@H]3NN[C@@H](S)NC3=O)ccn2)cc1 ZINC000618014151 HC Annotated Mild CCOc1ccc(Oc2cc(CNC(=O)[C@@H]3NN[C@@H](S)NC3=O)ccn2)cc1 ZINC000618014152 HC Annotated Mild O=C(CN1CCN(C[C@@H]2NC(=O)[C@H]3CCS[C@@H]3N2)CC1)NCc1ccccc1 ZINC000618014456 HC Annotated Anodyne O=C(CN1CCN(C[C@@H]2NC(=O)[C@H]3CCS[C@H]3N2)CC1)NCc1ccccc1 ZINC000618014457 HC Annotated Anodyne O=C(CN1CCN(C[C@@H]2NC(=O)[C@@H]3CCS[C@@H]3N2)CC1)NCc1ccccc1 ZINC000618014458 HC Annotated Anodyne O=C(CN1CCN(C[C@@H]2NC(=O)[C@@H]3CCS[C@H]3N2)CC1)NCc1ccccc1 ZINC000618014459 HC Annotated Anodyne CCCn1nnnc1CS[C@@H]1N[C@H](C2CC2)N[C@@H]2[C@H]1C(=O)NC(=O)N2C1CC1 ZINC000618014615 HC Annotated Anodyne CCCn1nnnc1CS[C@@H]1N[C@H](C2CC2)N[C@H]2[C@@H]1C(=O)NC(=O)N2C1CC1 ZINC000618014620 HC Annotated Anodyne CCCn1nnnc1CS[C@@H]1N[C@H](C2CC2)N[C@H]2[C@H]1C(=O)NC(=O)N2C1CC1 ZINC000618014622 HC Annotated Anodyne CCCn1nnnc1CS[C@@H]1N[C@H](C2CC2)N[C@@H]2[C@@H]1C(=O)NC(=O)N2C1CC1 ZINC000618014623 HC Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(CCC)[C@H]2N[C@H]1CCC(=O)N1CCC(=O)CC1 ZINC000618015668 HC Annotated Anodyne CCCCN1[C@H](CCC(=O)N2CCC(=O)CC2)N[C@H]2[C@@H]1C(=O)NC(=O)N2CCC ZINC000618015669 HC Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(CCC)[C@@H]2N[C@H]1CCC(=O)N1CCC(=O)CC1 ZINC000618015670 HC Annotated Anodyne CCCCN1[C@H](CCC(=O)N2CCC(=O)CC2)N[C@@H]2[C@@H]1C(=O)NC(=O)N2CCC ZINC000618015671 HC Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CS[C@@H]1NC(=O)[C@H](NC(=O)c2ccco2)[C@H](N)N1 ZINC000618016653 HC Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CS[C@@H]1NC(=O)[C@H](NC(=O)c2ccco2)[C@@H](N)N1 ZINC000618016654 HC Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CS[C@@H]1NC(=O)[C@@H](NC(=O)c2ccco2)[C@@H](N)N1 ZINC000618016655 HC Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CS[C@@H]1NC(=O)[C@@H](NC(=O)c2ccco2)[C@H](N)N1 ZINC000618016656 HC Annotated Anodyne O=C([C@@H]1SN[C@H]2C(=O)N(C3CC3)C(=O)N[C@@H]21)N1CCN(c2ccc(F)cc2)CC1 ZINC000618016724 HC Annotated Anodyne O=C([C@@H]1SN[C@H]2C(=O)N(C3CC3)C(=O)N[C@H]21)N1CCN(c2ccc(F)cc2)CC1 ZINC000618016730 HC Annotated Anodyne O=C([C@@H]1SN[C@@H]2C(=O)N(C3CC3)C(=O)N[C@@H]21)N1CCN(c2ccc(F)cc2)CC1 ZINC000618016731 HC Annotated Anodyne O=C([C@@H]1SN[C@@H]2C(=O)N(C3CC3)C(=O)N[C@H]21)N1CCN(c2ccc(F)cc2)CC1 ZINC000618016732 HC Annotated Anodyne O=C1/C=C/CC2(CCNCC2)C(=O)NCCNC(=O)c2ccccc2OCCN1 ZINC000618016826 HC Annotated Anodyne CCN[C@@H]1COCCN1c1nc(N2CCCCC2)nc(N2CCOC[C@@H]2NCC)n1 ZINC000064274813 HC Annotated Anodyne CCN[C@H]1COCCN1c1nc(N2CCCCC2)nc(N2CCOC[C@@H]2NCC)n1 ZINC000064274814 HC Annotated Anodyne CCN[C@@H]1CN(c2nc(N3CCCCC3)nc(N3CCO[C@@H](NCC)C3)n2)CCO1 ZINC000064274839 HC Annotated Anodyne CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064446875 HC Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064448491 HC Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2cccc(Br)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064454498 HC Annotated Mild Nc1nc(N)c2ncn(C[C@@H](CO)OC[P@@](=O)(O)OCC(F)(F)F)c2n1 ZINC000064528156 HC Annotated Anodyne CC(=O)C[C@]1(C)N=C(C(N)=O)c2[nH]c(=O)n(S(=O)(=O)c3ccc(C)cc3)c2N1 ZINC000064528408 HC Annotated Anodyne CC(=O)C[C@@]1(C)N=C(C(N)=O)c2[nH]c(=O)n(S(=O)(=O)c3ccc(C)cc3)c2N1 ZINC000064528409 HC Annotated Anodyne OC[C@H]1O[C@@H](Sc2nc(S)c3c4c(sc3n2)CCCC4)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064564446 HC Annotated Anodyne CC(C)C[C@@H]1C(=O)N(N(S(C)(=O)=O)S(C)(=O)=O)CN1Cc1ccccc1 ZINC000064564964 HC Annotated Anodyne CC(C)C[C@H]1C(=O)N(N(S(C)(=O)=O)S(C)(=O)=O)CN1Cc1ccccc1 ZINC000064564966 HC Annotated Anodyne CCCCNC(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 ZINC000064633522 HC Annotated Anodyne in-vitro CC(=O)C[C@@H]1O[C@H]2[C@H](C[C@H]1O)O[C@@H]1[C@@H](C)[C@H](C)[C@@]3(C[C@H](O)CO3)O[C@H]1[C@@H](O)[C@@H]2C ZINC000064633989 HC Annotated Anodyne in-vitro Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)n([C@@H](Cc2ccccc2)C(N)=O)c1=O ZINC000064708195 HC Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3OC[C@@](O)(CO)[C@@H]3O)cc(O)c1C2=O ZINC000006501345 HC Annotated Clean CC[C@@H](COc1nnnc2ccccc12)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000006747014 HC Annotated Anodyne CC[C@H](COc1nnnc2ccccc12)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000006747017 HC Annotated Anodyne CN1C(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)=CC(c2ccco2)=NS1(=O)=O ZINC000006800378 HC Annotated Anodyne CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)C(C#N)=C(N)N2C1 ZINC000653689410 HC Annotated Reactive CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)C(C#N)=C(N)N2C1 ZINC000653689411 HC Annotated Reactive CSCC[C@@H](N)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@@H](c3ccccc3)O[C@H]12 ZINC000653693417 HC Annotated Anodyne CSCC[C@@H](N)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@H](c3ccccc3)O[C@H]12 ZINC000653693418 HC Annotated Anodyne NC(=O)C(=O)NNC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(O)cc3)n[nH]c1-2 ZINC000653698617 HC Annotated Reactive CC1=CCC[C@@H](C)[C@]1(C)CC/C(=C/CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)CO ZINC000653700774 HC Annotated Anodyne C/C=C/CC[C@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)cc(O)c2C(=O)O1 ZINC000653713016 HC Annotated Anodyne C=C[C@](C)(O)CC/C=C(C)/C=C/[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O ZINC000653715473 HC Annotated Mild CCCCCCCCCCCCNC(=O)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000653725569 HC Annotated Mild O=C(Nc1c(Cl)cccc1C(F)(F)F)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000653727791 HC Annotated Mild Cc1oc(=O)c2c(c1C)O[C@@]1(C)C(=C2)[C@@H](C)[C@]2(O)CC(=O)C(C)(C)C(=O)[C@@]2(O)[C@H]1O ZINC000653732516 HC Annotated Anodyne O=C(Nc1ccc(Oc2ccccc2)cc1)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000653735545 HC Annotated Mild CC(=O)OCCN(CCOC(C)=O)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000653767648 HC Annotated Clean CCOC(=O)[C@H]1CC(=NNC(=O)CCn2cc(C)c(O)nc2=O)C[C@H]1C(=O)OCC ZINC000653791980 HC Annotated Reactive CCOC(=O)[C@@H]1CC(=NNC(=O)CCn2cc(C)c(O)nc2=O)C[C@H]1C(=O)OCC ZINC000653791981 HC Annotated Reactive CCOC(=O)[C@@H]1CC(=NNC(=O)CCn2ccc(=N)nc2O)C[C@H]1C(=O)OCC ZINC000653795191 HC Annotated Reactive CCOC(=O)[C@H]1CC(=NNC(=O)CCn2ccc(=N)nc2O)C[C@H]1C(=O)OCC ZINC000653795857 HC Annotated Reactive COC(=O)CCC(=O)OCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000653819694 HC Annotated Anodyne CN1C(=C2C(=N\NC(=N)N)\c3ccccc3N\2C)/C(=N/NC(=N)N)c2ccccc21 ZINC000653829268 HC Annotated Mild CC(=O)n1cc(-c2c(C)n(S(C)(=O)=O)n(S(C)(=O)=O)c2=O)c2ccccc21 ZINC000653837641 HC Annotated Anodyne CC[C@H](N)[C@H](O)[C@H](O)CC(=O)N[C@@H](CC(C)C)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000653849090 HC Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(C#N)s3)C2)ncc1F ZINC000653849096 HC Annotated Mild NCCCS(=O)(=O)N1CCC(NC(=O)c2cc3c(cc2Cl)NC(=O)C3)CC1 ZINC000653851551 HC Annotated Anodyne O=C1Cc2cc(C(=O)NC3CCN(S(=O)(=O)CC4CCNCC4)CC3)ccc2N1 ZINC000653851620 HC Annotated Anodyne CCn1ccc(=O)c(O)c1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CCC(=O)OC ZINC000653882378 HC Annotated Anodyne C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(-c3cncs3)cc2)CC1)C(=O)NO ZINC000066073993 HC Annotated Bother Nc1nc2c(c(=O)[nH]1)C[C@@H](N(CCP(=O)(O)O)Cc1ccc(C(=O)O)cc1)CN2 ZINC000066079504 HC Annotated Anodyne Nc1nc2c(c(=O)[nH]1)C[C@H](N(CCP(=O)(O)O)Cc1ccc(C(=O)O)cc1)CN2 ZINC000066079505 HC Annotated Anodyne C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3ccccn3)cc2)CC1)C(=O)NO ZINC000066079895 HC Annotated Mild C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3ccncc3)cc2)CC1)C(=O)NO ZINC000066079898 HC Annotated Mild C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3cccnc3)cc2)CC1)C(=O)NO ZINC000066102986 HC Annotated Mild CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000066147865 HC Annotated Reactive CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000066147868 HC Annotated Reactive C=CCNC(=O)CO[C@H]1O[C@H](COC(C)=O)C=C(OC(C)=O)/C1=C\C(=O)OCC ZINC000066251070 HC Annotated Mild C[C@@H]1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]3(C)C[C@@H]21 ZINC000066251362 HC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H]1O[C@H](O)[C@H]4[C@](CO)([C@H]12)[C@@H](CC[C@@]4(C)COC(C)=O)OC3=O ZINC000066251456 HC Annotated Mild CCOc1cc(F)c(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1F ZINC000066259952 HC Annotated Anodyne C[C@H](O)[C@](C)(O)C(=O)OC[C@@H]1CCN2CC[C@@H](OC(=O)Cc3cccc(O)c3)[C@@H]12 ZINC000069482418 HC Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C=C[C@@H](OC(C)=O)[C@@](O)(COC(=O)c2ccccc2)[C@@H]1OC(C)=O ZINC000070454902 HC Annotated Anodyne in-vitro biogenic CC1=CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 ZINC000070455342 HC Annotated Anodyne in-vitro biogenic CC(C)(CCS(=O)(=O)CCS(=O)(=O)CCS(=O)(=O)O)N(Cl)Cl ZINC000071341089 HC Annotated Anodyne C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC[C@@]1(C)NC(=O)NC1=O ZINC000071788672 HC Annotated Anodyne C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC[C@]1(C)NC(=O)NC1=O ZINC000071788673 HC Annotated Anodyne C[C@@]1(CNC(=O)[C@H](CN)NC(=O)c2ccc(-c3ccccc3)cc2)NC(=O)NC1=O ZINC000071788681 HC Annotated Anodyne C[C@]1(CNC(=O)[C@H](CN)NC(=O)c2ccc(-c3ccccc3)cc2)NC(=O)NC1=O ZINC000071788682 HC Annotated Anodyne C=C1[C@H]2C[C@]3(C(=C[C@@H]2O)[C@@]24CO[C@]3(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]4OC(C)=O)[C@@H]1O ZINC000072108124 HC Annotated Mild C=C1[C@@H]2CC=C3[C@@]45C(=O)O[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000072108221 HC Annotated Mild C/C(=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C ZINC000072112160 HC Annotated Mild C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@@H]12 ZINC000072112743 HC Annotated Anodyne C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)[C@@H]12 ZINC000072112744 HC Annotated Anodyne C/C(=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C ZINC000072114248 HC Annotated Mild CC(=O)Oc1ccccc1C(=O)OCOC(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000072114676 HC Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000072114677 HC Annotated Anodyne COC1=CC=C[C@@H]2N1c1ccncc1S(=O)(=O)N2c1ccncc1S(N)(=O)=O ZINC000072116381 HC Annotated Anodyne COC1=CC=C[C@H]2N1c1ccncc1S(=O)(=O)N2c1ccncc1S(N)(=O)=O ZINC000072116382 HC Annotated Anodyne Nc1ccn([C@@H]2O[C@H](C(=O)N(CCC3=CCCCC3)CC3CC3)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000072135934 HC Annotated Anodyne C=C1C(=O)[C@@]23C(=CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000072139621 HC Annotated Mild CN(CCCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O)S(C)(=O)=O ZINC000072170786 HC Annotated Anodyne CN(CCCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O)S(C)(=O)=O ZINC000072170787 HC Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1cnc([N+](=O)[O-])n1)C(=O)N1CCC[C@H]1O3 ZINC000072175664 HC Annotated Bother O=C1c2cc3c(cc2OCN1CCn1cnc([N+](=O)[O-])n1)C(=O)N1CCC[C@@H]1O3 ZINC000072175665 HC Annotated Bother CN1CCN(C(=O)c2ccc3c(c2)/C(=N/NC(=O)Cc2ccc(O)cc2)C(=O)N3)CC1 ZINC000072180906 HC Annotated Reactive COC(=O)CC[C@@H](NC(=O)c1cccc(C[C@H]2SC(=S)NC2=O)c1)C(=O)OC ZINC000072181566 HC Annotated Clean COC(=O)CC[C@@H](NC(=O)c1cccc(C[C@@H]2SC(=S)NC2=O)c1)C(=O)OC ZINC000072181567 HC Annotated Clean COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@H](O)C[C@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000072187693 HC Annotated Anodyne O=C(Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1)NCCO ZINC000072304027 HC Annotated Anodyne C[C@H](Cn1ncnn1)n1cnc2cc3c(=O)n(CC(F)(F)F)nnc3cc2c1=O ZINC000073164831 HC Annotated Bother O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(c2ccncc2)CC1 ZINC000073166800 HC Annotated Anodyne O=C1NC(=O)[C@@H](CN/C(O)=N/S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000073219195 HC Annotated Mild O=C1NC(=O)[C@H](CN/C(O)=N/S(=O)(=O)c2ccc(Br)cc2)S1 ZINC000073219199 HC Annotated Mild CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N3CCCOCC3)cc2c1=O ZINC000073221756 HC Annotated Anodyne Cc1ccccc1-n1c(C)nc2c(OCC(=O)NNC(=S)NN)cccc2c1=O ZINC000073239832 HC Annotated Reactive Cn1c(=O)c2c(nc(NCCCCl)n2CC(=O)NCCCCl)n(C)c1=O ZINC000073333304 HC Annotated Reactive CCOC(=O)C(=[N+]=[N-])C(=O)[C@]1(C(=O)OCC)CCN(C(=O)c2ccccc2)C1=O ZINC000073334958 HC Annotated Clean CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C ZINC000007998259 HC Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\OC[C@@H](O)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O)OC ZINC000007998424 HC 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(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000007998574 HC Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000007998580 HC Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3CC[C@@H]12 ZINC000007998585 HC Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3CC[C@@H]12 ZINC000007998590 HC Annotated Mild CCC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N(C)C1 ZINC000008035317 HC Annotated Reactive O=c1c2ccccc2oc2cc(O)c([C@@H]3COC[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c12 ZINC000008035532 HC Annotated Bother CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000008035875 HC Annotated Reactive CN(C)[C@H]1CO[C@H]2[C@]34O[C@H]3[C@H]3OC(=O)[C@]5(C)[C@H]3[C@]3(CC[C@]5(O)OC3)[C@@H]4CC[C@@]12C ZINC000008221295 HC Annotated Anodyne in-vitro CC(C)C[C@@H](C(=O)NCC#N)n1cnc2c(NCCN3CCOCC3)ncnc21 ZINC000082062016 HC Annotated Mild CC(C)C[C@H](C(=O)NCC#N)n1cnc2c(NCCN3CCOCC3)ncnc21 ZINC000082062017 HC Annotated Mild CCc1nc(C(=O)N[C@H](C(=O)OCCOCCN2CCNCC2)C(C)C)cs1 ZINC000082070192 HC Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)OCCOCCN2CCNCC2)C(C)C)cs1 ZINC000082070193 HC Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN(CCN)CCO ZINC000082070425 HC Annotated Anodyne C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN(CCN)CCO ZINC000082070426 HC Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCN(CCN)CCO)co2)cc1 ZINC000082070468 HC Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCCN(CCN)CCO)co2)cc1 ZINC000082070469 HC Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCN(CCN)CCO)co1 ZINC000082070492 HC Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCN(CCN)CCO)co1 ZINC000082070494 HC Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)N2CCCNCC2)cs1 ZINC000082071153 HC Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)N2CCCNCC2)cs1 ZINC000082071154 HC Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCN(C)C)cs1 ZINC000082071259 HC Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OCCN(C)C)cs1 ZINC000082071260 HC Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)OCCOCCN3CCNCC3)co2)cc1 ZINC000082072118 HC Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)OCCOCCN2CCNCC2)co1 ZINC000082072139 HC Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCCOCCN2CCNCC2)cs1 ZINC000082073185 HC Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H]2C(=O)OCCOCCN2CCNCC2)cs1 ZINC000082073187 HC Annotated Anodyne CN(CC(=O)OCCN(CCN)CCO)C(=O)c1csc(-c2ccccc2)n1 ZINC000082073654 HC Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCN(CCN)CCO)co2)cc1 ZINC000082073708 HC Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCN(CCN)CCO)co1 ZINC000082073734 HC Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(CCN)CCO ZINC000082082094 HC Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(CCN)CCO ZINC000082082096 HC Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082082876 HC Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082082878 HC Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082082880 HC Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082082883 HC Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCOCCN1CCNCC1 ZINC000082083436 HC Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCOCCN1CCNCC1 ZINC000082083439 HC Annotated Anodyne C[C@H](/C(O)=N/CCN1CCOCC1)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082083599 HC Annotated Mild C[C@H](/C(O)=N/CCCN1CCOCC1)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082083681 HC Annotated Mild O=C1c2nc(N3CCOCC3)ccc2CN1C/C(O)=N/CCCN1CCOCC1 ZINC000082083837 HC Annotated Mild CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(N)=O ZINC000082084214 HC Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(N)=O ZINC000082084215 HC Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN ZINC000082084256 HC Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN ZINC000082084257 HC Annotated Anodyne O=C(CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)N[C@@H]1CCCCNC1=O ZINC000082084764 HC Annotated Anodyne O=C(CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)N[C@H]1CCCCNC1=O ZINC000082084765 HC Annotated Anodyne O=C(CNC(=O)c1coc(-c2cccs2)n1)OCCOCCN1CCNCC1 ZINC000082084889 HC Annotated Anodyne CN(C)CCOCCOC(=O)CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084934 HC Annotated Anodyne NCCN(CCO)CCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085170 HC Annotated Anodyne NCCN(CCO)CCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085171 HC Annotated Anodyne CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085626 HC Annotated Anodyne CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085627 HC Annotated Anodyne CN(CC(=O)OCCOCCN1CCNCC1)C(=O)c1coc(-c2cccs2)n1 ZINC000082085733 HC Annotated Anodyne C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2O[C@@H]2C(=O)[C@@](C)(O)[C@@H]1OC(C)=O ZINC000082123217 HC Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136002 HC Annotated Bother CCCCNC(=O)OC[C@H](O)Cn1cc(CN2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000082155414 HC Annotated Anodyne CCCCNC(=O)OC[C@@H](O)Cn1cc(CN2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000082155415 HC Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)CC(=O)N2 ZINC000082166328 HC Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)CC(=O)N2 ZINC000082166330 HC Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCO)C(N)=O ZINC000082191167 HC Annotated Anodyne CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(=O)N2CCOCC2)C1 ZINC000082196442 HC Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205330 HC Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205363 HC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCN)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205474 HC Annotated Anodyne NCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205481 HC Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205573 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206446 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206448 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@@H](C)N2 ZINC000082207064 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](C)N2 ZINC000082207067 HC Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207425 HC Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207428 HC Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207825 HC Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207829 HC Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207840 HC Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207843 HC Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208251 HC Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208254 HC Annotated Anodyne O=C(Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2)C1CC1 ZINC000082210047 HC Annotated Anodyne O=C(Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2)C1CC1 ZINC000082210048 HC Annotated Anodyne NCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210256 HC Annotated Anodyne NCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210258 HC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210518 HC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210526 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210539 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210542 HC Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CCN4CCOCC4)c2=O)[C@H](C)CN3)cc1 ZINC000082210925 HC Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CCN4CCOCC4)c2=O)[C@@H](C)CN3)cc1 ZINC000082210928 HC Annotated Anodyne C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210931 HC Annotated Anodyne C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210933 HC Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210941 HC Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210945 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211250 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211253 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212072 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212075 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082213045 HC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082213046 HC Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235227 HC Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235228 HC Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235229 HC Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235230 HC Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235424 HC Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235425 HC Annotated Mild Cc1cccc2c1NC(=O)CN([C@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000082236052 HC Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000082236053 HC Annotated Anodyne [N-]=[N+]=NCCOCCOCCC(=O)NC(COCCC(=O)O)COCCC(=O)O ZINC000083254038 HC Annotated Clean C[C@@H]1CC[C@H]2C(C(=O)O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C[C@H]3CC(C)(C)C[C@]132 ZINC000083921984 HC Annotated Anodyne in-vitro C[C@H]1CC[C@H]2C(C(=O)O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C[C@H]3CC(C)(C)C[C@]132 ZINC000083921986 HC Annotated Anodyne in-vitro C[C@@H]1CC[C@@H]2C(C(=O)O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C[C@H]3CC(C)(C)C[C@]213 ZINC000083921988 HC Annotated Anodyne in-vitro C[C@H]1CC[C@@H]2C(C(=O)O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C[C@H]3CC(C)(C)C[C@@]123 ZINC000083921990 HC Annotated Anodyne in-vitro COC(=O)C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2=O)[C@@]2(O[C@H](C)C[C@H](O)[C@@H]2O)O1 ZINC000083923339 HC Annotated Mild in-vitro COC(=O)C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2=O)[C@@]2(O[C@@H](C)C[C@H](O)[C@@H]2O)O1 ZINC000083923340 HC Annotated Mild in-vitro COC(=O)C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2=O)[C@@]2(O[C@H](C)C[C@@H](O)[C@@H]2O)O1 ZINC000083923342 HC Annotated Mild in-vitro COC(=O)C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2=O)[C@@]2(O[C@@H](C)C[C@@H](O)[C@@H]2O)O1 ZINC000083923343 HC Annotated Mild in-vitro COc1c(OC(C)C)cc2c(c1OC(C)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000084596712 HC Annotated Anodyne C=CCOc1cc2c(c(OCC=C)c1OC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000084618522 HC Annotated Mild Cc1noc(C)c1S(=O)(=O)N1CC(C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000084672239 HC Annotated Anodyne CCOC(=O)[C@]1(n2cc(F)c(=O)[nH]c2=O)C[C@H](P(=O)(OCC)OCC)N(C)O1 ZINC000084713643 HC Annotated Anodyne CCOC(=O)[C@@]1(n2cc(F)c(=O)[nH]c2=O)C[C@H](P(=O)(OCC)OCC)N(C)O1 ZINC000084723584 HC Annotated Anodyne CCOC(=O)[C@@]1(n2ccc(N)nc2=O)C[C@H](P(=O)(OCC)OCC)N(C)O1 ZINC000084723593 HC 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(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000008585614 HC 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(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000008585616 HC Annotated Mild CN(C)S(=O)(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000008599792 HC Annotated Anodyne Cc1ccc(CN2CCN(C3CCN(S(=O)(=O)N(C)C)CC3)C(=O)C2=O)cc1 ZINC000008599843 HC Annotated Anodyne CCOC1=C/C(=C\NNC(=O)C(=O)NN/C=C2\C=CC(=O)C(OCC)=C2)C=CC1=O ZINC000008615596 HC Annotated Reactive C(=NNC1=NCCN1)c1ccc(-c2cn3cc(C=NNC4=NCCN4)ccc3n2)cc1 ZINC000008651746 HC Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc1ccc(-c2ccccc2)cc1 ZINC000008679946 HC Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1ccc(-c2ccccc2)cc1 ZINC000008679955 HC Annotated Anodyne CCC(=O)N1C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C[C@H]1C(=O)NCC(N)=O ZINC000008691373 HC Annotated Bother CCC(=O)N1C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C[C@H]1C(=O)NCC(N)=O ZINC000008691374 HC Annotated Bother CCC1=C2CC[C@H]3C(=O)N(C)C(=O)[C@H]3[C@H]2[C@@]2(C)C(=O)N(CC(=O)OC)C(=O)N2C1=O ZINC000008860385 HC Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@H]([C@H]32)[C@@]2(C)[C@@H](O)[C@@H](O)CC(C)(C)[C@@]12O ZINC000085489265 HC Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[N+]2(O)CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000085507939 HC Annotated Bother in-vitro biogenic CC(=O)O[C@@H]1[C@@H](O)[C@@]23C[C@@H](CC[C@H]2[C@@](C)(O)[C@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@](C)(O)C3 ZINC000085511801 HC Annotated Anodyne in-vitro biogenic COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@]4(O)[C@@]3(C)[C@H]([C@@H]3OCO[C@@H]3[C@@]4(C)O)[C@@]2(C)C1=O ZINC000085531528 HC Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H]2O ZINC000085542066 HC Annotated Mild in-vitro biogenic NC(N)=NCCc1cc(O)ccc1-c1oc2cc(O)cc(OCCO)c2c(=O)c1O ZINC000085569488 HC Annotated Mild in-vitro biogenic C=C[C@](C)(CCC=C(C)C)O[C@H]1O[C@@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085645524 HC Annotated Mild in-man C=C[C@@](C)(CCC=C(C)C)O[C@H]1O[C@@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085645528 HC Annotated Mild in-man C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085645532 HC Annotated Mild in-man C=C[C@@](C)(CCC=C(C)C)O[C@@H]1O[C@@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085645536 HC Annotated Mild in-man Cc1c(O[C@H]2O[C@@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@@H](O)[C@H]2O)occc1=O ZINC000085882735 HC Annotated Anodyne in-man Cc1c(O[C@@H]2O[C@@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@@H](O)[C@H]2O)occc1=O ZINC000085882738 HC Annotated Anodyne in-man C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(COC(C)=O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000085960123 HC Annotated Mild C=C(C)C(=O)O[C@@H]1C2=C(COC(C)=O)C(=O)O[C@]2(O)/C=C(\C)CCC(=O)[C@@H](C)[C@H]1O ZINC000085967098 HC Annotated Mild C[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O/C(=C\c2ccc(O)cc2)C3=O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086005073 HC Annotated Mild C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O/C(=C\c2ccc(O)cc2)C3=O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086005075 HC Annotated Mild C[N+]1(Cc2ccc(C(=O)NCCO)cc2)CCC[C@H](NC(=O)CCCC(=O)O)C1 ZINC000087529884 HC Annotated Bother in-vitro C[N+]1(Cc2ccc(C(=O)NCCO)cc2)CCC[C@@H](NC(=O)CCCC(=O)O)C1 ZINC000087529886 HC Annotated Bother in-vitro CCc1ccc(S(=O)(=O)NC[C@@H](CN2CCOCC2)OP(=O)(O)O)cc1 ZINC000087722719 HC Annotated Anodyne CCc1ccc(S(=O)(=O)NC[C@H](CN2CCOCC2)OP(=O)(O)O)cc1 ZINC000087722722 HC Annotated Anodyne CO[C@@]1(NC(=O)[C@@H](C(=O)O)c2ccsc2)C(=O)N2[C@H](C(=O)O)C(C)(C)S[C@@H]21 ZINC000009111945 HC Annotated Anodyne CNS(=O)(=O)c1cn(CC(=O)N(C)C2CCCCC2)cc1S(=O)(=O)NC ZINC000009224920 HC Annotated Anodyne Cc1ccn2nc(C(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)nc2n1 ZINC000009442821 HC Annotated Anodyne Cc1ccn2nc(C(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)nc2n1 ZINC000009442822 HC Annotated Anodyne COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)CNC1=O ZINC000009782066 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CCC[C@@](C)(COC(C)=O)[C@@H]1[C@H](O)[C@]3(O)OC2 ZINC000095099028 HC Annotated Mild in-vitro biogenic CC(=O)Nc1cc(F)c(S(=O)(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000095461784 HC Annotated Anodyne CC(=O)Nc1cc(F)c(S(=O)(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000095461785 HC Annotated Anodyne C[C@@]1(O)OC[C@H]2CC(=O)[C@@H]3[C@H]([C@H](O)C[C@]4(C)[C@H](c5ccoc5)OC(=O)[C@@H]5O[C@]534)[C@@H]21 ZINC000095485940 HC Annotated Anodyne in-vitro biogenic C=C[C@H]1COC(=O)[C@H](C=O)C[C@@H](O)[C@@H](C(=C)C(=O)OC)[C@H](OC(=O)C(=C)CO)C1 ZINC000095486290 HC Annotated Mild in-vitro biogenic O=C1c2ccccc2C(=O)N1CCOc1c(S(=O)(=O)c2ccccc2)no[n+]1[O-] ZINC000095555268 HC Annotated Anodyne COC(=O)c1nc(-c2cn(Cc3ccccc3)nn2)n(COCCOC(C)=O)n1 ZINC000095560837 HC Annotated Anodyne CCN(c1ccccc1)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1 ZINC000095564317 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095567814 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095570307 HC Annotated Anodyne Cc1nc2cc(NCc3ccccn3)ccc2n1C[C@@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@H]1O ZINC000095587888 HC Annotated Anodyne C[C@@H]1O[C@@H](OC(=O)c2cccc3nc4c(C(=O)O)cccc4nc23)[C@H](O)[C@H](O)[C@H]1O ZINC000095588746 HC Annotated Bother COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)CN3CCN(C(C)=O)CC3)C2=O)cc1 ZINC000095593643 HC Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@H](O)CN3CCN(C(C)=O)CC3)C2=O)cc1 ZINC000095593644 HC Annotated Anodyne O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C[C@H](O)CN1CCN(CCO)CC1 ZINC000095593757 HC Annotated Anodyne O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C[C@@H](O)CN1CCN(CCO)CC1 ZINC000095593758 HC Annotated Anodyne N=C(NCCCN1CCN(CCCNC(=N)c2cnccn2)CC1)c1cnccn1 ZINC000095594637 HC Annotated Anodyne CCNC(=S)NNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000095597466 HC Annotated Reactive Cc1cc2c(cc1C)-n1nnnc1[C@H](N1CCN(CC(=O)NC(C)C)CC1)C(=O)N2 ZINC000095599320 HC Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@@H](N1CCN(CC(=O)NC(C)C)CC1)C(=O)N2 ZINC000095599321 HC Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@@H]1O2 ZINC000095600213 HC Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095600393 HC Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1 ZINC000095600449 HC Annotated Anodyne CCOC(=O)CNC(=O)N1Cc2cc(N3CCOCC3)ccc2-n2nncc2C1 ZINC000095600626 HC Annotated Clean CN1CCN([C@@H]2CN(Cc3cn(Cc4ccccc4F)nn3)S(=O)(=O)C2)CC1 ZINC000095603711 HC Annotated Anodyne CN1CCN([C@H]2CN(Cc3cn(Cc4ccccc4F)nn3)S(=O)(=O)C2)CC1 ZINC000095603712 HC Annotated Anodyne CC(=O)/C=C1/CC(=O)N(C[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)c2ccccc2N1 ZINC000095616626 HC Annotated Mild COc1ccc2cc([C@H](C)C(=O)O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 ZINC000095618769 HC Annotated Anodyne in-man Oc1ccc(-c2oc3c/c(=[O+]/[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)cc(O)c-3cc2O)cc1O ZINC000095619813 HC Annotated Clean in-man Oc1ccc(-c2oc3c/c(=[O+]/[C@@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)cc(O)c-3cc2O)cc1O ZINC000095619814 HC Annotated Clean in-man O=C(O)[C@H]1O[C@@H](Oc2ccc([C@H]3COc4cc(O)ccc4C3)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095620833 HC Annotated Anodyne in-man C=C1C[C@H](O)C[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12 ZINC000095627956 HC Annotated Mild in-vitro biogenic CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)CN(C)C)cc3C(=O)N2C)O1 ZINC000095661171 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095661188 HC Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)C1CC1 ZINC000095661232 HC Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)C1CC1 ZINC000095661256 HC Annotated Anodyne CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095662454 HC Annotated Mild CC(C)NC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095662576 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095663099 HC Annotated Anodyne CCC(=O)N1CC2(CN(S(C)(=O)=O)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095663138 HC Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN1CCOCC1)CC31CN(C)C1 ZINC000095663810 HC Annotated Anodyne CN(C)CC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095663841 HC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095664338 HC Annotated Mild CNC[C@H]1Oc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2C(=O)N(C)C[C@@H]1C ZINC000095664588 HC Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(S(C)(=O)=O)C1 ZINC000095666079 HC Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(S(C)(=O)=O)C1 ZINC000095666081 HC Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@H](CC(=O)N3CCOCC3)O[C@@H]2CO)c1 ZINC000095667413 HC Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)N3CCOCC3)O[C@H]2CO)c1 ZINC000095668540 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)NCc1ccccc1F ZINC000095675192 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2cnccn2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095675193 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)NCc1ccccc1F ZINC000095675194 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2cnccn2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095675195 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2cnccn2)[C@H](CO)O1)NCc1ccccc1F ZINC000095675196 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095675197 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2cnccn2)[C@H](CO)O1)NCc1ccccc1F ZINC000095675198 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095675199 HC Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675556 HC Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675557 HC Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675558 HC Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675559 HC Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675560 HC Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675561 HC Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675562 HC Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675563 HC Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675564 HC Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675565 HC Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675566 HC Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675567 HC Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675568 HC Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675569 HC Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675570 HC Annotated Anodyne COc1cccc(-c2cn(CC[C@@H]3CC[C@@H](NC(=O)CN(C)C)[C@H](CO)O3)nn2)c1 ZINC000095675592 HC Annotated Anodyne COc1cccc(-c2cn(CC[C@@H]3CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O3)nn2)c1 ZINC000095675593 HC Annotated Anodyne COc1cccc(-c2cn(CC[C@@H]3CC[C@H](NC(=O)CN(C)C)[C@H](CO)O3)nn2)c1 ZINC000095675594 HC Annotated Anodyne COc1cccc(-c2cn(CC[C@H]3CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O3)nn2)c1 ZINC000095675595 HC Annotated Anodyne COc1cccc(-c2cn(CC[C@H]3CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O3)nn2)c1 ZINC000095675596 HC Annotated Anodyne COc1cccc(-c2cn(CC[C@H]3CC[C@@H](NC(=O)CN(C)C)[C@H](CO)O3)nn2)c1 ZINC000095675597 HC Annotated Anodyne COc1cccc(-c2cn(CC[C@H]3CC[C@H](NC(=O)CN(C)C)[C@H](CO)O3)nn2)c1 ZINC000095675598 HC Annotated Anodyne COc1cccc(-c2cn(CC[C@@H]3CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O3)nn2)c1 ZINC000095675599 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095675607 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095675608 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095675609 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095675610 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095675611 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095675612 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095675613 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095675614 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095675615 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095675616 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095675617 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095675618 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095675619 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095675620 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095675621 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095675622 HC Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)N3CCOCC3)O[C@@H]2CO)c1 ZINC000095675936 HC Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)N3CCOCC3)O[C@H]2CO)c1 ZINC000095675937 HC Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@H](CC(=O)N3CCOCC3)O[C@H]2CO)c1 ZINC000095675938 HC Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2CO)c1 ZINC000095675939 HC Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@@H](CC(=O)N3CCOCC3)O[C@H]2CO)c1 ZINC000095675940 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)NCc1ccccc1F ZINC000095676190 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cnccn2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095676191 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)NCc1ccccc1F ZINC000095676192 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cnccn2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095676193 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cnccn2)[C@H](CO)O1)NCc1ccccc1F ZINC000095676194 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cnccn2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095676195 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cnccn2)[C@H](CO)O1)NCc1ccccc1F ZINC000095676196 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cnccn2)[C@@H](CO)O1)NCc1ccccc1F ZINC000095676197 HC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCOCC1 ZINC000095676206 HC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCOCC1 ZINC000095676207 HC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCOCC1 ZINC000095676208 HC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCOCC1 ZINC000095676209 HC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCOCC1 ZINC000095676210 HC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCOCC1 ZINC000095676211 HC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCOCC1 ZINC000095676212 HC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCOCC1 ZINC000095676213 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095676309 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095676312 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095676313 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095676316 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095676319 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095676320 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095676322 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095676323 HC Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095676439 HC Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095676441 HC Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095676442 HC Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095676444 HC Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095676446 HC Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095676448 HC Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095676451 HC Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095676452 HC Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095676454 HC Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095676455 HC Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095676457 HC Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095676458 HC Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095676459 HC Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095676461 HC Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095676462 HC Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095676464 HC Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CC1 ZINC000095676874 HC Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CC1 ZINC000095676875 HC Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CC1 ZINC000095676876 HC Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CC1 ZINC000095676877 HC Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CC1 ZINC000095676879 HC Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CC1 ZINC000095676880 HC Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CC1 ZINC000095676881 HC Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CC1 ZINC000095676883 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H](NC(=O)c3ccc4c(c3)OCO4)[C@H](CO)O2)CC1 ZINC000095677375 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)[C@@H](CO)O2)CC1 ZINC000095677376 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)c3ccc4c(c3)OCO4)[C@H](CO)O2)CC1 ZINC000095677377 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)[C@@H](CO)O2)CC1 ZINC000095677378 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)[C@H](CO)O2)CC1 ZINC000095677379 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)c3ccc4c(c3)OCO4)[C@@H](CO)O2)CC1 ZINC000095677380 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)[C@H](CO)O2)CC1 ZINC000095677381 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H](NC(=O)c3ccc4c(c3)OCO4)[C@@H](CO)O2)CC1 ZINC000095677382 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095677404 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095677405 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095677406 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095677407 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095677408 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095677409 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095677410 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095677411 HC Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 ZINC000095677601 HC Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 ZINC000095677602 HC Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 ZINC000095677603 HC Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 ZINC000095677604 HC Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 ZINC000095677606 HC Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 ZINC000095677608 HC Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 ZINC000095677610 HC Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 ZINC000095677612 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C=C[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)CC1 ZINC000095677875 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2C=C[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)CC1 ZINC000095677878 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2C=C[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)CC1 ZINC000095677880 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C=C[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)CC1 ZINC000095677882 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C=C[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)CC1 ZINC000095677885 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2C=C[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)CC1 ZINC000095677887 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2C=C[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)CC1 ZINC000095677889 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C=C[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)CC1 ZINC000095677892 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095677956 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095677957 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095677958 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095677959 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095677960 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095677961 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095677963 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095677964 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095678145 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095678148 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095678150 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095678151 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095678153 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095678155 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095678156 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095678159 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095678239 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095678240 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095678241 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095678243 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095678244 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095678245 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095678247 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095678249 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCCN1CCCCC1 ZINC000095678251 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1 ZINC000095678254 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCCN1CCCCC1 ZINC000095678256 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1 ZINC000095678259 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCCN1CCCCC1 ZINC000095678261 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1 ZINC000095678263 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCCN1CCCCC1 ZINC000095678265 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1 ZINC000095678266 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCCc1cscn1 ZINC000095678303 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCCc1cscn1 ZINC000095678304 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095678348 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095678349 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095678350 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095678353 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095678354 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095678355 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095678356 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095678357 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095694074 HC Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)OCc2cn(nn2)CCCC1=O ZINC000095699153 HC Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095700293 HC Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095700294 HC Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095700295 HC Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095700296 HC Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700297 HC Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700298 HC Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095700299 HC Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095700300 HC Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095700301 HC Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095700302 HC Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095700303 HC Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095700304 HC Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700305 HC Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700306 HC Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095700307 HC Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#C[C@H](C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095700308 HC Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#C[C@@H](C)O)cc2O[C@H]1CN(C)C ZINC000095700783 HC Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700784 HC Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700785 HC Annotated Mild C[C@@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700786 HC Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700787 HC Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#C[C@@H](C)O)ccc2S1(=O)=O ZINC000095700788 HC Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700789 HC Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#C[C@@H](C)O)cc2O[C@H]1CN(C)C ZINC000095700790 HC Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#C[C@@H](C)O)cc2O[C@@H]1CN(C)C ZINC000095700791 HC Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700792 HC Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700793 HC Annotated Mild C[C@@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700794 HC Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095700795 HC Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#C[C@@H](C)O)ccc2S1(=O)=O ZINC000095700796 HC Annotated Mild C[C@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095700797 HC Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#C[C@@H](C)O)cc2O[C@@H]1CN(C)C ZINC000095700798 HC Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)C ZINC000095708262 HC Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)C ZINC000095708263 HC Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O ZINC000095708264 HC Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)C ZINC000095708265 HC Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)C ZINC000095708266 HC Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)C ZINC000095708267 HC Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O ZINC000095708268 HC Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)C ZINC000095708269 HC Annotated Mild CNC[C@@H]1Oc2cc(C#CC(C)(C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714916 HC Annotated Mild CNC[C@H]1Oc2cc(C#CC(C)(C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095714919 HC Annotated Mild CNC[C@H]1Oc2cc(C#CC(C)(C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095714920 HC Annotated Mild CNC[C@@H]1Oc2cc(C#CC(C)(C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095714923 HC Annotated Mild CNC[C@@H]1Oc2cc(C#CC(C)(C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714925 HC Annotated Mild CNC[C@H]1Oc2cc(C#CC(C)(C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095714927 HC Annotated Mild CNC[C@@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726060 HC Annotated Mild CNC[C@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726061 HC Annotated Mild CNC[C@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726062 HC Annotated Mild CNC[C@@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726063 HC Annotated Mild CNC[C@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095726064 HC Annotated Mild CNC[C@@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095726065 HC Annotated Mild CNC[C@@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095726066 HC Annotated Mild CNC[C@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095726067 HC Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@@]2(O)[C@@H]([C@@H]3O[C@@H]3C2(C)C)[C@](C)(O)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(C)O ZINC000095753670 HC Annotated Anodyne CC(=O)NC[C@H]1C[C@@H](N(C(C)=O)S(=O)(=O)c2cccc3cncc(C)c23)CN1 ZINC000095755242 HC Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN1CCOCC1)CC31CN(C)C1 ZINC000095793770 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3CC3CCCC3)O2)CC1 ZINC000095793912 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095794006 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095794082 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095794135 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3CC3CCCC3)O2)CC1 ZINC000095794137 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095794141 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3CC3CCCC3)O2)CC1 ZINC000095794511 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3CC3CCCC3)O2)CC1 ZINC000095794567 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3CC3CCCC3)O2)CC1 ZINC000095794626 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095794827 HC Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@H](CC(=O)N3CCN(C)CC3)O[C@@H]2CO)c1 ZINC000095794846 HC Annotated Anodyne COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095795004 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795005 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795098 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795099 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795100 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795102 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795104 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095795106 HC Annotated Mild COCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796589 HC Annotated Anodyne COCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796590 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095796813 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095797141 HC Annotated Anodyne COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095797801 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095797802 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797803 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095797804 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797805 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095797813 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095797906 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095797907 HC Annotated Mild CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3CC3CCCC3)O2)CC1 ZINC000095798369 HC Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095810285 HC Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095810287 HC Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095810292 HC Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095810294 HC Annotated Anodyne CCOC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095818325 HC Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095818329 HC Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)C1CC1 ZINC000095818425 HC Annotated Anodyne CCOC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095818555 HC Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)OC)C(C)(C)O)[C@H]12 ZINC000095831477 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095846075 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095854522 HC Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CC2)OCc2cn(nn2)CCCC1=O ZINC000095856085 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095856661 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095859770 HC Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095860635 HC Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)C1CC1 ZINC000095860649 HC Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)C1CC1 ZINC000095861319 HC Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(C(=O)N(C)C)c4)c3=O)[C@@H]1N2 ZINC000095864541 HC Annotated Anodyne CCNC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccc(C(=O)N(C)C)c2)c3=O)[C@@H]1CO ZINC000095864550 HC Annotated Anodyne CCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095864771 HC Annotated Anodyne CCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095864774 HC Annotated Anodyne CCC(=O)N1CC2(CN(S(C)(=O)=O)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865112 HC Annotated Anodyne CCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865316 HC Annotated Anodyne CCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865318 HC Annotated Anodyne COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCOCC4)C[C@H]23)cc1 ZINC000095866293 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCOCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866294 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCOCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866295 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCOCC4)C[C@@H]23)cc1 ZINC000095866298 HC Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCOCC4)C[C@@H]23)cc1 ZINC000095866299 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCOCC4)C[C@H]23)cc1 ZINC000095866315 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCOCC4)C[C@@H]23)cc1 ZINC000095866316 HC Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCOCC4)C[C@@H]23)cc1 ZINC000095866317 HC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095867099 HC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095867100 HC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095867101 HC Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095867102 HC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095867112 HC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095867113 HC Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095867114 HC Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095867137 HC Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095867138 HC Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095867139 HC Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095867140 HC Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095867141 HC Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095867142 HC Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095867158 HC Annotated Mild COc1cccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)N3CCN(C)CC3)O[C@@H]2CO)c1 ZINC000095871776 HC Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)N3CCN(C)CC3)O[C@H]2CO)c1 ZINC000095871876 HC Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2CO)c1 ZINC000095872028 HC Annotated Anodyne CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@H]23)cc1 ZINC000095875405 HC Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)CN(C)C)CCCCN3[C@H]2CO)cc1 ZINC000095875406 HC Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)CN(C)C)CCCCN3[C@H]2CO)cc1 ZINC000095875407 HC Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1 ZINC000095875408 HC Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@H]23)cc1 ZINC000095875572 HC Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1 ZINC000095875573 HC Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1 ZINC000095875574 HC Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1 ZINC000095875575 HC Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095877123 HC Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095877124 HC Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@H]3CN(S(C)(=O)=O)CCCCN3[C@H]2CO)cc1 ZINC000095877125 HC Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095877126 HC Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@H]3CN(S(C)(=O)=O)CCCCN3[C@H]2CO)cc1 ZINC000095877127 HC Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095877128 HC Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095877129 HC Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095877130 HC Annotated Mild O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]2N1C(=O)C1CCC1 ZINC000095878980 HC Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@H]2N1C(=O)C1CCC1 ZINC000095878981 HC Annotated Anodyne O=C(NCC(F)(F)F)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCC1 ZINC000095879128 HC Annotated Anodyne O=C(NCC(F)(F)F)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 ZINC000095879129 HC Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1cccnc1 ZINC000095879235 HC Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1cccnc1 ZINC000095879236 HC Annotated Anodyne CC(=O)N1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCc2ccccc2C1 ZINC000095880063 HC Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@@H]2CO ZINC000095880064 HC Annotated Anodyne CCNC(=O)[C@@H]1N[C@@H]2c3ccc(-c4cccc(C(=O)N(C)C)c4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095880225 HC Annotated Anodyne CCNC(=O)[C@H]1N[C@H]2c3ccc(-c4cccc(C(=O)N(C)C)c4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095880226 HC Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1S(C)(=O)=O ZINC000095880277 HC Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1S(C)(=O)=O ZINC000095880278 HC Annotated Anodyne O=C([C@H]1N[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]2[C@@H]1CO)N1CCOCC1 ZINC000095880286 HC Annotated Anodyne O=C([C@@H]1N[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@H]1CO)N1CCOCC1 ZINC000095880287 HC Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]2N1C(=O)C1CCC1 ZINC000095880653 HC Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@H]2N1C(=O)C1CCC1 ZINC000095880654 HC Annotated Anodyne COCC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095880716 HC Annotated Anodyne COCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095880717 HC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)N(S(C)(=O)=O)[C@@H]21 ZINC000095880988 HC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(S(C)(=O)=O)[C@@H](C(=O)NC2CCC2)[C@@H]1CO ZINC000095880989 HC Annotated Anodyne CS(=O)(=O)N1[C@H](C(=O)O)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095881837 HC Annotated Anodyne CS(=O)(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)O ZINC000095881838 HC Annotated Anodyne Cn1cnc(CCNC(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3C(=O)C3CC3)O2)c1 ZINC000095884750 HC Annotated Anodyne Cn1cnc(CCNC(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)C3CC3)O2)c1 ZINC000095884751 HC Annotated Anodyne Cn1cnc(CCNC(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3C(=O)C3CC3)O2)c1 ZINC000095884752 HC Annotated Anodyne Cn1cnc(CCNC(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3C(=O)C3CC3)O2)c1 ZINC000095884753 HC Annotated Anodyne Cn1cnc(CCNC(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3C(=O)C3CC3)O2)c1 ZINC000095884754 HC Annotated Anodyne Cn1cnc(CCNC(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)C3CC3)O2)c1 ZINC000095884755 HC Annotated Anodyne Cn1cnc(CCNC(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3C(=O)C3CC3)O2)c1 ZINC000095884756 HC Annotated Anodyne Cn1cnc(CCNC(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3C(=O)C3CC3)O2)c1 ZINC000095884757 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CC2)O1)NCc1ccncc1 ZINC000095884765 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CC2)O1)NCc1ccncc1 ZINC000095884766 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CC2)O1)NCc1ccncc1 ZINC000095884767 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CC2)O1)NCc1ccncc1 ZINC000095884768 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CC2)O1)NCc1ccncc1 ZINC000095884769 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CC2)O1)NCc1ccncc1 ZINC000095884770 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CC2)O1)NCc1ccncc1 ZINC000095884771 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CC2)O1)NCc1ccncc1 ZINC000095884772 HC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095885084 HC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095885085 HC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095885086 HC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095885087 HC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095885088 HC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095885089 HC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095885090 HC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095885091 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3C(=O)C3CCCC3)O2)CC1 ZINC000095885227 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3C(=O)C3CCCC3)O2)CC1 ZINC000095885228 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)C3CCCC3)O2)CC1 ZINC000095885229 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3C(=O)C3CCCC3)O2)CC1 ZINC000095885230 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3C(=O)C3CCCC3)O2)CC1 ZINC000095885231 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)C3CCCC3)O2)CC1 ZINC000095885232 HC Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3C(=O)C3CCCC3)O2)CC1 ZINC000095885233 HC Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3C(=O)C3CCCC3)O2)CC1 ZINC000095885234 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095885608 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095885609 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095885610 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095885611 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095885612 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095885613 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095885614 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCOCC2)O1)N1CCOCC1 ZINC000095885615 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1)N1CCOCC1 ZINC000095885616 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCOCC2)O1)N1CCOCC1 ZINC000095885617 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1)N1CCOCC1 ZINC000095885618 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1)N1CCOCC1 ZINC000095885619 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1)N1CCOCC1 ZINC000095885620 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1)N1CCOCC1 ZINC000095885621 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1)N1CCOCC1 ZINC000095885622 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095885672 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095885673 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095885674 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095885675 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095885676 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)NCC1CC1 ZINC000095886312 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCC1CC1 ZINC000095886313 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCC1CC1 ZINC000095886314 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCC1CC1 ZINC000095886315 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)NCC1CC1 ZINC000095886316 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)NCC1CC1 ZINC000095886317 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000095886326 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000095886327 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000095886328 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000095886329 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000095886330 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000095886331 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000095886332 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1 ZINC000095886333 HC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2)O1 ZINC000095886363 HC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2)O1 ZINC000095886364 HC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2)O1 ZINC000095886365 HC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2)O1 ZINC000095886366 HC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2)O1 ZINC000095886367 HC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2)O1 ZINC000095886368 HC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2)O1 ZINC000095886369 HC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2)O1 ZINC000095886370 HC Annotated Anodyne O=C(O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000095886400 HC Annotated Anodyne O=C(O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000095886401 HC Annotated Anodyne O=C(O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000095886402 HC Annotated Anodyne O=C(O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000095886403 HC Annotated Anodyne O=C(O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000095886404 HC Annotated Anodyne O=C(O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000095886405 HC Annotated Anodyne O=C(O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)O1 ZINC000095886406 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095886472 HC Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095886473 HC Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1 ZINC000095886474 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1 ZINC000095886527 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1 ZINC000095886528 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1 ZINC000095886529 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1 ZINC000095886530 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1 ZINC000095886531 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1 ZINC000095886532 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1 ZINC000095886533 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1 ZINC000095886534 HC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccncn3)CC[C@H]21 ZINC000095886548 HC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccncn3)CC[C@H]21 ZINC000095886549 HC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccncn3)CC[C@@H]21 ZINC000095886550 HC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccncn3)CC[C@H]21 ZINC000095886551 HC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccncn3)CC[C@@H]21 ZINC000095886552 HC Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccncn3)CC[C@@H]21 ZINC000095886553 HC Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccncn3)CC[C@H]21 ZINC000095886554 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1 ZINC000095886827 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1 ZINC000095886828 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1 ZINC000095886829 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1 ZINC000095886830 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1 ZINC000095886831 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1 ZINC000095886832 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)N1CCOCC1 ZINC000095886833 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1 ZINC000095886834 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1 ZINC000095886835 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1 ZINC000095886836 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1 ZINC000095886837 HC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1 ZINC000095886838 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1 ZINC000095886839 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1 ZINC000095886840 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1 ZINC000095886841 HC Annotated Anodyne CN1C[C@H](O)COC[C@H]2O[C@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000095887141 HC Annotated Anodyne CN1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000095887142 HC Annotated Anodyne CN1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000095887143 HC Annotated Anodyne CN1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000095887144 HC Annotated Anodyne CN1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000095887145 HC Annotated Anodyne CN1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000095887146 HC Annotated Anodyne CN1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000095887147 HC Annotated Anodyne CS(=O)(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000095887935 HC Annotated Anodyne CS(=O)(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000095887936 HC Annotated Anodyne CS(=O)(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccccc3)CC[C@H]21 ZINC000095887937 HC Annotated Anodyne CS(=O)(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000095887938 HC Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095893626 HC Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095893627 HC Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095893628 HC Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095893629 HC Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894588 HC Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894589 HC Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894590 HC Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894591 HC Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894685 HC Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894686 HC Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894687 HC Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894688 HC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899743 HC Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)COC)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899744 HC Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899745 HC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)COC)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899746 HC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)COC)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899747 HC Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899748 HC Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)COC)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899749 HC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899750 HC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902089 HC Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902090 HC Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902091 HC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902092 HC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902093 HC Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902094 HC Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902095 HC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902096 HC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2 ZINC000095902169 HC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2 ZINC000095902170 HC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@H]1O2 ZINC000095902171 HC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@@H]1O2 ZINC000095902172 HC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095902173 HC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2 ZINC000095902174 HC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095902175 HC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2 ZINC000095902176 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095903719 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095903721 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095903724 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095903725 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095903727 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095903729 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095903731 HC Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095903733 HC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CC1 ZINC000095904026 HC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CC1 ZINC000095904028 HC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CC1 ZINC000095904029 HC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CC1 ZINC000095904030 HC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CC1 ZINC000095904031 HC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CC1 ZINC000095904032 HC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CC1 ZINC000095904033 HC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CC1 ZINC000095904034 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904204 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904205 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904206 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904207 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904208 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904209 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904210 HC Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904211 HC Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@H](CO)O2)nn1 ZINC000095904533 HC Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3)[C@H](CO)O2)nn1 ZINC000095904534 HC Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H](CO)O2)nn1 ZINC000095904536 HC Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)[C@@H](CO)O2)nn1 ZINC000095904538 HC Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@H](CO)O2)nn1 ZINC000095904539 HC Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3)[C@@H](CO)O2)nn1 ZINC000095904540 HC Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)[C@H](CO)O2)nn1 ZINC000095904541 HC Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H](CO)O2)nn1 ZINC000095904542 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]2CO)c1 ZINC000095904590 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]2CO)c1 ZINC000095904591 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)Nc3ccccc3)O[C@H]2CO)c1 ZINC000095904592 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]2CO)c1 ZINC000095904593 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)Nc3ccccc3)O[C@H]2CO)c1 ZINC000095904594 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)Nc3ccccc3)O[C@@H]2CO)c1 ZINC000095904595 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)Nc3ccccc3)O[C@H]2CO)c1 ZINC000095904596 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)Nc3ccccc3)O[C@@H]2CO)c1 ZINC000095904597 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)Nc3ccccc3)O[C@H]2CO)c1 ZINC000095904634 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)Nc3ccccc3)O[C@@H]2CO)c1 ZINC000095904635 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)Nc3ccccc3)O[C@@H]2CO)c1 ZINC000095904636 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)Nc3ccccc3)O[C@H]2CO)c1 ZINC000095904637 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)Nc3ccccc3)O[C@@H]2CO)c1 ZINC000095904638 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)Nc3ccccc3)O[C@H]2CO)c1 ZINC000095904639 HC Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)Nc3ccccc3)O[C@@H]2CO)c1 ZINC000095904640 HC Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2C=C[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)c1 ZINC000095904957 HC Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2C=C[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)c1 ZINC000095904958 HC Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2C=C[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)c1 ZINC000095904959 HC Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2C=C[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)c1 ZINC000095904960 HC Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2C=C[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)c1 ZINC000095904961 HC Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2C=C[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)c1 ZINC000095904962 HC Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2C=C[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)c1 ZINC000095904963 HC Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2C=C[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)c1 ZINC000095904964 HC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095905113 HC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095905114 HC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095905115 HC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095905116 HC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095905117 HC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095905118 HC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095905119 HC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095905120 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095905495 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095905496 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095905497 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095905498 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095905499 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095905500 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095905501 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095905502 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095905579 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095905580 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095905581 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095905582 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095905583 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095905584 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095905585 HC Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095905586 HC Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905587 HC Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905588 HC Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905589 HC Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905590 HC Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905591 HC Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905592 HC Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905593 HC Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905594 HC Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)N3CCN(C)CC3)O[C@H]2CO)c1 ZINC000095905753 HC Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@H](CC(=O)N3CCN(C)CC3)O[C@@H]2CO)c1 ZINC000095905754 HC Annotated Anodyne COc1cccc(NC(=O)N[C@@H]2C=C[C@H](CC(=O)N3CCN(C)CC3)O[C@H]2CO)c1 ZINC000095905755 HC Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@@H](CC(=O)N3CCN(C)CC3)O[C@@H]2CO)c1 ZINC000095905756 HC Annotated Anodyne COc1cccc(NC(=O)N[C@H]2C=C[C@@H](CC(=O)N3CCN(C)CC3)O[C@H]2CO)c1 ZINC000095905757 HC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO)c1cnccn1 ZINC000095905948 HC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cnccn1 ZINC000095905949 HC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO)c1cnccn1 ZINC000095905950 HC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cnccn1 ZINC000095905951 HC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO)c1cnccn1 ZINC000095905952 HC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cnccn1 ZINC000095905953 HC Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO)c1cnccn1 ZINC000095905954 HC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO)c1cnccn1 ZINC000095905955 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095905986 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095905987 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095905988 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095905989 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095905990 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095905991 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095905992 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095905993 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095906128 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095906129 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095906130 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095906131 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095906132 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095906133 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095906134 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095906135 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095906231 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095906232 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095906233 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095906234 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095906235 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095906236 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095906237 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095906333 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095906334 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095906335 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095906336 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095906337 HC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095906338 HC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095906339 HC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095906340 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)NC3CCC3)O[C@H]2CO)c1 ZINC000095906481 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)NC3CCC3)O[C@@H]2CO)c1 ZINC000095906482 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)NC3CCC3)O[C@H]2CO)c1 ZINC000095906483 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)NC3CCC3)O[C@@H]2CO)c1 ZINC000095906484 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)NC3CCC3)O[C@H]2CO)c1 ZINC000095906485 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)NC3CCC3)O[C@@H]2CO)c1 ZINC000095906486 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)NC3CCC3)O[C@H]2CO)c1 ZINC000095906487 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)NC3CCC3)O[C@@H]2CO)c1 ZINC000095906488 HC Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095906829 HC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095906830 HC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095906831 HC Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095906832 HC Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095906833 HC Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095906834 HC Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095906835 HC Annotated Anodyne CCS(=O)(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095906852 HC Annotated Anodyne CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095906853 HC Annotated Anodyne CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095906854 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NC3CCC3)O[C@H]2CO)c1 ZINC000095906892 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)NC3CCC3)O[C@@H]2CO)c1 ZINC000095906893 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)NC3CCC3)O[C@H]2CO)c1 ZINC000095906894 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)NC3CCC3)O[C@@H]2CO)c1 ZINC000095906895 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)NC3CCC3)O[C@H]2CO)c1 ZINC000095906896 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)NC3CCC3)O[C@@H]2CO)c1 ZINC000095906897 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)NC3CCC3)O[C@H]2CO)c1 ZINC000095906898 HC Annotated Anodyne COc1cccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NC3CCC3)O[C@@H]2CO)c1 ZINC000095906899 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095907103 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095907104 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095907105 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095907106 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095907107 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095907108 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095907109 HC Annotated Anodyne O=C(CN1CCOCC1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095907110 HC Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1 ZINC000095907147 HC Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1 ZINC000095907148 HC Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1 ZINC000095907149 HC Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095907180 HC Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1 ZINC000095907181 HC Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095907182 HC Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1 ZINC000095907183 HC Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1 ZINC000095907184 HC Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)CCN3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095907185 HC Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1 ZINC000095907186 HC Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)CCN3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095907187 HC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095907580 HC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095907581 HC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095907582 HC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095907583 HC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095907584 HC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095907585 HC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095907586 HC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095907587 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCCN1CCCCC1 ZINC000095907656 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1 ZINC000095907657 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCCN1CCCCC1 ZINC000095907658 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1 ZINC000095907659 HC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCCN1CCCCC1 ZINC000095907660 HC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1 ZINC000095907661 HC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCCN1CCCCC1 ZINC000095907662 HC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1 ZINC000095907663 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095908230 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095908231 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095908232 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095908233 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095908234 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095908235 HC Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095908236 HC Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000095909405 HC Annotated Mild in-vitro biogenic CCN1C[C@]2(C)[C@H](O)C[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](OC)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O ZINC000095910229 HC Annotated Anodyne in-vitro biogenic CC1=CC[C@H]2[C@@H]1[C@@H]1OC(=O)C(C)=C1CC[C@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095910243 HC Annotated Anodyne in-vitro biogenic CC(=O)OC[C@]1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@H]3[C@]23CO[C@@H](O)[C@@H]31)[C@@H](C)C4=O ZINC000095910542 HC Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC(=O)[C@H]4[C@H](C)C(=O)[C@]3([C@H](O)C[C@@H]2C1(C)C)[C@@H]4O ZINC000095910577 HC Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4[C@](C)(COC(C)=O)CC[C@@H]5O)[C@]3(C2)[C@@H]1O ZINC000095910804 HC Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H]2O ZINC000095911185 HC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)[C@@H](O)CC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000095911465 HC Annotated Mild in-vitro biogenic CCN1[C@H]2[C@@]34[C@@H]5CC[C@](C)([C@H]3[C@H](OC)[C@]2(O)[C@@]2(O)C[C@H](OC)[C@H]3C[C@@H]4[C@@H]2[C@H]3O)[C@H]1O5 ZINC000095911553 HC Annotated Anodyne in-vitro biogenic C=C1CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@@H]12 ZINC000095911723 HC Annotated Mild in-vitro biogenic CCC(=O)[C@]12N[C@@H]3C[C@@]4(C(=O)N(OC)c5cc(OC)ccc54)[C@@H]4OC[C@@H]1[C@@]32[C@H]4O ZINC000095911801 HC Annotated Anodyne in-vitro biogenic COC(=O)[C@]12CC[C@]3(C1)[C@@H]1N(CC[C@@]14c1cccc(OC)c1N[C@@]24O)C[C@@H](O)[C@@H]3O ZINC000095912648 HC Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000095912747 HC Annotated Mild in-vitro biogenic C=C1[C@@H](OC(C)=O)[C@]23C[C@@]1(O)CC[C@H]2[C@]12CO[C@](O)(CC1=O)C(C)(C)[C@H]2[C@H](O)C3=O ZINC000095912759 HC Annotated Mild in-vitro biogenic C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@@H]1C(=C)CO ZINC000095913617 HC Annotated Mild in-vitro biogenic C[C@@H]1O[C@@H](O[C@@H]2C=C(C=O)[C@](O)(C=O)[C@@]3(C)CCCC(C)(C)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O ZINC000095913760 HC Annotated Reactive in-vitro biogenic C=C1[C@H]2C[C@]3([C@@H]([C@H]4O[C@@H]24)[C@]24CC[C@@H](O)C(C)(C)[C@H]2[C@H](OC(C)=O)[C@@]3(O)OC4)[C@@H]1O ZINC000095914354 HC Annotated Mild in-vitro biogenic CO/C(C)=C1\C[C@@]2(OC1=O)[C@@H]1O[C@@H]1[C@]1(O)[C@H]3C(=O)O[C@@H]([C@@H](OC)[C@]12C)[C@@H]3C(C)C ZINC000095914389 HC Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC(=O)[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000095914597 HC Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O ZINC000095914764 HC Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](OC(C)=O)[C@@]2(O)[C@H]1[C@@H](O)[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000095914849 HC Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@@H](OC(C)=O)[C@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@H]2[C@@H]1O ZINC000095918693 HC Annotated Mild in-vitro biogenic CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@]7(OCO[C@]7(C[C@H]23)[C@@H]14)[C@@]5(O)[C@H]6O ZINC000095918896 HC Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CC[C@H](OC(C)=O)[C@@]2(C)CO[C@H](O)[C@H]21)COC3=O ZINC000095919104 HC Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CC[C@H](O)[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000095919107 HC Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000095919402 HC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2O)[C@@]12CC[C@H]4O[C@@H]1O[C@]3(O)C(=O)[C@@H]2C4(C)C ZINC000095919436 HC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1C(=O)[C@@]3(O)[C@@H]2O ZINC000095919437 HC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000095919438 HC Annotated Mild in-vitro biogenic C=CCN1[C@H](C(=O)OC)CN(Cc2cn(Cc3ccccc3)nn2)CCS1(=O)=O ZINC000096019590 HC Annotated Anodyne C=CCN1[C@@H](C(=O)OC)CN(Cc2cn(Cc3ccccc3)nn2)CCS1(=O)=O ZINC000096019591 HC Annotated Anodyne COC(=O)[C@@H]1CN(C2CC2)CCS(=O)(=O)N1Cc1cn(Cc2ccccc2)nn1 ZINC000096019805 HC Annotated Anodyne COC(=O)[C@H]1CN(C2CC2)CCS(=O)(=O)N1Cc1cn(Cc2ccccc2)nn1 ZINC000096019807 HC Annotated Anodyne CCCN1CCS(=O)(=O)N(Cc2cn(Cc3ccccc3)nn2)[C@H](C(=O)OC)C1 ZINC000096019808 HC Annotated Anodyne COc1ccc(Cn2cc(CN3C[C@H](N4CCSCC4)CS3(=O)=O)nn2)cc1 ZINC000096020845 HC Annotated Anodyne COc1ccc(Cn2cc(CN3C[C@@H](N4CCSCC4)CS3(=O)=O)nn2)cc1 ZINC000096020846 HC Annotated Anodyne CN1CCN([C@@H]2CN(Cc3cn(Cc4cccc(Cl)c4)nn3)S(=O)(=O)C2)CC1 ZINC000096020940 HC Annotated Anodyne CN1CCN([C@H]2CN(Cc3cn(Cc4cccc(Cl)c4)nn3)S(=O)(=O)C2)CC1 ZINC000096020941 HC Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@H](N4CCN(C)CC4)CS3(=O)=O)nn2)c1 ZINC000096020944 HC Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@@H](N4CCN(C)CC4)CS3(=O)=O)nn2)c1 ZINC000096020945 HC Annotated Anodyne COc1ccc(Cn2cc(CN3C[C@@H](N4CCN(C)CC4)CS3(=O)=O)nn2)cc1 ZINC000096020946 HC Annotated Anodyne COc1ccc(Cn2cc(CN3C[C@H](N4CCN(C)CC4)CS3(=O)=O)nn2)cc1 ZINC000096020947 HC Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@H](N4CCN(C)CC4)CS3(=O)=O)nn2)cc1 ZINC000096020948 HC Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@@H](N4CCN(C)CC4)CS3(=O)=O)nn2)cc1 ZINC000096020949 HC Annotated Anodyne CN1CCN([C@@H]2CN(Cc3cn(Cc4ccc(F)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000096020950 HC Annotated Anodyne CN1CCN([C@H]2CN(Cc3cn(Cc4ccc(F)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000096020951 HC Annotated Anodyne CN1CCN([C@@H]2CN(Cc3cn(Cc4ccc(Cl)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000096020952 HC Annotated Anodyne CN1CCN([C@H]2CN(Cc3cn(Cc4ccc(Cl)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000096020953 HC Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000096021284 HC Annotated Anodyne COc1cc(O)cc2c1C(=O)c1c(cc(C)c(C(=O)OC[C@@H](O)CO)c1O)C2=O ZINC000096085569 HC Annotated Clean in-vitro CCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N[C@@H](CCC(N)=O)C(=O)O ZINC000096086645 HC Annotated Bother in-vitro CNC(=O)c1c(N)n(C2CCOCC2)c2nc(C#C[C@](C)(O)COC)ccc2c1=O ZINC000096168457 HC Annotated Mild CNC(=O)c1c(N)n(C2CCOCC2)c2nc(C#C[C@@](C)(O)COC)ccc2c1=O ZINC000096168458 HC Annotated Mild CNC(=O)c1c(N)n(Cc2ccccn2)c2nc(C#C[C@](C)(O)COC)ccc2c1=O ZINC000096168461 HC Annotated Mild CNC(=O)c1c(N)n(Cc2ccccn2)c2nc(C#C[C@@](C)(O)COC)ccc2c1=O ZINC000096168462 HC Annotated Mild N#Cc1c(N)nc2c(c1N)=C(N)SC1=NC(=O)C[C@@H](c3c(F)cccc3Cl)C=21 ZINC000096295815 HC Annotated Mild N#Cc1c(N)nc2c(c1N)=C(N)SC1=NC(=O)C[C@H](c3c(F)cccc3Cl)C=21 ZINC000096295816 HC Annotated Mild C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccccc1)O[C@@H]1C[C@@H](C(=O)O)C[C@@H](O)[C@]1(O)C2=O ZINC000096902244 HC Annotated Anodyne CC[C@@H](C)SC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000096902480 HC Annotated Anodyne CC[C@H](C)SC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000096902481 HC Annotated Anodyne CC[C@H](C)SC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000096902482 HC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000096903259 HC Annotated Mild C[C@@H]1O[C@@H](O[C@H](C)CCCCC(=O)NCCCN2CCCC2=O)[C@H](O)C[C@H]1O ZINC000096903387 HC Annotated Anodyne C=C1[C@@H]2C(=O)C[C@H]3[C@]4(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]4C[C@@H](O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000096903650 HC Annotated Mild O=CC[C@H]1S[C@@H](COC(=O)[C@@H]2CCCN2)[C@@H](COC(=O)[C@@H]2CCCN2)S1 ZINC000096903828 HC Annotated Mild Nc1ccn([C@@H]2O[C@@](CO)(n3cc(CC4CCCCC4)nn3)[C@@H](O)[C@@H]2F)c(=O)n1 ZINC000096906518 HC Annotated Anodyne CCc1ccc(-c2cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@@H](F)[C@@H]3O)nn2)cc1 ZINC000096907637 HC Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000096908930 HC Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000096908931 HC Annotated Anodyne O=C(c1cnc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)s1)C12CC3CC(CC(C3)C1)C2 ZINC000096908983 HC Annotated Anodyne CN1CC[C@@]2(O)[C@@H]1[C@@H]1c3cc4c(cc3C(=O)O[C@@H]1[C@@H](O)[C@H]2Br)OCO4 ZINC000096909159 HC Annotated Reactive O=C(Cn1cncn1)N/N=C/c1ccccc1OC(=O)/C=C1/SC(=O)NC1=O ZINC000096911503 HC Annotated Reactive COC(=O)CSC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C=C1SCC(=O)OC ZINC000096916985 HC Annotated Anodyne O=C(Nc1nc2ccc(F)cc2s1)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1O[C@@H]1C(=O)O ZINC000096917576 HC Annotated Anodyne O=C(Nc1nc2ccc(F)cc2s1)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1O[C@H]1C(=O)O ZINC000096917578 HC Annotated Anodyne O[C@H]1[C@H](O)CO[C@@H](OCCOCCOCCOc2ccc3ccccc3c2)[C@@H]1O ZINC000096929402 HC Annotated Anodyne CN(NC(=O)CC(=O)NN(C)C(=S)c1ccncc1)C(=S)c1ccncc1 ZINC000096929525 HC Annotated Reactive COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-] ZINC000096933368 HC Annotated Clean COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-] ZINC000096933369 HC Annotated Clean NC(=O)N1CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CCO1 ZINC000096933625 HC Annotated Anodyne O=CN1CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CCN1 ZINC000096933722 HC Annotated Anodyne COc1ccc(C(=O)NCC(=O)OCCn2c(=O)c3ccccc3n(C)c2=O)cc1 ZINC000096934409 HC Annotated Anodyne C[C@@H](O)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC=N ZINC000098208438 HC Annotated Anodyne